USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 712 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 ASN : amide:sc= -0.42 K(o=-0.42,f=-2.8!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0351 USER MOD Single : A 12 TYR OH : rot 92:sc= 1.02 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0589) USER MOD Single : A 22 ASN : amide:sc= -1.73 K(o=-1.7,f=-9.4!) USER MOD Single : A 23 TYR OH : rot -29:sc= 0.663 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.11) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0971 K(o=-0.097,f=-2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.36) USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 90 SER OG : rot 122:sc= 1.99 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0586 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 94:sc= 0.571 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 101 HIS : no HE2:sc= 0.235 K(o=0.23,f=-2.4!) USER MOD Single : A 102 TYR OH : rot 180:sc= -0.272 USER MOD Single : A 104 THR OG1 : rot 38:sc= 0.607 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0332 USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 3 7.725 -0.876 9.675 1.00 0.00 N ATOM 28 CA ILE A 3 6.352 -1.324 9.839 1.00 0.00 C ATOM 29 C ILE A 3 5.893 -2.023 8.558 1.00 0.00 C ATOM 30 O ILE A 3 6.048 -1.486 7.463 1.00 0.00 O ATOM 31 CB ILE A 3 5.455 -0.158 10.258 1.00 0.00 C ATOM 32 CG1 ILE A 3 6.175 0.760 11.249 1.00 0.00 C ATOM 33 CG2 ILE A 3 4.121 -0.664 10.812 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.261 1.898 11.706 1.00 0.00 C ATOM 0 HA ILE A 3 6.283 -2.055 10.645 1.00 0.00 H new ATOM 0 HB ILE A 3 5.232 0.436 9.372 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.502 0.182 12.113 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.070 1.172 10.784 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.502 0.185 11.102 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.605 -1.244 10.046 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.304 -1.294 11.682 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.797 2.535 12.409 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.955 2.488 10.842 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.378 1.483 12.193 1.00 0.00 H new ATOM 46 N ASN A 4 5.336 -3.212 8.738 1.00 0.00 N ATOM 47 CA ASN A 4 5.123 -4.116 7.621 1.00 0.00 C ATOM 48 C ASN A 4 4.044 -5.134 7.993 1.00 0.00 C ATOM 49 O ASN A 4 4.146 -6.309 7.643 1.00 0.00 O ATOM 50 CB ASN A 4 6.402 -4.885 7.282 1.00 0.00 C ATOM 51 CG ASN A 4 6.776 -5.849 8.409 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.641 -5.553 9.585 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.254 -7.016 7.986 1.00 0.00 N ATOM 0 H ASN A 4 5.026 -3.570 9.641 1.00 0.00 H new ATOM 0 HA ASN A 4 4.821 -3.521 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.262 -5.441 6.355 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.219 -4.183 7.113 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.533 -7.728 8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.341 -7.199 6.986 1.00 0.00 H new ATOM 60 N THR A 5 3.033 -4.647 8.698 1.00 0.00 N ATOM 61 CA THR A 5 1.879 -5.469 9.018 1.00 0.00 C ATOM 62 C THR A 5 0.584 -4.705 8.732 1.00 0.00 C ATOM 63 O THR A 5 0.569 -3.475 8.746 1.00 0.00 O ATOM 64 CB THR A 5 2.009 -5.921 10.474 1.00 0.00 C ATOM 65 OG1 THR A 5 1.908 -4.713 11.223 1.00 0.00 O ATOM 66 CG2 THR A 5 3.408 -6.447 10.801 1.00 0.00 C ATOM 0 H THR A 5 2.990 -3.693 9.057 1.00 0.00 H new ATOM 0 HA THR A 5 1.840 -6.358 8.389 1.00 0.00 H new ATOM 0 HB THR A 5 1.272 -6.697 10.680 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.980 -4.914 12.179 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.446 -6.754 11.846 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.634 -7.301 10.163 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.142 -5.660 10.627 1.00 0.00 H new ATOM 74 N PHE A 6 -0.471 -5.466 8.480 1.00 0.00 N ATOM 75 CA PHE A 6 -1.732 -4.881 8.057 1.00 0.00 C ATOM 76 C PHE A 6 -2.297 -3.956 9.137 1.00 0.00 C ATOM 77 O PHE A 6 -2.691 -2.828 8.849 1.00 0.00 O ATOM 78 CB PHE A 6 -2.708 -6.037 7.830 1.00 0.00 C ATOM 79 CG PHE A 6 -2.360 -6.917 6.628 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.610 -6.476 5.366 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.800 -8.142 6.821 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.287 -7.293 4.251 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.477 -8.959 5.706 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.727 -8.518 4.444 1.00 0.00 C ATOM 0 H PHE A 6 -0.478 -6.483 8.561 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.583 -4.291 7.153 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.735 -6.657 8.726 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.710 -5.631 7.692 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.054 -5.504 5.212 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.601 -8.493 7.823 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.486 -6.942 3.249 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.033 -9.931 5.860 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.481 -9.140 3.596 1.00 0.00 H new ATOM 94 N ASP A 7 -2.318 -4.470 10.359 1.00 0.00 N ATOM 95 CA ASP A 7 -2.830 -3.705 11.483 1.00 0.00 C ATOM 96 C ASP A 7 -1.869 -2.555 11.791 1.00 0.00 C ATOM 97 O ASP A 7 -2.301 -1.455 12.132 1.00 0.00 O ATOM 98 CB ASP A 7 -2.941 -4.576 12.736 1.00 0.00 C ATOM 99 CG ASP A 7 -3.815 -5.822 12.582 1.00 0.00 C ATOM 100 OD1 ASP A 7 -3.405 -6.711 11.804 1.00 0.00 O ATOM 101 OD2 ASP A 7 -4.874 -5.859 13.245 1.00 0.00 O ATOM 0 H ASP A 7 -1.989 -5.406 10.595 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.818 -3.331 11.215 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.940 -4.887 13.033 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.340 -3.969 13.548 1.00 0.00 H new ATOM 106 N GLY A 8 -0.583 -2.849 11.660 1.00 0.00 N ATOM 107 CA GLY A 8 0.445 -1.921 12.099 1.00 0.00 C ATOM 108 C GLY A 8 0.445 -0.655 11.240 1.00 0.00 C ATOM 109 O GLY A 8 0.343 0.454 11.762 1.00 0.00 O ATOM 0 H GLY A 8 -0.230 -3.717 11.256 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.279 -1.656 13.143 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.422 -2.402 12.044 1.00 0.00 H new ATOM 113 N VAL A 9 0.560 -0.863 9.936 1.00 0.00 N ATOM 114 CA VAL A 9 0.591 0.248 9.001 1.00 0.00 C ATOM 115 C VAL A 9 -0.745 0.992 9.053 1.00 0.00 C ATOM 116 O VAL A 9 -0.778 2.221 9.016 1.00 0.00 O ATOM 117 CB VAL A 9 0.940 -0.257 7.599 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.809 0.863 6.565 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.341 -0.870 7.570 1.00 0.00 C ATOM 0 H VAL A 9 0.633 -1.785 9.506 1.00 0.00 H new ATOM 0 HA VAL A 9 1.369 0.959 9.279 1.00 0.00 H new ATOM 0 HB VAL A 9 0.227 -1.039 7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.063 0.478 5.577 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.216 1.234 6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.487 1.677 6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.564 -1.221 6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.073 -0.118 7.863 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.386 -1.709 8.264 1.00 0.00 H new ATOM 129 N ALA A 10 -1.815 0.215 9.139 1.00 0.00 N ATOM 130 CA ALA A 10 -3.150 0.784 9.203 1.00 0.00 C ATOM 131 C ALA A 10 -3.235 1.744 10.392 1.00 0.00 C ATOM 132 O ALA A 10 -3.822 2.819 10.286 1.00 0.00 O ATOM 133 CB ALA A 10 -4.182 -0.342 9.289 1.00 0.00 C ATOM 0 H ALA A 10 -1.784 -0.804 9.166 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.366 1.356 8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.184 0.085 9.337 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.101 -0.978 8.408 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.998 -0.937 10.184 1.00 0.00 H new ATOM 139 N ASP A 11 -2.639 1.319 11.497 1.00 0.00 N ATOM 140 CA ASP A 11 -2.688 2.101 12.721 1.00 0.00 C ATOM 141 C ASP A 11 -1.907 3.402 12.522 1.00 0.00 C ATOM 142 O ASP A 11 -2.317 4.456 13.005 1.00 0.00 O ATOM 143 CB ASP A 11 -2.052 1.341 13.886 1.00 0.00 C ATOM 144 CG ASP A 11 -3.037 0.823 14.936 1.00 0.00 C ATOM 145 OD1 ASP A 11 -3.890 -0.007 14.553 1.00 0.00 O ATOM 146 OD2 ASP A 11 -2.915 1.269 16.097 1.00 0.00 O ATOM 0 H ASP A 11 -2.120 0.444 11.570 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.734 2.303 12.951 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.493 0.495 13.486 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.332 1.996 14.377 1.00 0.00 H new ATOM 151 N TYR A 12 -0.796 3.284 11.811 1.00 0.00 N ATOM 152 CA TYR A 12 0.091 4.418 11.616 1.00 0.00 C ATOM 153 C TYR A 12 -0.547 5.462 10.697 1.00 0.00 C ATOM 154 O TYR A 12 -0.333 6.661 10.871 1.00 0.00 O ATOM 155 CB TYR A 12 1.346 3.861 10.941 1.00 0.00 C ATOM 156 CG TYR A 12 2.543 4.813 10.969 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.695 5.761 9.978 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.472 4.724 11.987 1.00 0.00 C ATOM 159 CE1 TYR A 12 3.822 6.657 10.004 1.00 0.00 C ATOM 160 CE2 TYR A 12 4.598 5.620 12.013 1.00 0.00 C ATOM 161 CZ TYR A 12 4.718 6.542 11.021 1.00 0.00 C ATOM 162 OH TYR A 12 5.782 7.389 11.046 1.00 0.00 O ATOM 0 H TYR A 12 -0.490 2.421 11.363 1.00 0.00 H new ATOM 0 HA TYR A 12 0.308 4.903 12.568 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.625 2.928 11.430 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.111 3.619 9.904 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.968 5.831 9.182 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.354 3.982 12.763 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.953 7.403 9.234 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.332 5.561 12.803 1.00 0.00 H new ATOM 0 HH TYR A 12 5.559 8.179 11.582 1.00 0.00 H new ATOM 172 N LEU A 13 -1.317 4.968 9.739 1.00 0.00 N ATOM 173 CA LEU A 13 -2.123 5.841 8.903 1.00 0.00 C ATOM 174 C LEU A 13 -3.043 6.683 9.790 1.00 0.00 C ATOM 175 O LEU A 13 -3.016 7.911 9.729 1.00 0.00 O ATOM 176 CB LEU A 13 -2.868 5.029 7.842 1.00 0.00 C ATOM 177 CG LEU A 13 -2.067 4.667 6.589 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.352 3.228 6.154 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.328 5.669 5.463 1.00 0.00 C ATOM 0 H LEU A 13 -1.400 3.975 9.523 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.487 6.534 8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.222 4.106 8.302 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.750 5.592 7.535 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.006 4.726 6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.771 2.996 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.075 2.544 6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.414 3.118 5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.747 5.389 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.389 5.666 5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.035 6.667 5.789 1.00 0.00 H new ATOM 191 N ILE A 14 -3.834 5.988 10.594 1.00 0.00 N ATOM 192 CA ILE A 14 -4.799 6.654 11.452 1.00 0.00 C ATOM 193 C ILE A 14 -4.079 7.695 12.312 1.00 0.00 C ATOM 194 O ILE A 14 -4.584 8.798 12.511 1.00 0.00 O ATOM 195 CB ILE A 14 -5.592 5.628 12.265 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.584 4.875 11.377 1.00 0.00 C ATOM 197 CG2 ILE A 14 -6.280 6.289 13.461 1.00 0.00 C ATOM 198 CD1 ILE A 14 -7.858 5.694 11.160 1.00 0.00 C ATOM 0 H ILE A 14 -3.826 4.971 10.669 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.535 7.189 10.852 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.893 4.893 12.663 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.121 4.654 10.415 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.836 3.919 11.837 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.836 5.538 14.022 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.529 6.742 14.108 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.966 7.059 13.107 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.546 5.135 10.525 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.331 5.892 12.122 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.606 6.639 10.678 1.00 0.00 H new ATOM 210 N ARG A 15 -2.909 7.307 12.797 1.00 0.00 N ATOM 211 CA ARG A 15 -2.194 8.120 13.767 1.00 0.00 C ATOM 212 C ARG A 15 -1.691 9.408 13.112 1.00 0.00 C ATOM 213 O ARG A 15 -2.141 10.500 13.456 1.00 0.00 O ATOM 214 CB ARG A 15 -1.005 7.357 14.355 1.00 0.00 C ATOM 215 CG ARG A 15 -0.781 7.737 15.820 1.00 0.00 C ATOM 216 CD ARG A 15 0.396 6.960 16.414 1.00 0.00 C ATOM 217 NE ARG A 15 0.484 7.211 17.870 1.00 0.00 N ATOM 218 CZ ARG A 15 -0.217 6.537 18.792 1.00 0.00 C ATOM 219 NH1 ARG A 15 -1.157 5.662 18.412 1.00 0.00 N ATOM 220 NH2 ARG A 15 0.022 6.740 20.095 1.00 0.00 N ATOM 0 H ARG A 15 -2.438 6.441 12.537 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.888 8.364 14.571 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.182 6.284 14.277 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.107 7.575 13.777 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.591 8.807 15.897 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.684 7.532 16.395 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.270 5.894 16.227 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.324 7.261 15.928 1.00 0.00 H new ATOM 0 HE ARG A 15 1.118 7.943 18.192 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.340 5.508 17.420 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.690 5.149 19.114 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.737 7.407 20.384 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.511 6.227 20.797 1.00 0.00 H new ATOM 234 N TYR A 16 -0.765 9.238 12.180 1.00 0.00 N ATOM 235 CA TYR A 16 -0.015 10.366 11.656 1.00 0.00 C ATOM 236 C TYR A 16 -0.696 10.949 10.416 1.00 0.00 C ATOM 237 O TYR A 16 -0.258 11.968 9.884 1.00 0.00 O ATOM 238 CB TYR A 16 1.355 9.813 11.257 1.00 0.00 C ATOM 239 CG TYR A 16 2.332 9.669 12.426 1.00 0.00 C ATOM 240 CD1 TYR A 16 1.861 9.677 13.724 1.00 0.00 C ATOM 241 CD2 TYR A 16 3.683 9.531 12.183 1.00 0.00 C ATOM 242 CE1 TYR A 16 2.781 9.541 14.824 1.00 0.00 C ATOM 243 CE2 TYR A 16 4.602 9.395 13.283 1.00 0.00 C ATOM 244 CZ TYR A 16 4.106 9.406 14.549 1.00 0.00 C ATOM 245 OH TYR A 16 4.974 9.278 15.588 1.00 0.00 O ATOM 0 H TYR A 16 -0.517 8.336 11.774 1.00 0.00 H new ATOM 0 HA TYR A 16 0.054 11.159 12.400 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.220 8.839 10.788 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.796 10.469 10.507 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.803 9.785 13.914 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.051 9.525 11.168 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.427 9.546 15.844 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.662 9.287 13.106 1.00 0.00 H new ATOM 0 HH TYR A 16 5.887 9.189 15.243 1.00 0.00 H new ATOM 255 N LYS A 17 -1.757 10.278 9.993 1.00 0.00 N ATOM 256 CA LYS A 17 -2.478 10.692 8.801 1.00 0.00 C ATOM 257 C LYS A 17 -1.539 10.634 7.595 1.00 0.00 C ATOM 258 O LYS A 17 -1.600 11.490 6.714 1.00 0.00 O ATOM 259 CB LYS A 17 -3.121 12.065 9.014 1.00 0.00 C ATOM 260 CG LYS A 17 -4.146 12.020 10.149 1.00 0.00 C ATOM 261 CD LYS A 17 -3.639 12.781 11.376 1.00 0.00 C ATOM 262 CE LYS A 17 -4.552 12.547 12.581 1.00 0.00 C ATOM 263 NZ LYS A 17 -5.888 13.137 12.342 1.00 0.00 N ATOM 0 H LYS A 17 -2.135 9.450 10.454 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.301 10.007 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.350 12.800 9.245 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.606 12.390 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.087 12.453 9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.351 10.984 10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.625 12.459 11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.591 13.847 11.153 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.649 11.478 12.769 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.107 12.989 13.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.473 13.029 13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.786 14.147 12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.345 12.650 11.545 1.00 0.00 H new ATOM 277 N ARG A 18 -0.691 9.615 7.595 1.00 0.00 N ATOM 278 CA ARG A 18 0.095 9.296 6.415 1.00 0.00 C ATOM 279 C ARG A 18 0.770 7.933 6.580 1.00 0.00 C ATOM 280 O ARG A 18 0.710 7.332 7.651 1.00 0.00 O ATOM 281 CB ARG A 18 1.165 10.361 6.162 1.00 0.00 C ATOM 282 CG ARG A 18 1.922 10.694 7.449 1.00 0.00 C ATOM 283 CD ARG A 18 3.235 11.416 7.141 1.00 0.00 C ATOM 284 NE ARG A 18 2.957 12.747 6.557 1.00 0.00 N ATOM 285 CZ ARG A 18 3.898 13.560 6.057 1.00 0.00 C ATOM 286 NH1 ARG A 18 5.190 13.213 6.130 1.00 0.00 N ATOM 287 NH2 ARG A 18 3.546 14.718 5.483 1.00 0.00 N ATOM 0 H ARG A 18 -0.531 9.000 8.393 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.583 9.268 5.562 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.865 10.006 5.406 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.699 11.263 5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.300 11.320 8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.128 9.777 8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.822 11.526 8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.831 10.823 6.448 1.00 0.00 H new ATOM 0 HE ARG A 18 1.988 13.066 6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.457 12.330 6.566 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.906 13.831 5.750 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.562 14.981 5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.262 15.337 5.102 1.00 0.00 H new ATOM 301 N LEU A 19 1.399 7.486 5.503 1.00 0.00 N ATOM 302 CA LEU A 19 2.212 6.283 5.556 1.00 0.00 C ATOM 303 C LEU A 19 3.470 6.559 6.382 1.00 0.00 C ATOM 304 O LEU A 19 3.794 7.713 6.659 1.00 0.00 O ATOM 305 CB LEU A 19 2.504 5.770 4.144 1.00 0.00 C ATOM 306 CG LEU A 19 1.361 5.025 3.452 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.685 4.772 1.978 1.00 0.00 C ATOM 308 CD2 LEU A 19 1.022 3.730 4.195 1.00 0.00 C ATOM 0 H LEU A 19 1.362 7.936 4.588 1.00 0.00 H new ATOM 0 HA LEU A 19 1.671 5.480 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.787 6.619 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.368 5.107 4.191 1.00 0.00 H new ATOM 0 HG LEU A 19 0.473 5.656 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.856 4.241 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.839 5.724 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.591 4.170 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.206 3.219 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.899 3.083 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.719 3.965 5.215 1.00 0.00 H new ATOM 320 N PRO A 20 4.162 5.452 6.763 1.00 0.00 N ATOM 321 CA PRO A 20 5.540 5.549 7.212 1.00 0.00 C ATOM 322 C PRO A 20 6.487 5.779 6.033 1.00 0.00 C ATOM 323 O PRO A 20 6.101 5.602 4.879 1.00 0.00 O ATOM 324 CB PRO A 20 5.808 4.244 7.944 1.00 0.00 C ATOM 325 CG PRO A 20 4.732 3.277 7.479 1.00 0.00 C ATOM 326 CD PRO A 20 3.653 4.084 6.774 1.00 0.00 C ATOM 0 HA PRO A 20 5.709 6.401 7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.802 3.863 7.712 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.765 4.386 9.024 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.154 2.532 6.804 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.312 2.737 8.327 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.481 3.717 5.762 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.702 4.020 7.302 1.00 0.00 H new ATOM 334 N ASP A 21 7.709 6.170 6.363 1.00 0.00 N ATOM 335 CA ASP A 21 8.626 6.686 5.362 1.00 0.00 C ATOM 336 C ASP A 21 9.442 5.530 4.778 1.00 0.00 C ATOM 337 O ASP A 21 10.341 5.747 3.968 1.00 0.00 O ATOM 338 CB ASP A 21 9.603 7.691 5.976 1.00 0.00 C ATOM 339 CG ASP A 21 10.443 8.477 4.966 1.00 0.00 C ATOM 340 OD1 ASP A 21 9.827 9.231 4.182 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.680 8.305 5.001 1.00 0.00 O ATOM 0 H ASP A 21 8.085 6.140 7.311 1.00 0.00 H new ATOM 0 HA ASP A 21 8.037 7.180 4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.039 8.398 6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.275 7.157 6.648 1.00 0.00 H new ATOM 346 N ASN A 22 9.098 4.327 5.214 1.00 0.00 N ATOM 347 CA ASN A 22 9.758 3.134 4.713 1.00 0.00 C ATOM 348 C ASN A 22 9.253 2.832 3.300 1.00 0.00 C ATOM 349 O ASN A 22 9.879 2.073 2.562 1.00 0.00 O ATOM 350 CB ASN A 22 9.448 1.922 5.594 1.00 0.00 C ATOM 351 CG ASN A 22 7.940 1.690 5.697 1.00 0.00 C ATOM 352 OD1 ASN A 22 7.132 2.569 5.447 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.606 0.460 6.078 1.00 0.00 N ATOM 0 H ASN A 22 8.371 4.153 5.908 1.00 0.00 H new ATOM 0 HA ASN A 22 10.833 3.317 4.716 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.928 1.035 5.181 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.865 2.076 6.589 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.623 0.206 6.176 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.333 -0.229 6.272 1.00 0.00 H new ATOM 360 N TYR A 23 8.125 3.442 2.967 1.00 0.00 N ATOM 361 CA TYR A 23 7.536 3.259 1.651 1.00 0.00 C ATOM 362 C TYR A 23 7.960 4.381 0.700 1.00 0.00 C ATOM 363 O TYR A 23 7.632 5.545 0.922 1.00 0.00 O ATOM 364 CB TYR A 23 6.021 3.325 1.854 1.00 0.00 C ATOM 365 CG TYR A 23 5.443 2.128 2.611 1.00 0.00 C ATOM 366 CD1 TYR A 23 5.538 0.860 2.074 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.825 2.316 3.831 1.00 0.00 C ATOM 368 CE1 TYR A 23 4.993 -0.267 2.786 1.00 0.00 C ATOM 369 CE2 TYR A 23 4.281 1.189 4.544 1.00 0.00 C ATOM 370 CZ TYR A 23 4.392 -0.047 3.986 1.00 0.00 C ATOM 371 OH TYR A 23 3.877 -1.111 4.659 1.00 0.00 O ATOM 0 H TYR A 23 7.603 4.063 3.585 1.00 0.00 H new ATOM 0 HA TYR A 23 7.859 2.314 1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.777 4.238 2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.537 3.394 0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.021 0.713 1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.749 3.308 4.251 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.060 -1.264 2.376 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.796 1.322 5.500 1.00 0.00 H new ATOM 0 HH TYR A 23 3.603 -1.801 4.019 1.00 0.00 H new ATOM 381 N ILE A 24 8.683 3.990 -0.339 1.00 0.00 N ATOM 382 CA ILE A 24 8.887 4.866 -1.480 1.00 0.00 C ATOM 383 C ILE A 24 7.809 4.589 -2.530 1.00 0.00 C ATOM 384 O ILE A 24 7.076 3.606 -2.428 1.00 0.00 O ATOM 385 CB ILE A 24 10.315 4.726 -2.014 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.573 3.307 -2.525 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.338 5.151 -0.959 1.00 0.00 C ATOM 388 CD1 ILE A 24 11.731 3.287 -3.525 1.00 0.00 C ATOM 0 H ILE A 24 9.135 3.079 -0.415 1.00 0.00 H new ATOM 0 HA ILE A 24 8.782 5.909 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 24 10.430 5.399 -2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.801 2.650 -1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.672 2.918 -2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.344 5.042 -1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.168 6.192 -0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.232 4.522 -0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.894 2.267 -3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.489 3.926 -4.374 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.636 3.654 -3.041 1.00 0.00 H new ATOM 400 N THR A 25 7.746 5.474 -3.514 1.00 0.00 N ATOM 401 CA THR A 25 6.784 5.325 -4.593 1.00 0.00 C ATOM 402 C THR A 25 7.381 4.492 -5.729 1.00 0.00 C ATOM 403 O THR A 25 8.585 4.240 -5.752 1.00 0.00 O ATOM 404 CB THR A 25 6.345 6.724 -5.032 1.00 0.00 C ATOM 405 OG1 THR A 25 7.517 7.520 -4.876 1.00 0.00 O ATOM 406 CG2 THR A 25 5.338 7.351 -4.066 1.00 0.00 C ATOM 0 H THR A 25 8.345 6.296 -3.587 1.00 0.00 H new ATOM 0 HA THR A 25 5.900 4.780 -4.262 1.00 0.00 H new ATOM 0 HB THR A 25 5.908 6.671 -6.029 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.323 8.443 -5.140 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.059 8.342 -4.424 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.449 6.723 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.787 7.435 -3.076 1.00 0.00 H new ATOM 414 N LYS A 26 6.512 4.087 -6.643 1.00 0.00 N ATOM 415 CA LYS A 26 6.952 3.370 -7.828 1.00 0.00 C ATOM 416 C LYS A 26 8.021 4.193 -8.549 1.00 0.00 C ATOM 417 O LYS A 26 9.015 3.646 -9.025 1.00 0.00 O ATOM 418 CB LYS A 26 5.755 3.009 -8.711 1.00 0.00 C ATOM 419 CG LYS A 26 4.921 1.895 -8.075 1.00 0.00 C ATOM 420 CD LYS A 26 3.605 1.696 -8.830 1.00 0.00 C ATOM 421 CE LYS A 26 3.856 1.134 -10.230 1.00 0.00 C ATOM 422 NZ LYS A 26 3.650 2.182 -11.254 1.00 0.00 N ATOM 0 H LYS A 26 5.505 4.242 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 26 7.412 2.422 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.133 3.891 -8.865 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.106 2.691 -9.693 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.489 0.965 -8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.713 2.141 -7.034 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.960 1.017 -8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.077 2.647 -8.905 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.873 0.748 -10.296 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.184 0.297 -10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.825 1.783 -12.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.672 2.532 -11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.309 2.969 -11.083 1.00 0.00 H new ATOM 436 N SER A 27 7.781 5.495 -8.607 1.00 0.00 N ATOM 437 CA SER A 27 8.615 6.375 -9.408 1.00 0.00 C ATOM 438 C SER A 27 10.066 6.301 -8.929 1.00 0.00 C ATOM 439 O SER A 27 10.992 6.299 -9.739 1.00 0.00 O ATOM 440 CB SER A 27 8.110 7.818 -9.349 1.00 0.00 C ATOM 441 OG SER A 27 6.753 7.926 -9.770 1.00 0.00 O ATOM 0 H SER A 27 7.021 5.962 -8.112 1.00 0.00 H new ATOM 0 HA SER A 27 8.564 6.043 -10.445 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.205 8.194 -8.330 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.737 8.448 -9.981 1.00 0.00 H new ATOM 0 HG SER A 27 6.467 8.862 -9.716 1.00 0.00 H new ATOM 447 N GLN A 28 10.219 6.241 -7.614 1.00 0.00 N ATOM 448 CA GLN A 28 11.541 6.286 -7.012 1.00 0.00 C ATOM 449 C GLN A 28 12.266 4.956 -7.223 1.00 0.00 C ATOM 450 O GLN A 28 13.455 4.936 -7.538 1.00 0.00 O ATOM 451 CB GLN A 28 11.454 6.634 -5.525 1.00 0.00 C ATOM 452 CG GLN A 28 10.887 8.040 -5.322 1.00 0.00 C ATOM 453 CD GLN A 28 11.894 9.105 -5.761 1.00 0.00 C ATOM 454 OE1 GLN A 28 12.856 9.408 -5.075 1.00 0.00 O ATOM 455 NE2 GLN A 28 11.620 9.655 -6.941 1.00 0.00 N ATOM 0 H GLN A 28 9.450 6.162 -6.949 1.00 0.00 H new ATOM 0 HA GLN A 28 12.116 7.072 -7.502 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.823 5.907 -5.014 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.444 6.569 -5.074 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.964 8.150 -5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.633 8.186 -4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.798 9.355 -7.465 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.232 10.376 -7.322 1.00 0.00 H new ATOM 464 N ALA A 29 11.520 3.876 -7.041 1.00 0.00 N ATOM 465 CA ALA A 29 12.047 2.549 -7.306 1.00 0.00 C ATOM 466 C ALA A 29 12.527 2.476 -8.757 1.00 0.00 C ATOM 467 O ALA A 29 13.607 1.955 -9.032 1.00 0.00 O ATOM 468 CB ALA A 29 10.976 1.502 -6.993 1.00 0.00 C ATOM 0 H ALA A 29 10.554 3.894 -6.713 1.00 0.00 H new ATOM 0 HA ALA A 29 12.903 2.341 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.372 0.506 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.690 1.576 -5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.102 1.677 -7.620 1.00 0.00 H new ATOM 474 N SER A 30 11.702 3.006 -9.648 1.00 0.00 N ATOM 475 CA SER A 30 11.964 2.891 -11.072 1.00 0.00 C ATOM 476 C SER A 30 13.229 3.672 -11.436 1.00 0.00 C ATOM 477 O SER A 30 14.042 3.205 -12.232 1.00 0.00 O ATOM 478 CB SER A 30 10.775 3.395 -11.893 1.00 0.00 C ATOM 479 OG SER A 30 9.929 2.330 -12.317 1.00 0.00 O ATOM 0 H SER A 30 10.851 3.516 -9.411 1.00 0.00 H new ATOM 0 HA SER A 30 12.114 1.838 -11.308 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.197 4.102 -11.298 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.140 3.937 -12.765 1.00 0.00 H new ATOM 0 HG SER A 30 9.181 2.693 -12.836 1.00 0.00 H new ATOM 485 N ALA A 31 13.355 4.846 -10.835 1.00 0.00 N ATOM 486 CA ALA A 31 14.493 5.706 -11.106 1.00 0.00 C ATOM 487 C ALA A 31 15.785 4.954 -10.781 1.00 0.00 C ATOM 488 O ALA A 31 16.777 5.078 -11.497 1.00 0.00 O ATOM 489 CB ALA A 31 14.356 7.002 -10.305 1.00 0.00 C ATOM 0 H ALA A 31 12.687 5.221 -10.161 1.00 0.00 H new ATOM 0 HA ALA A 31 14.526 5.977 -12.161 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.210 7.648 -10.508 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.438 7.513 -10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.322 6.770 -9.241 1.00 0.00 H new ATOM 495 N LEU A 32 15.730 4.190 -9.700 1.00 0.00 N ATOM 496 CA LEU A 32 16.902 3.467 -9.234 1.00 0.00 C ATOM 497 C LEU A 32 17.172 2.286 -10.169 1.00 0.00 C ATOM 498 O LEU A 32 18.303 1.813 -10.266 1.00 0.00 O ATOM 499 CB LEU A 32 16.735 3.064 -7.767 1.00 0.00 C ATOM 500 CG LEU A 32 16.693 4.213 -6.757 1.00 0.00 C ATOM 501 CD1 LEU A 32 16.071 3.758 -5.436 1.00 0.00 C ATOM 502 CD2 LEU A 32 18.083 4.820 -6.558 1.00 0.00 C ATOM 0 H LEU A 32 14.893 4.056 -9.133 1.00 0.00 H new ATOM 0 HA LEU A 32 17.783 4.108 -9.266 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.814 2.488 -7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.556 2.399 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 32 16.054 4.999 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.053 4.593 -4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.053 3.411 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.663 2.945 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.024 5.634 -5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.765 4.054 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.452 5.205 -7.509 1.00 0.00 H new ATOM 514 N GLY A 33 16.114 1.844 -10.833 1.00 0.00 N ATOM 515 CA GLY A 33 16.245 0.815 -11.850 1.00 0.00 C ATOM 516 C GLY A 33 15.521 -0.466 -11.430 1.00 0.00 C ATOM 517 O GLY A 33 15.993 -1.568 -11.702 1.00 0.00 O ATOM 0 H GLY A 33 15.162 2.180 -10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 33 15.835 1.176 -12.793 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.300 0.601 -12.022 1.00 0.00 H new ATOM 521 N TRP A 34 14.386 -0.277 -10.773 1.00 0.00 N ATOM 522 CA TRP A 34 13.512 -1.394 -10.453 1.00 0.00 C ATOM 523 C TRP A 34 12.609 -1.649 -11.661 1.00 0.00 C ATOM 524 O TRP A 34 12.049 -0.714 -12.231 1.00 0.00 O ATOM 525 CB TRP A 34 12.728 -1.125 -9.167 1.00 0.00 C ATOM 526 CG TRP A 34 11.485 -2.001 -9.001 1.00 0.00 C ATOM 527 CD1 TRP A 34 11.431 -3.319 -8.762 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.111 -1.567 -9.071 1.00 0.00 C ATOM 529 NE1 TRP A 34 10.128 -3.763 -8.673 1.00 0.00 N ATOM 530 CE2 TRP A 34 9.299 -2.664 -8.868 1.00 0.00 C ATOM 531 CE3 TRP A 34 9.571 -0.289 -9.299 1.00 0.00 C ATOM 532 CZ2 TRP A 34 7.901 -2.595 -8.872 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.172 -0.236 -9.300 1.00 0.00 C ATOM 534 CH2 TRP A 34 7.341 -1.332 -9.097 1.00 0.00 C ATOM 0 H TRP A 34 14.051 0.632 -10.454 1.00 0.00 H new ATOM 0 HA TRP A 34 14.093 -2.295 -10.257 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.387 -1.281 -8.313 1.00 0.00 H new ATOM 0 HB3 TRP A 34 12.427 -0.078 -9.150 1.00 0.00 H new ATOM 0 HD1 TRP A 34 12.298 -3.953 -8.653 1.00 0.00 H new ATOM 0 HE1 TRP A 34 9.828 -4.722 -8.497 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.187 0.583 -9.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.288 -3.469 -8.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 7.706 0.723 -9.470 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.268 -1.209 -9.113 1.00 0.00 H new ATOM 545 N VAL A 35 12.495 -2.921 -12.016 1.00 0.00 N ATOM 546 CA VAL A 35 12.023 -3.288 -13.340 1.00 0.00 C ATOM 547 C VAL A 35 10.576 -3.775 -13.243 1.00 0.00 C ATOM 548 O VAL A 35 9.845 -3.759 -14.232 1.00 0.00 O ATOM 549 CB VAL A 35 12.962 -4.325 -13.961 1.00 0.00 C ATOM 550 CG1 VAL A 35 12.628 -4.552 -15.437 1.00 0.00 C ATOM 551 CG2 VAL A 35 14.425 -3.913 -13.787 1.00 0.00 C ATOM 0 H VAL A 35 12.721 -3.709 -11.410 1.00 0.00 H new ATOM 0 HA VAL A 35 12.032 -2.423 -14.003 1.00 0.00 H new ATOM 0 HB VAL A 35 12.815 -5.268 -13.435 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.310 -5.293 -15.854 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.603 -4.911 -15.527 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.733 -3.614 -15.982 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.071 -4.667 -14.237 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.593 -2.953 -14.275 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.655 -3.825 -12.725 1.00 0.00 H new ATOM 561 N ALA A 36 10.205 -4.195 -12.043 1.00 0.00 N ATOM 562 CA ALA A 36 8.846 -4.645 -11.794 1.00 0.00 C ATOM 563 C ALA A 36 8.556 -5.877 -12.654 1.00 0.00 C ATOM 564 O ALA A 36 7.428 -6.071 -13.105 1.00 0.00 O ATOM 565 CB ALA A 36 7.870 -3.499 -12.068 1.00 0.00 C ATOM 0 H ALA A 36 10.822 -4.233 -11.232 1.00 0.00 H new ATOM 0 HA ALA A 36 8.723 -4.935 -10.751 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.851 -3.837 -11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.100 -2.660 -11.411 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.963 -3.183 -13.107 1.00 0.00 H new ATOM 571 N SER A 37 9.593 -6.676 -12.856 1.00 0.00 N ATOM 572 CA SER A 37 9.453 -7.906 -13.617 1.00 0.00 C ATOM 573 C SER A 37 10.669 -8.806 -13.385 1.00 0.00 C ATOM 574 O SER A 37 10.542 -9.895 -12.830 1.00 0.00 O ATOM 575 CB SER A 37 9.284 -7.614 -15.109 1.00 0.00 C ATOM 576 OG SER A 37 9.355 -8.800 -15.896 1.00 0.00 O ATOM 0 H SER A 37 10.534 -6.496 -12.506 1.00 0.00 H new ATOM 0 HA SER A 37 8.557 -8.422 -13.272 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.324 -7.125 -15.276 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.058 -6.917 -15.432 1.00 0.00 H new ATOM 0 HG SER A 37 9.241 -8.572 -16.842 1.00 0.00 H new ATOM 582 N LYS A 38 11.819 -8.316 -13.824 1.00 0.00 N ATOM 583 CA LYS A 38 13.031 -9.117 -13.800 1.00 0.00 C ATOM 584 C LYS A 38 13.801 -8.831 -12.510 1.00 0.00 C ATOM 585 O LYS A 38 13.877 -9.684 -11.626 1.00 0.00 O ATOM 586 CB LYS A 38 13.852 -8.884 -15.071 1.00 0.00 C ATOM 587 CG LYS A 38 13.136 -9.453 -16.298 1.00 0.00 C ATOM 588 CD LYS A 38 13.875 -9.079 -17.585 1.00 0.00 C ATOM 589 CE LYS A 38 15.149 -9.910 -17.746 1.00 0.00 C ATOM 590 NZ LYS A 38 15.775 -9.648 -19.061 1.00 0.00 N ATOM 0 H LYS A 38 11.937 -7.375 -14.198 1.00 0.00 H new ATOM 0 HA LYS A 38 12.786 -10.179 -13.796 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.022 -7.816 -15.208 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.831 -9.352 -14.967 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.069 -10.538 -16.214 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.115 -9.073 -16.337 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.222 -9.238 -18.443 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.128 -8.019 -17.569 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.851 -9.669 -16.948 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.913 -10.970 -17.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.639 -10.220 -19.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.109 -9.900 -19.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.018 -8.639 -19.135 1.00 0.00 H new ATOM 604 N GLY A 39 14.353 -7.628 -12.441 1.00 0.00 N ATOM 605 CA GLY A 39 15.098 -7.213 -11.265 1.00 0.00 C ATOM 606 C GLY A 39 14.161 -6.963 -10.082 1.00 0.00 C ATOM 607 O GLY A 39 13.267 -6.122 -10.160 1.00 0.00 O ATOM 0 H GLY A 39 14.299 -6.928 -13.181 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.825 -7.981 -11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.659 -6.305 -11.487 1.00 0.00 H new ATOM 611 N ASN A 40 14.398 -7.709 -9.013 1.00 0.00 N ATOM 612 CA ASN A 40 13.579 -7.588 -7.819 1.00 0.00 C ATOM 613 C ASN A 40 13.923 -6.282 -7.099 1.00 0.00 C ATOM 614 O ASN A 40 14.906 -5.624 -7.437 1.00 0.00 O ATOM 615 CB ASN A 40 13.840 -8.744 -6.852 1.00 0.00 C ATOM 616 CG ASN A 40 15.295 -8.744 -6.378 1.00 0.00 C ATOM 617 OD1 ASN A 40 16.213 -9.079 -7.108 1.00 0.00 O ATOM 618 ND2 ASN A 40 15.453 -8.351 -5.117 1.00 0.00 N ATOM 0 H ASN A 40 15.146 -8.400 -8.949 1.00 0.00 H new ATOM 0 HA ASN A 40 12.533 -7.604 -8.125 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.174 -8.662 -5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.613 -9.691 -7.342 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.386 -8.317 -4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.641 -8.084 -4.561 1.00 0.00 H new ATOM 625 N LEU A 41 13.095 -5.946 -6.121 1.00 0.00 N ATOM 626 CA LEU A 41 13.111 -4.609 -5.554 1.00 0.00 C ATOM 627 C LEU A 41 14.371 -4.435 -4.704 1.00 0.00 C ATOM 628 O LEU A 41 15.204 -3.576 -4.991 1.00 0.00 O ATOM 629 CB LEU A 41 11.812 -4.336 -4.791 1.00 0.00 C ATOM 630 CG LEU A 41 11.525 -2.870 -4.460 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.397 -2.034 -5.736 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.291 -2.741 -3.565 1.00 0.00 C ATOM 0 H LEU A 41 12.409 -6.577 -5.707 1.00 0.00 H new ATOM 0 HA LEU A 41 13.154 -3.860 -6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.980 -4.725 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.836 -4.901 -3.859 1.00 0.00 H new ATOM 0 HG LEU A 41 12.372 -2.475 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.193 -0.996 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.327 -2.089 -6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.579 -2.421 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.109 -1.689 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.425 -3.159 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.458 -3.283 -2.634 1.00 0.00 H new ATOM 644 N ALA A 42 14.472 -5.263 -3.675 1.00 0.00 N ATOM 645 CA ALA A 42 15.436 -5.026 -2.614 1.00 0.00 C ATOM 646 C ALA A 42 16.843 -4.971 -3.213 1.00 0.00 C ATOM 647 O ALA A 42 17.753 -4.399 -2.616 1.00 0.00 O ATOM 648 CB ALA A 42 15.298 -6.112 -1.546 1.00 0.00 C ATOM 0 H ALA A 42 13.902 -6.100 -3.553 1.00 0.00 H new ATOM 0 HA ALA A 42 15.246 -4.068 -2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.021 -5.934 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.290 -6.089 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.484 -7.088 -1.994 1.00 0.00 H new ATOM 654 N GLU A 43 16.976 -5.574 -4.385 1.00 0.00 N ATOM 655 CA GLU A 43 18.240 -5.545 -5.102 1.00 0.00 C ATOM 656 C GLU A 43 18.694 -4.100 -5.319 1.00 0.00 C ATOM 657 O GLU A 43 19.789 -3.721 -4.907 1.00 0.00 O ATOM 658 CB GLU A 43 18.132 -6.292 -6.433 1.00 0.00 C ATOM 659 CG GLU A 43 19.468 -6.278 -7.179 1.00 0.00 C ATOM 660 CD GLU A 43 19.401 -7.142 -8.440 1.00 0.00 C ATOM 661 OE1 GLU A 43 18.620 -6.769 -9.342 1.00 0.00 O ATOM 662 OE2 GLU A 43 20.132 -8.155 -8.473 1.00 0.00 O ATOM 0 H GLU A 43 16.230 -6.085 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 43 18.991 -6.054 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.823 -7.322 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.361 -5.832 -7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 43 19.727 -5.254 -7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.258 -6.645 -6.524 1.00 0.00 H new ATOM 669 N VAL A 44 17.828 -3.332 -5.965 1.00 0.00 N ATOM 670 CA VAL A 44 18.236 -2.059 -6.533 1.00 0.00 C ATOM 671 C VAL A 44 17.833 -0.929 -5.583 1.00 0.00 C ATOM 672 O VAL A 44 18.468 0.124 -5.561 1.00 0.00 O ATOM 673 CB VAL A 44 17.647 -1.899 -7.936 1.00 0.00 C ATOM 674 CG1 VAL A 44 16.189 -1.443 -7.870 1.00 0.00 C ATOM 675 CG2 VAL A 44 18.487 -0.934 -8.776 1.00 0.00 C ATOM 0 H VAL A 44 16.846 -3.567 -6.107 1.00 0.00 H new ATOM 0 HA VAL A 44 19.320 -2.020 -6.644 1.00 0.00 H new ATOM 0 HB VAL A 44 17.670 -2.874 -8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 44 15.795 -1.337 -8.881 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.601 -2.182 -7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 44 16.131 -0.484 -7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 44 18.047 -0.838 -9.769 1.00 0.00 H new ATOM 0 HG22 VAL A 44 18.510 0.043 -8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 44 19.503 -1.319 -8.865 1.00 0.00 H new ATOM 685 N ALA A 45 16.780 -1.187 -4.822 1.00 0.00 N ATOM 686 CA ALA A 45 16.375 -0.270 -3.770 1.00 0.00 C ATOM 687 C ALA A 45 16.200 -1.046 -2.463 1.00 0.00 C ATOM 688 O ALA A 45 15.095 -1.474 -2.134 1.00 0.00 O ATOM 689 CB ALA A 45 15.097 0.458 -4.191 1.00 0.00 C ATOM 0 H ALA A 45 16.195 -2.018 -4.913 1.00 0.00 H new ATOM 0 HA ALA A 45 17.142 0.487 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.793 1.146 -3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.282 1.017 -5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.304 -0.269 -4.363 1.00 0.00 H new ATOM 695 N PRO A 46 17.337 -1.209 -1.734 1.00 0.00 N ATOM 696 CA PRO A 46 17.330 -1.968 -0.496 1.00 0.00 C ATOM 697 C PRO A 46 16.679 -1.169 0.634 1.00 0.00 C ATOM 698 O PRO A 46 16.932 0.026 0.781 1.00 0.00 O ATOM 699 CB PRO A 46 18.790 -2.296 -0.227 1.00 0.00 C ATOM 700 CG PRO A 46 19.597 -1.319 -1.066 1.00 0.00 C ATOM 701 CD PRO A 46 18.654 -0.675 -2.069 1.00 0.00 C ATOM 0 HA PRO A 46 16.737 -2.880 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 46 19.026 -2.189 0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 46 19.016 -3.326 -0.502 1.00 0.00 H new ATOM 0 HG2 PRO A 46 20.056 -0.560 -0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.406 -1.836 -1.581 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.673 0.412 -1.989 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.934 -0.924 -3.093 1.00 0.00 H new ATOM 709 N GLY A 47 15.852 -1.860 1.405 1.00 0.00 N ATOM 710 CA GLY A 47 15.416 -1.341 2.690 1.00 0.00 C ATOM 711 C GLY A 47 14.249 -0.366 2.521 1.00 0.00 C ATOM 712 O GLY A 47 14.055 0.524 3.347 1.00 0.00 O ATOM 0 H GLY A 47 15.472 -2.776 1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.115 -2.166 3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.247 -0.837 3.183 1.00 0.00 H new ATOM 716 N LYS A 48 13.503 -0.568 1.446 1.00 0.00 N ATOM 717 CA LYS A 48 12.260 0.159 1.250 1.00 0.00 C ATOM 718 C LYS A 48 11.312 -0.681 0.393 1.00 0.00 C ATOM 719 O LYS A 48 11.737 -1.635 -0.257 1.00 0.00 O ATOM 720 CB LYS A 48 12.537 1.551 0.678 1.00 0.00 C ATOM 721 CG LYS A 48 13.442 1.466 -0.553 1.00 0.00 C ATOM 722 CD LYS A 48 14.862 1.930 -0.223 1.00 0.00 C ATOM 723 CE LYS A 48 14.995 3.446 -0.380 1.00 0.00 C ATOM 724 NZ LYS A 48 16.356 3.889 -0.005 1.00 0.00 N ATOM 0 H LYS A 48 13.735 -1.225 0.701 1.00 0.00 H new ATOM 0 HA LYS A 48 11.762 0.326 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.596 2.032 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.008 2.174 1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.467 0.440 -0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.031 2.081 -1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.114 1.643 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.574 1.429 -0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.785 3.730 -1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.257 3.948 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.429 4.920 -0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.543 3.635 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.054 3.424 -0.620 1.00 0.00 H new ATOM 738 N SER A 49 10.044 -0.296 0.418 1.00 0.00 N ATOM 739 CA SER A 49 9.039 -0.979 -0.378 1.00 0.00 C ATOM 740 C SER A 49 8.207 0.042 -1.157 1.00 0.00 C ATOM 741 O SER A 49 8.451 1.244 -1.069 1.00 0.00 O ATOM 742 CB SER A 49 8.132 -1.842 0.501 1.00 0.00 C ATOM 743 OG SER A 49 8.862 -2.510 1.526 1.00 0.00 O ATOM 0 H SER A 49 9.690 0.480 0.977 1.00 0.00 H new ATOM 0 HA SER A 49 9.549 -1.637 -1.082 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.363 -1.216 0.953 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.620 -2.578 -0.119 1.00 0.00 H new ATOM 0 HG SER A 49 8.248 -3.049 2.067 1.00 0.00 H new ATOM 749 N ILE A 50 7.241 -0.475 -1.902 1.00 0.00 N ATOM 750 CA ILE A 50 6.316 0.380 -2.627 1.00 0.00 C ATOM 751 C ILE A 50 5.145 0.748 -1.714 1.00 0.00 C ATOM 752 O ILE A 50 4.575 -0.118 -1.051 1.00 0.00 O ATOM 753 CB ILE A 50 5.890 -0.282 -3.939 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.105 -0.789 -4.718 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.026 0.664 -4.776 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.111 0.338 -4.959 1.00 0.00 C ATOM 0 H ILE A 50 7.079 -1.475 -2.019 1.00 0.00 H new ATOM 0 HA ILE A 50 6.803 1.313 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 50 5.277 -1.151 -3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.584 -1.597 -4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.782 -1.203 -5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.737 0.169 -5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.132 0.933 -4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.593 1.565 -5.008 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.965 -0.049 -5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.636 1.134 -5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.450 0.734 -4.002 1.00 0.00 H new ATOM 768 N GLY A 51 4.820 2.032 -1.710 1.00 0.00 N ATOM 769 CA GLY A 51 3.588 2.490 -1.090 1.00 0.00 C ATOM 770 C GLY A 51 3.362 3.980 -1.355 1.00 0.00 C ATOM 771 O GLY A 51 4.291 4.697 -1.721 1.00 0.00 O ATOM 0 H GLY A 51 5.388 2.770 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.746 1.916 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.628 2.310 -0.016 1.00 0.00 H new ATOM 775 N GLY A 52 2.121 4.401 -1.160 1.00 0.00 N ATOM 776 CA GLY A 52 1.758 5.790 -1.384 1.00 0.00 C ATOM 777 C GLY A 52 1.328 6.017 -2.835 1.00 0.00 C ATOM 778 O GLY A 52 1.144 7.156 -3.261 1.00 0.00 O ATOM 0 H GLY A 52 1.354 3.805 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.947 6.070 -0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.605 6.434 -1.147 1.00 0.00 H new ATOM 782 N ASP A 53 1.181 4.914 -3.555 1.00 0.00 N ATOM 783 CA ASP A 53 0.794 4.979 -4.953 1.00 0.00 C ATOM 784 C ASP A 53 -0.716 4.762 -5.070 1.00 0.00 C ATOM 785 O ASP A 53 -1.320 4.106 -4.223 1.00 0.00 O ATOM 786 CB ASP A 53 1.493 3.890 -5.770 1.00 0.00 C ATOM 787 CG ASP A 53 3.022 3.931 -5.727 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.576 3.404 -4.739 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.601 4.488 -6.684 1.00 0.00 O ATOM 0 H ASP A 53 1.323 3.970 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 53 1.081 5.958 -5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.160 2.917 -5.410 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.171 3.973 -6.808 1.00 0.00 H new ATOM 794 N VAL A 54 -1.282 5.325 -6.128 1.00 0.00 N ATOM 795 CA VAL A 54 -2.726 5.471 -6.215 1.00 0.00 C ATOM 796 C VAL A 54 -3.342 4.144 -6.664 1.00 0.00 C ATOM 797 O VAL A 54 -2.711 3.377 -7.389 1.00 0.00 O ATOM 798 CB VAL A 54 -3.079 6.637 -7.140 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.594 6.768 -7.303 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.466 7.944 -6.633 1.00 0.00 C ATOM 0 H VAL A 54 -0.767 5.685 -6.932 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.145 5.710 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.654 6.427 -8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.818 7.604 -7.965 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.995 5.849 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.051 6.944 -6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.732 8.757 -7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.847 8.162 -5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.381 7.846 -6.593 1.00 0.00 H new ATOM 810 N PHE A 55 -4.566 3.915 -6.213 1.00 0.00 N ATOM 811 CA PHE A 55 -5.219 2.636 -6.436 1.00 0.00 C ATOM 812 C PHE A 55 -6.408 2.785 -7.388 1.00 0.00 C ATOM 813 O PHE A 55 -7.032 3.844 -7.445 1.00 0.00 O ATOM 814 CB PHE A 55 -5.726 2.149 -5.077 1.00 0.00 C ATOM 815 CG PHE A 55 -6.784 1.048 -5.166 1.00 0.00 C ATOM 816 CD1 PHE A 55 -8.100 1.376 -5.271 1.00 0.00 C ATOM 817 CD2 PHE A 55 -6.409 -0.259 -5.141 1.00 0.00 C ATOM 818 CE1 PHE A 55 -9.082 0.353 -5.353 1.00 0.00 C ATOM 819 CE2 PHE A 55 -7.391 -1.281 -5.224 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.707 -0.954 -5.328 1.00 0.00 C ATOM 0 H PHE A 55 -5.123 4.594 -5.694 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.516 1.933 -6.883 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.881 1.780 -4.496 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.142 2.996 -4.531 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.398 2.414 -5.292 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.364 -0.520 -5.058 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.127 0.613 -5.435 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.093 -2.319 -5.205 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.454 -1.732 -5.391 1.00 0.00 H new ATOM 925 N LEU A 62 -14.024 -0.995 -3.960 1.00 0.00 N ATOM 926 CA LEU A 62 -14.230 -0.297 -2.703 1.00 0.00 C ATOM 927 C LEU A 62 -15.197 0.867 -2.923 1.00 0.00 C ATOM 928 O LEU A 62 -15.317 1.378 -4.036 1.00 0.00 O ATOM 929 CB LEU A 62 -12.889 0.123 -2.097 1.00 0.00 C ATOM 930 CG LEU A 62 -11.850 -0.988 -1.932 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.439 -0.464 -2.210 1.00 0.00 C ATOM 932 CD2 LEU A 62 -11.958 -1.640 -0.553 1.00 0.00 C ATOM 0 HA LEU A 62 -14.691 -0.960 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.459 0.905 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.078 0.565 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.058 -1.762 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.719 -1.273 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.386 -0.085 -3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.205 0.340 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.208 -2.426 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.791 -0.889 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -12.952 -2.071 -0.431 1.00 0.00 H new ATOM 944 N PRO A 63 -15.881 1.264 -1.816 1.00 0.00 N ATOM 945 CA PRO A 63 -16.897 2.300 -1.895 1.00 0.00 C ATOM 946 C PRO A 63 -16.260 3.683 -2.040 1.00 0.00 C ATOM 947 O PRO A 63 -15.050 3.796 -2.228 1.00 0.00 O ATOM 948 CB PRO A 63 -17.711 2.151 -0.620 1.00 0.00 C ATOM 949 CG PRO A 63 -16.843 1.350 0.337 1.00 0.00 C ATOM 950 CD PRO A 63 -15.706 0.739 -0.465 1.00 0.00 C ATOM 0 HA PRO A 63 -17.535 2.197 -2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.960 3.125 -0.199 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.653 1.638 -0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.452 1.992 1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.430 0.570 0.823 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.736 1.019 -0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.754 -0.350 -0.454 1.00 0.00 H new ATOM 997 N ARG A 68 -13.497 11.060 -3.439 1.00 0.00 N ATOM 998 CA ARG A 68 -12.627 10.627 -2.359 1.00 0.00 C ATOM 999 C ARG A 68 -11.665 9.545 -2.853 1.00 0.00 C ATOM 1000 O ARG A 68 -12.061 8.652 -3.601 1.00 0.00 O ATOM 1001 CB ARG A 68 -13.440 10.079 -1.184 1.00 0.00 C ATOM 1002 CG ARG A 68 -12.581 9.982 0.079 1.00 0.00 C ATOM 1003 CD ARG A 68 -13.434 10.149 1.337 1.00 0.00 C ATOM 1004 NE ARG A 68 -14.312 8.970 1.513 1.00 0.00 N ATOM 1005 CZ ARG A 68 -15.249 8.867 2.466 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -15.375 9.830 3.389 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -16.059 7.800 2.497 1.00 0.00 N ATOM 0 HA ARG A 68 -12.060 11.495 -2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.297 10.726 -0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.834 9.095 -1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.074 9.018 0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -11.807 10.749 0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.791 10.268 2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.037 11.054 1.260 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.197 8.187 0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.758 10.642 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.088 9.751 4.114 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.963 7.066 1.795 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.772 7.722 3.222 1.00 0.00 H new ATOM 1021 N THR A 69 -10.420 9.660 -2.415 1.00 0.00 N ATOM 1022 CA THR A 69 -9.323 8.989 -3.091 1.00 0.00 C ATOM 1023 C THR A 69 -9.031 7.642 -2.427 1.00 0.00 C ATOM 1024 O THR A 69 -9.431 7.408 -1.288 1.00 0.00 O ATOM 1025 CB THR A 69 -8.122 9.936 -3.099 1.00 0.00 C ATOM 1026 OG1 THR A 69 -8.688 11.213 -3.379 1.00 0.00 O ATOM 1027 CG2 THR A 69 -7.180 9.679 -4.277 1.00 0.00 C ATOM 0 H THR A 69 -10.147 10.208 -1.600 1.00 0.00 H new ATOM 0 HA THR A 69 -9.579 8.757 -4.125 1.00 0.00 H new ATOM 0 HB THR A 69 -7.571 9.830 -2.165 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.978 11.888 -3.401 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.345 10.378 -4.235 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.801 8.658 -4.224 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.722 9.817 -5.213 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.336 6.792 -3.168 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.859 5.535 -2.616 1.00 0.00 C ATOM 1037 C TRP A 70 -6.377 5.396 -2.970 1.00 0.00 C ATOM 1038 O TRP A 70 -5.956 5.782 -4.060 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.705 4.361 -3.113 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.130 4.342 -2.557 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.202 5.007 -3.010 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.598 3.589 -1.418 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.322 4.739 -2.249 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.943 3.850 -1.250 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.908 2.717 -0.557 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.713 3.278 -0.230 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.692 2.155 0.457 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -12.046 2.406 0.639 1.00 0.00 C ATOM 0 H TRP A 70 -8.092 6.949 -4.146 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.960 5.527 -1.531 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.751 4.395 -4.202 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.208 3.429 -2.844 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.191 5.669 -3.863 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.256 5.123 -2.393 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.856 2.498 -0.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.765 3.498 -0.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.210 1.478 1.147 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.582 1.931 1.447 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.626 4.843 -2.029 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.208 4.609 -2.245 1.00 0.00 C ATOM 1061 C ARG A 71 -3.797 3.260 -1.652 1.00 0.00 C ATOM 1062 O ARG A 71 -4.312 2.852 -0.612 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.364 5.716 -1.609 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.730 7.084 -2.187 1.00 0.00 C ATOM 1065 CD ARG A 71 -2.866 8.187 -1.572 1.00 0.00 C ATOM 1066 NE ARG A 71 -3.406 9.516 -1.937 1.00 0.00 N ATOM 1067 CZ ARG A 71 -4.475 10.078 -1.356 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -5.133 9.424 -0.390 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -4.885 11.294 -1.741 1.00 0.00 N ATOM 0 H ARG A 71 -5.972 4.550 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.032 4.606 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.517 5.720 -0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.306 5.516 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.597 7.073 -3.269 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.783 7.293 -1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.843 8.080 -0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.838 8.094 -1.923 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.935 10.037 -2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.820 8.498 -0.097 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.947 9.852 0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.384 11.792 -2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.699 11.722 -1.299 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.873 2.604 -2.340 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.429 1.284 -1.926 1.00 0.00 C ATOM 1085 C GLU A 72 -1.014 1.357 -1.348 1.00 0.00 C ATOM 1086 O GLU A 72 -0.303 2.338 -1.560 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.495 0.294 -3.091 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.367 0.549 -4.092 1.00 0.00 C ATOM 1089 CD GLU A 72 -1.592 -0.241 -5.384 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -2.585 0.072 -6.074 1.00 0.00 O ATOM 1091 OE2 GLU A 72 -0.764 -1.139 -5.651 1.00 0.00 O ATOM 0 H GLU A 72 -2.420 2.962 -3.181 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.100 0.923 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.425 -0.725 -2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.458 0.382 -3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.310 1.614 -4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.412 0.265 -3.650 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.648 0.305 -0.630 1.00 0.00 N ATOM 1099 CA ALA A 73 0.700 0.194 -0.100 1.00 0.00 C ATOM 1100 C ALA A 73 1.014 -1.278 0.177 1.00 0.00 C ATOM 1101 O ALA A 73 0.114 -2.065 0.466 1.00 0.00 O ATOM 1102 CB ALA A 73 0.831 1.063 1.151 1.00 0.00 C ATOM 0 H ALA A 73 -1.262 -0.478 -0.403 1.00 0.00 H new ATOM 0 HA ALA A 73 1.428 0.556 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.843 0.979 1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.627 2.103 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.117 0.728 1.903 1.00 0.00 H new ATOM 1108 N ASP A 74 2.294 -1.605 0.079 1.00 0.00 N ATOM 1109 CA ASP A 74 2.731 -2.980 0.255 1.00 0.00 C ATOM 1110 C ASP A 74 2.623 -3.360 1.733 1.00 0.00 C ATOM 1111 O ASP A 74 2.854 -2.528 2.609 1.00 0.00 O ATOM 1112 CB ASP A 74 4.189 -3.154 -0.173 1.00 0.00 C ATOM 1113 CG ASP A 74 4.454 -2.953 -1.666 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.459 -2.755 -2.397 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.645 -3.001 -2.043 1.00 0.00 O ATOM 0 H ASP A 74 3.043 -0.942 -0.120 1.00 0.00 H new ATOM 0 HA ASP A 74 2.096 -3.617 -0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.803 -2.449 0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.517 -4.155 0.107 1.00 0.00 H new ATOM 1120 N ILE A 75 2.272 -4.616 1.964 1.00 0.00 N ATOM 1121 CA ILE A 75 2.416 -5.202 3.286 1.00 0.00 C ATOM 1122 C ILE A 75 3.274 -6.466 3.189 1.00 0.00 C ATOM 1123 O ILE A 75 3.171 -7.217 2.220 1.00 0.00 O ATOM 1124 CB ILE A 75 1.043 -5.438 3.919 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.201 -4.161 3.896 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.182 -6.007 5.333 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.700 -3.157 4.937 1.00 0.00 C ATOM 0 H ILE A 75 1.888 -5.244 1.258 1.00 0.00 H new ATOM 0 HA ILE A 75 2.936 -4.514 3.953 1.00 0.00 H new ATOM 0 HB ILE A 75 0.515 -6.182 3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.242 -3.712 2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.843 -4.406 4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.192 -6.165 5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.716 -6.956 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.737 -5.305 5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.084 -2.258 4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.635 -3.601 5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.736 -2.896 4.723 1.00 0.00 H new ATOM 1139 N ASN A 76 4.100 -6.661 4.206 1.00 0.00 N ATOM 1140 CA ASN A 76 4.914 -7.862 4.289 1.00 0.00 C ATOM 1141 C ASN A 76 5.788 -7.968 3.037 1.00 0.00 C ATOM 1142 O ASN A 76 5.330 -8.430 1.993 1.00 0.00 O ATOM 1143 CB ASN A 76 4.040 -9.115 4.363 1.00 0.00 C ATOM 1144 CG ASN A 76 3.318 -9.201 5.708 1.00 0.00 C ATOM 1145 OD1 ASN A 76 3.901 -9.036 6.767 1.00 0.00 O ATOM 1146 ND2 ASN A 76 2.019 -9.469 5.608 1.00 0.00 N ATOM 0 H ASN A 76 4.223 -6.008 4.980 1.00 0.00 H new ATOM 0 HA ASN A 76 5.525 -7.794 5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.309 -9.101 3.554 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.657 -10.002 4.220 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.448 -9.548 6.450 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.594 -9.596 4.690 1.00 0.00 H new ATOM 1266 N ALA A 84 2.385 -8.012 -3.973 1.00 0.00 N ATOM 1267 CA ALA A 84 1.093 -8.642 -4.183 1.00 0.00 C ATOM 1268 C ALA A 84 0.196 -8.374 -2.973 1.00 0.00 C ATOM 1269 O ALA A 84 -0.856 -7.750 -3.101 1.00 0.00 O ATOM 1270 CB ALA A 84 1.289 -10.137 -4.443 1.00 0.00 C ATOM 0 HA ALA A 84 0.600 -8.221 -5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.319 -10.609 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.908 -10.274 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.780 -10.594 -3.584 1.00 0.00 H new ATOM 1276 N ASP A 85 0.646 -8.859 -1.825 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.077 -8.637 -0.584 1.00 0.00 C ATOM 1278 C ASP A 85 -0.014 -7.152 -0.221 1.00 0.00 C ATOM 1279 O ASP A 85 1.069 -6.603 -0.025 1.00 0.00 O ATOM 1280 CB ASP A 85 0.545 -9.432 0.566 1.00 0.00 C ATOM 1281 CG ASP A 85 0.489 -10.952 0.405 1.00 0.00 C ATOM 1282 OD1 ASP A 85 1.065 -11.439 -0.592 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.128 -11.594 1.283 1.00 0.00 O ATOM 0 H ASP A 85 1.502 -9.405 -1.728 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.107 -8.962 -0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.587 -9.131 0.674 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.037 -9.161 1.492 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.189 -6.545 -0.141 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.285 -5.095 -0.151 1.00 0.00 C ATOM 1290 C ARG A 86 -2.444 -4.634 0.736 1.00 0.00 C ATOM 1291 O ARG A 86 -3.344 -5.413 1.042 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.496 -4.567 -1.571 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.158 -4.268 -2.249 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.360 -3.890 -3.718 1.00 0.00 C ATOM 1295 NE ARG A 86 0.223 -4.932 -4.594 1.00 0.00 N ATOM 1296 CZ ARG A 86 -0.454 -5.563 -5.563 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -1.774 -5.758 -5.441 1.00 0.00 N ATOM 1298 NH2 ARG A 86 0.190 -5.999 -6.654 1.00 0.00 N ATOM 0 H ARG A 86 -2.083 -7.031 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.347 -4.697 0.236 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.049 -5.301 -2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.102 -3.662 -1.540 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.345 -3.454 -1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.492 -5.141 -2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.423 -3.778 -3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.109 -2.927 -3.922 1.00 0.00 H new ATOM 0 HE ARG A 86 1.201 -5.185 -4.451 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.264 -5.426 -4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.289 -6.238 -6.179 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.195 -5.851 -6.746 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.325 -6.479 -7.392 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.383 -3.368 1.123 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.441 -2.779 1.925 1.00 0.00 C ATOM 1314 C LEU A 87 -3.842 -1.431 1.323 1.00 0.00 C ATOM 1315 O LEU A 87 -2.983 -0.616 0.989 1.00 0.00 O ATOM 1316 CB LEU A 87 -3.017 -2.695 3.393 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.922 -1.864 4.306 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -4.182 -2.590 5.627 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.344 -0.465 4.524 1.00 0.00 C ATOM 0 H LEU A 87 -1.617 -2.734 0.896 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.328 -3.412 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.962 -3.707 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.010 -2.280 3.437 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.886 -1.740 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.827 -1.978 6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.669 -3.545 5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.235 -2.765 6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.006 0.105 5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.360 -0.546 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.253 0.045 3.565 1.00 0.00 H new ATOM 1331 N VAL A 88 -5.147 -1.237 1.202 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.670 -0.086 0.485 1.00 0.00 C ATOM 1333 C VAL A 88 -6.522 0.756 1.436 1.00 0.00 C ATOM 1334 O VAL A 88 -7.429 0.239 2.086 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.436 -0.547 -0.756 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.640 0.611 -1.735 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.727 -1.720 -1.435 1.00 0.00 C ATOM 0 H VAL A 88 -5.858 -1.858 1.589 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.856 0.547 0.131 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.419 -0.892 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.187 0.257 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.208 1.403 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.670 0.999 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.293 -2.028 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.725 -1.414 -1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.657 -2.555 -0.738 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.201 2.041 1.487 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.863 2.942 2.415 1.00 0.00 C ATOM 1349 C TYR A 89 -7.357 4.200 1.698 1.00 0.00 C ATOM 1350 O TYR A 89 -6.757 4.637 0.718 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.804 3.338 3.445 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.573 4.017 2.842 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -4.559 5.385 2.659 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -3.476 3.262 2.481 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -3.400 6.024 2.092 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -2.316 3.900 1.914 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.336 5.250 1.747 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.241 5.853 1.211 1.00 0.00 O ATOM 0 H TYR A 89 -5.491 2.479 0.900 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.728 2.459 2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.255 4.010 4.175 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.486 2.446 3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.418 5.976 2.941 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.487 2.192 2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.376 7.094 1.944 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.451 3.320 1.628 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.164 6.764 1.564 1.00 0.00 H new ATOM 1368 N SER A 90 -8.447 4.748 2.216 1.00 0.00 N ATOM 1369 CA SER A 90 -9.042 5.935 1.625 1.00 0.00 C ATOM 1370 C SER A 90 -8.479 7.190 2.294 1.00 0.00 C ATOM 1371 O SER A 90 -7.688 7.097 3.231 1.00 0.00 O ATOM 1372 CB SER A 90 -10.567 5.906 1.748 1.00 0.00 C ATOM 1373 OG SER A 90 -10.998 6.102 3.091 1.00 0.00 O ATOM 0 H SER A 90 -8.934 4.392 3.039 1.00 0.00 H new ATOM 0 HA SER A 90 -8.791 5.952 0.565 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.997 6.681 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.942 4.950 1.383 1.00 0.00 H new ATOM 0 HG SER A 90 -11.580 6.889 3.136 1.00 0.00 H new ATOM 1379 N SER A 91 -8.910 8.336 1.787 1.00 0.00 N ATOM 1380 CA SER A 91 -8.440 9.608 2.307 1.00 0.00 C ATOM 1381 C SER A 91 -8.797 9.731 3.790 1.00 0.00 C ATOM 1382 O SER A 91 -7.977 10.171 4.595 1.00 0.00 O ATOM 1383 CB SER A 91 -9.034 10.778 1.520 1.00 0.00 C ATOM 1384 OG SER A 91 -8.754 10.681 0.127 1.00 0.00 O ATOM 0 H SER A 91 -9.580 8.410 1.021 1.00 0.00 H new ATOM 0 HA SER A 91 -7.356 9.643 2.196 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.113 10.806 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.633 11.715 1.906 1.00 0.00 H new ATOM 0 HG SER A 91 -9.151 11.445 -0.341 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.021 9.333 4.106 1.00 0.00 N ATOM 1391 CA ASP A 92 -10.520 9.458 5.465 1.00 0.00 C ATOM 1392 C ASP A 92 -10.282 8.146 6.214 1.00 0.00 C ATOM 1393 O ASP A 92 -10.848 7.926 7.284 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.024 9.742 5.475 1.00 0.00 C ATOM 1395 CG ASP A 92 -12.901 8.599 4.963 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -12.668 8.177 3.810 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -13.785 8.171 5.737 1.00 0.00 O ATOM 0 H ASP A 92 -10.681 8.924 3.445 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.993 10.284 5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.326 9.983 6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.215 10.627 4.868 1.00 0.00 H new ATOM 1402 N TRP A 93 -9.444 7.308 5.623 1.00 0.00 N ATOM 1403 CA TRP A 93 -8.883 6.177 6.343 1.00 0.00 C ATOM 1404 C TRP A 93 -10.003 5.160 6.572 1.00 0.00 C ATOM 1405 O TRP A 93 -10.229 4.724 7.700 1.00 0.00 O ATOM 1406 CB TRP A 93 -8.213 6.632 7.641 1.00 0.00 C ATOM 1407 CG TRP A 93 -7.513 7.988 7.538 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -7.779 9.108 8.225 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -6.414 8.325 6.666 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -6.935 10.137 7.861 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.079 9.646 6.882 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -5.726 7.539 5.724 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.047 10.297 6.196 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -4.698 8.205 5.047 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.347 9.534 5.253 1.00 0.00 C ATOM 0 H TRP A 93 -9.139 7.389 4.653 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.095 5.701 5.760 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.965 6.682 8.428 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.484 5.881 7.944 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.556 9.194 8.970 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -6.939 11.084 8.240 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -5.972 6.504 5.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.804 11.332 6.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.137 7.646 4.312 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.539 9.976 4.689 1.00 0.00 H new ATOM 1426 N LEU A 94 -10.674 4.812 5.485 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.410 3.560 5.428 1.00 0.00 C ATOM 1428 C LEU A 94 -10.520 2.479 4.810 1.00 0.00 C ATOM 1429 O LEU A 94 -10.064 2.618 3.677 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.740 3.753 4.698 1.00 0.00 C ATOM 1431 CG LEU A 94 -13.867 4.389 5.515 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -14.813 5.187 4.615 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.611 3.335 6.337 1.00 0.00 C ATOM 0 H LEU A 94 -10.724 5.375 4.636 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.670 3.225 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.562 4.371 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.080 2.781 4.341 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.423 5.092 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.605 5.629 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.256 5.978 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.253 4.524 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.407 3.814 6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.042 2.590 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.915 2.849 7.021 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.301 1.426 5.583 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.129 0.588 5.392 1.00 0.00 C ATOM 1447 C ILE A 95 -9.575 -0.841 5.076 1.00 0.00 C ATOM 1448 O ILE A 95 -10.421 -1.399 5.772 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.196 0.688 6.600 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -8.000 2.145 7.022 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.864 -0.012 6.323 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -7.008 2.251 8.182 1.00 0.00 C ATOM 0 H ILE A 95 -10.915 1.134 6.343 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.547 0.937 4.539 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.664 0.170 7.437 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.638 2.727 6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.958 2.574 7.317 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.219 0.074 7.198 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.044 -1.065 6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.378 0.456 5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.887 3.297 8.463 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.385 1.688 9.036 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.045 1.844 7.875 1.00 0.00 H new ATOM 1464 N TYR A 96 -8.986 -1.392 4.025 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.214 -2.786 3.685 1.00 0.00 C ATOM 1466 C TYR A 96 -7.912 -3.466 3.254 1.00 0.00 C ATOM 1467 O TYR A 96 -7.032 -2.823 2.684 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.186 -2.779 2.504 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.586 -2.268 2.853 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.826 -0.911 2.931 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.608 -3.165 3.091 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.143 -0.431 3.260 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.925 -2.685 3.420 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.127 -1.341 3.488 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.371 -0.888 3.799 1.00 0.00 O ATOM 0 H TYR A 96 -8.351 -0.898 3.398 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.604 -3.331 4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.772 -2.159 1.709 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.268 -3.791 2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.026 -0.209 2.745 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.420 -4.227 3.030 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.345 0.628 3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.734 -3.376 3.608 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.972 -1.650 3.934 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.832 -4.756 3.542 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.654 -5.530 3.189 1.00 0.00 C ATOM 1487 C LYS A 97 -6.984 -6.442 2.006 1.00 0.00 C ATOM 1488 O LYS A 97 -8.153 -6.718 1.737 1.00 0.00 O ATOM 1489 CB LYS A 97 -6.118 -6.278 4.411 1.00 0.00 C ATOM 1490 CG LYS A 97 -7.122 -7.325 4.897 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.445 -8.353 5.806 1.00 0.00 C ATOM 1492 CE LYS A 97 -6.165 -7.761 7.189 1.00 0.00 C ATOM 1493 NZ LYS A 97 -5.422 -8.730 8.027 1.00 0.00 N ATOM 0 H LYS A 97 -8.564 -5.285 4.016 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.847 -4.871 2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.174 -6.763 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.909 -5.570 5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.932 -6.834 5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.569 -7.830 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.082 -9.232 5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.511 -8.686 5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.588 -6.842 7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.104 -7.496 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.240 -8.313 8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.986 -9.597 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.517 -8.962 7.570 1.00 0.00 H new ATOM 1507 N THR A 98 -5.934 -6.886 1.330 1.00 0.00 N ATOM 1508 CA THR A 98 -6.080 -7.906 0.306 1.00 0.00 C ATOM 1509 C THR A 98 -4.767 -8.671 0.126 1.00 0.00 C ATOM 1510 O THR A 98 -3.710 -8.066 -0.045 1.00 0.00 O ATOM 1511 CB THR A 98 -6.567 -7.225 -0.974 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.548 -8.264 -1.949 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.569 -6.196 -1.507 1.00 0.00 C ATOM 0 H THR A 98 -4.979 -6.558 1.472 1.00 0.00 H new ATOM 0 HA THR A 98 -6.819 -8.654 0.594 1.00 0.00 H new ATOM 0 HB THR A 98 -7.523 -6.738 -0.784 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.433 -8.682 -1.998 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.964 -5.743 -2.416 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.408 -5.422 -0.756 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.622 -6.688 -1.729 1.00 0.00 H new ATOM 1521 N THR A 99 -4.878 -9.991 0.169 1.00 0.00 N ATOM 1522 CA THR A 99 -3.759 -10.848 -0.184 1.00 0.00 C ATOM 1523 C THR A 99 -3.941 -11.409 -1.595 1.00 0.00 C ATOM 1524 O THR A 99 -3.068 -12.108 -2.107 1.00 0.00 O ATOM 1525 CB THR A 99 -3.636 -11.931 0.889 1.00 0.00 C ATOM 1526 OG1 THR A 99 -4.946 -12.485 0.975 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.385 -11.350 2.282 1.00 0.00 C ATOM 0 H THR A 99 -5.726 -10.488 0.443 1.00 0.00 H new ATOM 0 HA THR A 99 -2.825 -10.287 -0.209 1.00 0.00 H new ATOM 0 HB THR A 99 -2.824 -12.610 0.627 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.956 -13.198 1.648 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.306 -12.161 3.006 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.458 -10.777 2.276 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.213 -10.697 2.558 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.081 -11.081 -2.185 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.586 -11.844 -3.313 1.00 0.00 C ATOM 1537 C ASP A 100 -5.600 -10.956 -4.559 1.00 0.00 C ATOM 1538 O ASP A 100 -6.171 -11.327 -5.584 1.00 0.00 O ATOM 1539 CB ASP A 100 -7.017 -12.323 -3.058 1.00 0.00 C ATOM 1540 CG ASP A 100 -7.957 -11.269 -2.470 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -8.116 -10.220 -3.131 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.494 -11.535 -1.374 1.00 0.00 O ATOM 0 H ASP A 100 -5.669 -10.297 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.936 -12.708 -3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.438 -12.679 -3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.983 -13.176 -2.381 1.00 0.00 H new ATOM 1547 N HIS A 101 -4.966 -9.801 -4.430 1.00 0.00 N ATOM 1548 CA HIS A 101 -4.764 -8.926 -5.573 1.00 0.00 C ATOM 1549 C HIS A 101 -6.120 -8.474 -6.119 1.00 0.00 C ATOM 1550 O HIS A 101 -6.474 -8.792 -7.253 1.00 0.00 O ATOM 1551 CB HIS A 101 -3.896 -9.608 -6.633 1.00 0.00 C ATOM 1552 CG HIS A 101 -3.217 -8.648 -7.581 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -3.920 -7.786 -8.405 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -1.895 -8.423 -7.826 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -3.049 -7.080 -9.111 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -1.794 -7.477 -8.751 1.00 0.00 N ATOM 0 H HIS A 101 -4.585 -9.450 -3.551 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.221 -8.034 -5.261 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.136 -10.209 -6.134 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.516 -10.294 -7.209 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -4.936 -7.708 -8.459 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -1.069 -8.929 -7.348 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -3.290 -6.323 -9.843 1.00 0.00 H new ATOM 1564 N TYR A 102 -6.842 -7.739 -5.285 1.00 0.00 N ATOM 1565 CA TYR A 102 -8.054 -7.073 -5.732 1.00 0.00 C ATOM 1566 C TYR A 102 -9.037 -8.075 -6.340 1.00 0.00 C ATOM 1567 O TYR A 102 -9.624 -7.817 -7.390 1.00 0.00 O ATOM 1568 CB TYR A 102 -7.617 -6.085 -6.816 1.00 0.00 C ATOM 1569 CG TYR A 102 -6.405 -5.234 -6.430 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -6.249 -4.807 -5.127 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -5.469 -4.893 -7.385 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -5.109 -4.006 -4.764 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -4.329 -4.092 -7.022 1.00 0.00 C ATOM 1574 CZ TYR A 102 -4.205 -3.688 -5.729 1.00 0.00 C ATOM 1575 OH TYR A 102 -3.128 -2.932 -5.386 1.00 0.00 O ATOM 0 H TYR A 102 -6.611 -7.590 -4.303 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.553 -6.583 -4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.384 -6.639 -7.726 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.452 -5.425 -7.050 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.982 -5.074 -4.380 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.592 -5.227 -8.405 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.975 -3.665 -3.748 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.589 -3.818 -7.760 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.567 -2.784 -6.176 1.00 0.00 H new ATOM 1585 N ALA A 103 -9.188 -9.198 -5.653 1.00 0.00 N ATOM 1586 CA ALA A 103 -10.317 -10.080 -5.899 1.00 0.00 C ATOM 1587 C ALA A 103 -11.384 -9.846 -4.829 1.00 0.00 C ATOM 1588 O ALA A 103 -12.548 -9.609 -5.149 1.00 0.00 O ATOM 1589 CB ALA A 103 -9.833 -11.531 -5.933 1.00 0.00 C ATOM 0 H ALA A 103 -8.548 -9.517 -4.926 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.769 -9.864 -6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.679 -12.193 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.098 -11.651 -6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.376 -11.785 -4.977 1.00 0.00 H new ATOM 1595 N THR A 104 -10.950 -9.921 -3.579 1.00 0.00 N ATOM 1596 CA THR A 104 -11.820 -9.589 -2.463 1.00 0.00 C ATOM 1597 C THR A 104 -11.106 -8.646 -1.493 1.00 0.00 C ATOM 1598 O THR A 104 -9.918 -8.367 -1.653 1.00 0.00 O ATOM 1599 CB THR A 104 -12.277 -10.897 -1.814 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.080 -11.659 -1.688 1.00 0.00 O ATOM 1601 CG2 THR A 104 -13.157 -11.735 -2.744 1.00 0.00 C ATOM 0 H THR A 104 -10.007 -10.207 -3.314 1.00 0.00 H new ATOM 0 HA THR A 104 -12.706 -9.050 -2.799 1.00 0.00 H new ATOM 0 HB THR A 104 -12.825 -10.676 -0.898 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.339 -11.066 -1.441 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.454 -12.652 -2.235 1.00 0.00 H new ATOM 0 HG22 THR A 104 -14.046 -11.166 -3.014 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.598 -11.985 -3.646 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.859 -8.181 -0.507 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.304 -7.304 0.509 1.00 0.00 C ATOM 1611 C PHE A 105 -11.854 -7.652 1.894 1.00 0.00 C ATOM 1612 O PHE A 105 -12.902 -8.285 2.008 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.727 -5.878 0.149 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.950 -5.276 -1.023 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -9.731 -4.711 -0.812 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -11.478 -5.305 -2.276 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -9.010 -4.152 -1.901 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -10.757 -4.747 -3.364 1.00 0.00 C ATOM 1619 CZ PHE A 105 -9.538 -4.181 -3.153 1.00 0.00 C ATOM 0 H PHE A 105 -12.849 -8.395 -0.390 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.220 -7.411 0.541 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.790 -5.875 -0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.598 -5.240 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.311 -4.687 0.183 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -12.446 -5.753 -2.443 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.042 -3.704 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -11.176 -4.772 -4.359 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.990 -3.755 -3.980 1.00 0.00 H new ATOM 1629 N THR A 106 -11.122 -7.222 2.911 1.00 0.00 N ATOM 1630 CA THR A 106 -11.591 -7.358 4.280 1.00 0.00 C ATOM 1631 C THR A 106 -11.307 -6.079 5.070 1.00 0.00 C ATOM 1632 O THR A 106 -10.190 -5.566 5.047 1.00 0.00 O ATOM 1633 CB THR A 106 -10.936 -8.602 4.883 1.00 0.00 C ATOM 1634 OG1 THR A 106 -11.453 -9.678 4.105 1.00 0.00 O ATOM 1635 CG2 THR A 106 -11.430 -8.896 6.301 1.00 0.00 C ATOM 0 H THR A 106 -10.208 -6.779 2.815 1.00 0.00 H new ATOM 0 HA THR A 106 -12.672 -7.492 4.316 1.00 0.00 H new ATOM 0 HB THR A 106 -9.854 -8.472 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.078 -10.524 4.427 1.00 0.00 H new ATOM 0 HG21 THR A 106 -10.933 -9.789 6.682 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.201 -8.050 6.949 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.508 -9.059 6.284 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.339 -5.601 5.751 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.240 -4.346 6.477 1.00 0.00 C ATOM 1645 C ARG A 107 -11.483 -4.552 7.791 1.00 0.00 C ATOM 1646 O ARG A 107 -11.780 -5.477 8.544 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.626 -3.774 6.779 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.537 -2.295 7.162 1.00 0.00 C ATOM 1649 CD ARG A 107 -14.931 -1.686 7.325 1.00 0.00 C ATOM 1650 NE ARG A 107 -14.821 -0.294 7.815 1.00 0.00 N ATOM 1651 CZ ARG A 107 -15.835 0.395 8.355 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -17.094 -0.038 8.204 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -15.590 1.516 9.047 1.00 0.00 N ATOM 0 H ARG A 107 -13.247 -6.060 5.815 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.698 -3.640 5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.269 -3.889 5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.087 -4.337 7.591 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.979 -2.190 8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.985 -1.750 6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.458 -1.704 6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.517 -2.281 8.025 1.00 0.00 H new ATOM 0 HE ARG A 107 -13.916 0.170 7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.280 -0.892 7.678 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.866 0.486 8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -14.631 1.845 9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -16.362 2.041 9.458 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.519 -3.673 8.025 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.696 -3.766 9.219 1.00 0.00 C ATOM 1669 C ILE A 108 -10.008 -2.586 10.141 1.00 0.00 C ATOM 1670 O ILE A 108 -10.025 -2.735 11.362 1.00 0.00 O ATOM 1671 CB ILE A 108 -8.218 -3.879 8.843 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.527 -2.515 8.917 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -8.050 -4.532 7.469 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.318 -2.085 10.370 1.00 0.00 C ATOM 0 H ILE A 108 -10.290 -2.894 7.408 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.930 -4.675 9.774 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.730 -4.528 9.570 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.565 -2.562 8.406 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.128 -1.770 8.396 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.990 -4.600 7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.484 -5.532 7.486 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.557 -3.929 6.715 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.825 -1.113 10.395 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.283 -2.015 10.871 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.696 -2.820 10.881 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.247 -1.439 9.522 1.00 0.00 N ATOM 1687 CA ARG A 109 -10.969 -0.367 10.185 1.00 0.00 C ATOM 1688 C ARG A 109 -11.843 0.386 9.179 1.00 0.00 C ATOM 1689 O ARG A 109 -11.379 0.541 8.029 1.00 0.00 O ATOM 1690 CB ARG A 109 -10.005 0.618 10.850 1.00 0.00 C ATOM 1691 CG ARG A 109 -10.768 1.685 11.637 1.00 0.00 C ATOM 1692 CD ARG A 109 -10.807 3.008 10.869 1.00 0.00 C ATOM 1693 NE ARG A 109 -11.479 4.046 11.683 1.00 0.00 N ATOM 1694 CZ ARG A 109 -11.695 5.302 11.269 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -11.297 5.683 10.048 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -12.308 6.178 12.077 1.00 0.00 N ATOM 0 H ARG A 109 -9.953 -1.229 8.568 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.598 -0.817 10.953 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -9.333 0.080 11.518 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.385 1.095 10.091 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.784 1.342 11.830 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.293 1.837 12.606 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.794 3.326 10.624 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.336 2.875 9.925 1.00 0.00 H new ATOM 0 HE ARG A 109 -11.797 3.789 12.617 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.829 5.017 9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.462 6.639 9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.610 5.889 13.007 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.472 7.134 11.762 1.00 0.00 H new