USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=23 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 Set 1.1: A 101 HIS : no HE2:sc= 1.07 K(o=2.4,f=-2.5) USER MOD Set 1.2: A 102 TYR OH : rot 93:sc= 1.33 USER MOD Single : A 4 ASN : amide:sc= -0.989 K(o=-0.99,f=-1.7) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.937 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= 1.08 (180deg=0.503) USER MOD Single : A 22 ASN : amide:sc= -0.609 K(o=-0.61,f=-7.2!) USER MOD Single : A 23 TYR OH : rot -81:sc= 0.17 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0359) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 30 SER OG : rot 43:sc= 0.0337 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= -0.146 K(o=-0.15,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= -0.0113 (180deg=-0.0286) 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= -0.254 X(o=-0.25,f=-0.0025) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 125:sc= 2.15 USER MOD Single : A 91 SER OG : rot -150:sc= 0.973 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 115:sc= 1.03 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.00736 USER MOD Single : A 104 THR OG1 : rot 51:sc= 0.94 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.109 USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 3 7.631 -0.298 10.555 1.00 0.00 N ATOM 28 CA ILE A 3 6.229 -0.679 10.600 1.00 0.00 C ATOM 29 C ILE A 3 5.772 -1.092 9.199 1.00 0.00 C ATOM 30 O ILE A 3 5.853 -0.303 8.259 1.00 0.00 O ATOM 31 CB ILE A 3 5.389 0.441 11.216 1.00 0.00 C ATOM 32 CG1 ILE A 3 5.813 0.713 12.661 1.00 0.00 C ATOM 33 CG2 ILE A 3 3.895 0.130 11.106 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.286 2.067 13.141 1.00 0.00 C ATOM 0 HA ILE A 3 6.090 -1.544 11.249 1.00 0.00 H new ATOM 0 HB ILE A 3 5.570 1.355 10.650 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.437 -0.078 13.309 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.900 0.695 12.734 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.321 0.942 11.551 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.621 0.025 10.056 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.677 -0.800 11.632 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.601 2.236 14.171 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.684 2.858 12.505 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.197 2.073 13.089 1.00 0.00 H new ATOM 46 N ASN A 4 5.300 -2.326 9.105 1.00 0.00 N ATOM 47 CA ASN A 4 5.075 -2.945 7.810 1.00 0.00 C ATOM 48 C ASN A 4 4.083 -4.099 7.966 1.00 0.00 C ATOM 49 O ASN A 4 4.241 -5.147 7.341 1.00 0.00 O ATOM 50 CB ASN A 4 6.376 -3.513 7.238 1.00 0.00 C ATOM 51 CG ASN A 4 6.879 -4.687 8.080 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.839 -5.837 7.675 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.352 -4.334 9.272 1.00 0.00 N ATOM 0 H ASN A 4 5.067 -2.914 9.905 1.00 0.00 H new ATOM 0 HA ASN A 4 4.687 -2.183 7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.213 -3.841 6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.135 -2.732 7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.710 -5.045 9.909 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.356 -3.352 9.549 1.00 0.00 H new ATOM 60 N THR A 5 3.083 -3.868 8.803 1.00 0.00 N ATOM 61 CA THR A 5 2.018 -4.841 8.983 1.00 0.00 C ATOM 62 C THR A 5 0.659 -4.203 8.690 1.00 0.00 C ATOM 63 O THR A 5 0.536 -2.979 8.661 1.00 0.00 O ATOM 64 CB THR A 5 2.130 -5.408 10.399 1.00 0.00 C ATOM 65 OG1 THR A 5 2.013 -4.265 11.242 1.00 0.00 O ATOM 66 CG2 THR A 5 3.528 -5.953 10.703 1.00 0.00 C ATOM 0 H THR A 5 2.987 -3.022 9.364 1.00 0.00 H new ATOM 0 HA THR A 5 2.113 -5.667 8.278 1.00 0.00 H new ATOM 0 HB THR A 5 1.394 -6.201 10.531 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.073 -4.543 12.180 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.553 -6.343 11.720 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.767 -6.752 10.002 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.260 -5.152 10.604 1.00 0.00 H new ATOM 74 N PHE A 6 -0.329 -5.061 8.480 1.00 0.00 N ATOM 75 CA PHE A 6 -1.650 -4.600 8.089 1.00 0.00 C ATOM 76 C PHE A 6 -2.258 -3.700 9.166 1.00 0.00 C ATOM 77 O PHE A 6 -2.762 -2.619 8.865 1.00 0.00 O ATOM 78 CB PHE A 6 -2.527 -5.843 7.925 1.00 0.00 C ATOM 79 CG PHE A 6 -2.160 -6.709 6.719 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.391 -6.253 5.459 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.602 -7.936 6.907 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.050 -7.057 4.339 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.262 -8.740 5.787 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.493 -8.284 4.527 1.00 0.00 C ATOM 0 H PHE A 6 -0.241 -6.073 8.573 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.585 -4.023 7.166 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.455 -6.448 8.829 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.567 -5.531 7.832 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.834 -5.279 5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.418 -8.298 7.908 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.233 -6.694 3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.820 -9.714 5.936 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.234 -8.896 3.675 1.00 0.00 H new ATOM 94 N ASP A 7 -2.191 -4.178 10.400 1.00 0.00 N ATOM 95 CA ASP A 7 -2.750 -3.441 11.520 1.00 0.00 C ATOM 96 C ASP A 7 -1.864 -2.231 11.821 1.00 0.00 C ATOM 97 O ASP A 7 -2.364 -1.163 12.173 1.00 0.00 O ATOM 98 CB ASP A 7 -2.807 -4.310 12.778 1.00 0.00 C ATOM 99 CG ASP A 7 -3.586 -5.618 12.626 1.00 0.00 C ATOM 100 OD1 ASP A 7 -3.084 -6.496 11.891 1.00 0.00 O ATOM 101 OD2 ASP A 7 -4.667 -5.710 13.247 1.00 0.00 O ATOM 0 H ASP A 7 -1.758 -5.067 10.649 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.760 -3.131 11.250 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.788 -4.545 13.085 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.256 -3.728 13.583 1.00 0.00 H new ATOM 106 N GLY A 8 -0.564 -2.438 11.673 1.00 0.00 N ATOM 107 CA GLY A 8 0.405 -1.439 12.092 1.00 0.00 C ATOM 108 C GLY A 8 0.311 -0.185 11.221 1.00 0.00 C ATOM 109 O GLY A 8 0.198 0.926 11.737 1.00 0.00 O ATOM 0 H GLY A 8 -0.159 -3.282 11.269 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.233 -1.175 13.135 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.411 -1.854 12.030 1.00 0.00 H new ATOM 113 N VAL A 9 0.361 -0.404 9.916 1.00 0.00 N ATOM 114 CA VAL A 9 0.312 0.698 8.969 1.00 0.00 C ATOM 115 C VAL A 9 -1.060 1.371 9.047 1.00 0.00 C ATOM 116 O VAL A 9 -1.157 2.596 9.006 1.00 0.00 O ATOM 117 CB VAL A 9 0.653 0.196 7.565 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.447 1.299 6.524 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.081 -0.350 7.509 1.00 0.00 C ATOM 0 H VAL A 9 0.435 -1.328 9.491 1.00 0.00 H new ATOM 0 HA VAL A 9 1.058 1.452 9.220 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.027 -0.622 7.327 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.696 0.916 5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.594 1.621 6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.092 2.146 6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.297 -0.700 6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.783 0.439 7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.181 -1.179 8.210 1.00 0.00 H new ATOM 129 N ALA A 10 -2.086 0.540 9.159 1.00 0.00 N ATOM 130 CA ALA A 10 -3.446 1.040 9.258 1.00 0.00 C ATOM 131 C ALA A 10 -3.524 2.077 10.380 1.00 0.00 C ATOM 132 O ALA A 10 -4.134 3.132 10.214 1.00 0.00 O ATOM 133 CB ALA A 10 -4.406 -0.131 9.479 1.00 0.00 C ATOM 0 H ALA A 10 -2.002 -0.476 9.183 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.741 1.534 8.332 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.427 0.244 9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.334 -0.824 8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.142 -0.649 10.401 1.00 0.00 H new ATOM 139 N ASP A 11 -2.897 1.740 11.498 1.00 0.00 N ATOM 140 CA ASP A 11 -2.917 2.614 12.659 1.00 0.00 C ATOM 141 C ASP A 11 -2.120 3.883 12.351 1.00 0.00 C ATOM 142 O ASP A 11 -2.541 4.985 12.699 1.00 0.00 O ATOM 143 CB ASP A 11 -2.275 1.934 13.870 1.00 0.00 C ATOM 144 CG ASP A 11 -3.253 1.511 14.968 1.00 0.00 C ATOM 145 OD1 ASP A 11 -4.185 0.749 14.635 1.00 0.00 O ATOM 146 OD2 ASP A 11 -3.045 1.960 16.116 1.00 0.00 O ATOM 0 H ASP A 11 -2.372 0.874 11.624 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.957 2.850 12.886 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.733 1.052 13.528 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.539 2.613 14.301 1.00 0.00 H new ATOM 151 N TYR A 12 -0.981 3.685 11.702 1.00 0.00 N ATOM 152 CA TYR A 12 -0.023 4.763 11.527 1.00 0.00 C ATOM 153 C TYR A 12 -0.579 5.846 10.600 1.00 0.00 C ATOM 154 O TYR A 12 -0.248 7.022 10.744 1.00 0.00 O ATOM 155 CB TYR A 12 1.208 4.132 10.874 1.00 0.00 C ATOM 156 CG TYR A 12 2.446 5.031 10.880 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.622 5.969 9.883 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.386 4.903 11.882 1.00 0.00 C ATOM 159 CE1 TYR A 12 3.787 6.815 9.889 1.00 0.00 C ATOM 160 CE2 TYR A 12 4.551 5.749 11.887 1.00 0.00 C ATOM 161 CZ TYR A 12 4.694 6.664 10.891 1.00 0.00 C ATOM 162 OH TYR A 12 5.795 7.463 10.896 1.00 0.00 O ATOM 0 H TYR A 12 -0.701 2.794 11.291 1.00 0.00 H new ATOM 0 HA TYR A 12 0.206 5.232 12.484 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.444 3.202 11.391 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.966 3.871 9.844 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.886 6.068 9.099 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.248 4.169 12.662 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.937 7.553 9.115 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.295 5.659 12.665 1.00 0.00 H new ATOM 0 HH TYR A 12 6.354 7.244 11.671 1.00 0.00 H new ATOM 172 N LEU A 13 -1.414 5.410 9.668 1.00 0.00 N ATOM 173 CA LEU A 13 -2.085 6.336 8.772 1.00 0.00 C ATOM 174 C LEU A 13 -2.866 7.361 9.597 1.00 0.00 C ATOM 175 O LEU A 13 -2.627 8.563 9.488 1.00 0.00 O ATOM 176 CB LEU A 13 -2.946 5.576 7.761 1.00 0.00 C ATOM 177 CG LEU A 13 -2.211 5.017 6.541 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.713 3.614 6.194 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.316 5.973 5.352 1.00 0.00 C ATOM 0 H LEU A 13 -1.641 4.428 9.514 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.356 6.890 8.181 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.433 4.749 8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.735 6.242 7.412 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.154 4.928 6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.174 3.240 5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.544 2.947 7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.779 3.654 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.785 5.552 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.365 6.117 5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.873 6.933 5.617 1.00 0.00 H new ATOM 191 N ILE A 14 -3.784 6.849 10.403 1.00 0.00 N ATOM 192 CA ILE A 14 -4.708 7.706 11.126 1.00 0.00 C ATOM 193 C ILE A 14 -3.925 8.577 12.110 1.00 0.00 C ATOM 194 O ILE A 14 -4.269 9.738 12.327 1.00 0.00 O ATOM 195 CB ILE A 14 -5.809 6.872 11.784 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.954 6.605 10.805 1.00 0.00 C ATOM 197 CG2 ILE A 14 -6.301 7.533 13.074 1.00 0.00 C ATOM 198 CD1 ILE A 14 -6.462 5.816 9.589 1.00 0.00 C ATOM 0 H ILE A 14 -3.908 5.851 10.572 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.219 8.381 10.439 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.387 5.905 12.058 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.745 6.049 11.308 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.387 7.551 10.479 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.083 6.920 13.522 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.470 7.629 13.773 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.700 8.522 12.847 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.295 5.639 8.909 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.688 6.385 9.075 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.052 4.861 9.917 1.00 0.00 H new ATOM 210 N ARG A 15 -2.886 7.984 12.680 1.00 0.00 N ATOM 211 CA ARG A 15 -2.141 8.636 13.743 1.00 0.00 C ATOM 212 C ARG A 15 -1.345 9.818 13.185 1.00 0.00 C ATOM 213 O ARG A 15 -1.603 10.967 13.538 1.00 0.00 O ATOM 214 CB ARG A 15 -1.181 7.659 14.423 1.00 0.00 C ATOM 215 CG ARG A 15 -1.047 7.971 15.915 1.00 0.00 C ATOM 216 CD ARG A 15 -0.232 6.891 16.630 1.00 0.00 C ATOM 217 NE ARG A 15 -1.013 5.636 16.708 1.00 0.00 N ATOM 218 CZ ARG A 15 -1.979 5.407 17.608 1.00 0.00 C ATOM 219 NH1 ARG A 15 -2.305 6.355 18.497 1.00 0.00 N ATOM 220 NH2 ARG A 15 -2.618 4.230 17.619 1.00 0.00 N ATOM 0 H ARG A 15 -2.543 7.058 12.425 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.860 8.993 14.481 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.542 6.639 14.292 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.202 7.715 13.947 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.566 8.941 16.046 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.037 8.043 16.366 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.702 6.715 16.096 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.032 7.227 17.633 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.803 4.899 16.035 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.818 7.251 18.489 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.040 6.181 19.182 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.369 3.508 16.942 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.353 4.055 18.304 1.00 0.00 H new ATOM 234 N TYR A 16 -0.392 9.494 12.323 1.00 0.00 N ATOM 235 CA TYR A 16 0.573 10.480 11.869 1.00 0.00 C ATOM 236 C TYR A 16 0.101 11.157 10.581 1.00 0.00 C ATOM 237 O TYR A 16 0.758 12.066 10.077 1.00 0.00 O ATOM 238 CB TYR A 16 1.862 9.707 11.582 1.00 0.00 C ATOM 239 CG TYR A 16 2.533 9.131 12.831 1.00 0.00 C ATOM 240 CD1 TYR A 16 3.321 9.938 13.626 1.00 0.00 C ATOM 241 CD2 TYR A 16 2.351 7.803 13.162 1.00 0.00 C ATOM 242 CE1 TYR A 16 3.952 9.396 14.801 1.00 0.00 C ATOM 243 CE2 TYR A 16 2.982 7.261 14.337 1.00 0.00 C ATOM 244 CZ TYR A 16 3.751 8.084 15.098 1.00 0.00 C ATOM 245 OH TYR A 16 4.348 7.571 16.208 1.00 0.00 O ATOM 0 H TYR A 16 -0.268 8.562 11.927 1.00 0.00 H new ATOM 0 HA TYR A 16 0.710 11.257 12.621 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.639 8.892 10.893 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.565 10.369 11.076 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.464 10.977 13.367 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.735 7.171 12.539 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.571 10.017 15.432 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.847 6.224 14.608 1.00 0.00 H new ATOM 0 HH TYR A 16 4.115 6.623 16.296 1.00 0.00 H new ATOM 255 N LYS A 17 -1.034 10.687 10.085 1.00 0.00 N ATOM 256 CA LYS A 17 -1.657 11.304 8.926 1.00 0.00 C ATOM 257 C LYS A 17 -0.738 11.145 7.713 1.00 0.00 C ATOM 258 O LYS A 17 -0.631 12.051 6.888 1.00 0.00 O ATOM 259 CB LYS A 17 -2.029 12.757 9.229 1.00 0.00 C ATOM 260 CG LYS A 17 -3.036 12.837 10.378 1.00 0.00 C ATOM 261 CD LYS A 17 -3.064 14.241 10.986 1.00 0.00 C ATOM 262 CE LYS A 17 -1.956 14.409 12.028 1.00 0.00 C ATOM 263 NZ LYS A 17 -2.317 13.714 13.284 1.00 0.00 N ATOM 0 H LYS A 17 -1.539 9.886 10.465 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.594 10.802 8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.132 13.320 9.487 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.451 13.222 8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.029 12.574 10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.775 12.109 11.146 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.943 14.985 10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.034 14.421 11.449 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.020 14.008 11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.792 15.468 12.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.857 14.188 14.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.349 13.741 13.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.999 12.725 13.237 1.00 0.00 H new ATOM 277 N ARG A 18 -0.099 9.986 7.643 1.00 0.00 N ATOM 278 CA ARG A 18 0.637 9.608 6.449 1.00 0.00 C ATOM 279 C ARG A 18 1.040 8.134 6.518 1.00 0.00 C ATOM 280 O ARG A 18 0.799 7.468 7.523 1.00 0.00 O ATOM 281 CB ARG A 18 1.893 10.466 6.282 1.00 0.00 C ATOM 282 CG ARG A 18 2.665 10.570 7.599 1.00 0.00 C ATOM 283 CD ARG A 18 4.154 10.815 7.344 1.00 0.00 C ATOM 284 NE ARG A 18 4.953 10.289 8.473 1.00 0.00 N ATOM 285 CZ ARG A 18 4.934 10.802 9.710 1.00 0.00 C ATOM 286 NH1 ARG A 18 4.397 12.010 9.927 1.00 0.00 N ATOM 287 NH2 ARG A 18 5.453 10.107 10.732 1.00 0.00 N ATOM 0 H ARG A 18 -0.076 9.296 8.394 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.016 9.769 5.592 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.534 10.033 5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.614 11.463 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.257 11.382 8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.537 9.652 8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.457 10.330 6.416 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.340 11.882 7.222 1.00 0.00 H new ATOM 0 HE ARG A 18 5.556 9.485 8.298 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.002 12.540 9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.383 12.400 10.869 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.862 9.187 10.568 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.438 10.498 11.674 1.00 0.00 H new ATOM 301 N LEU A 19 1.645 7.668 5.435 1.00 0.00 N ATOM 302 CA LEU A 19 2.357 6.401 5.463 1.00 0.00 C ATOM 303 C LEU A 19 3.617 6.548 6.318 1.00 0.00 C ATOM 304 O LEU A 19 4.041 7.662 6.620 1.00 0.00 O ATOM 305 CB LEU A 19 2.633 5.911 4.040 1.00 0.00 C ATOM 306 CG LEU A 19 1.436 5.324 3.289 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.794 5.032 1.830 1.00 0.00 C ATOM 308 CD2 LEU A 19 0.893 4.085 4.005 1.00 0.00 C ATOM 0 H LEU A 19 1.657 8.145 4.533 1.00 0.00 H new ATOM 0 HA LEU A 19 1.744 5.629 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.027 6.745 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.416 5.154 4.083 1.00 0.00 H new ATOM 0 HG LEU A 19 0.639 6.067 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.926 4.616 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.096 5.956 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.615 4.316 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.043 3.688 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.674 3.327 4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.575 4.357 5.011 1.00 0.00 H new ATOM 320 N PRO A 20 4.196 5.376 6.694 1.00 0.00 N ATOM 321 CA PRO A 20 5.552 5.344 7.214 1.00 0.00 C ATOM 322 C PRO A 20 6.574 5.528 6.090 1.00 0.00 C ATOM 323 O PRO A 20 6.241 5.390 4.914 1.00 0.00 O ATOM 324 CB PRO A 20 5.674 4.000 7.913 1.00 0.00 C ATOM 325 CG PRO A 20 4.547 3.141 7.364 1.00 0.00 C ATOM 326 CD PRO A 20 3.576 4.055 6.635 1.00 0.00 C ATOM 0 HA PRO A 20 5.756 6.159 7.909 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.644 3.544 7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.588 4.113 8.994 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.940 2.383 6.686 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.041 2.613 8.172 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.427 3.733 5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.597 4.055 7.114 1.00 0.00 H new ATOM 334 N ASP A 21 7.799 5.837 6.492 1.00 0.00 N ATOM 335 CA ASP A 21 8.797 6.316 5.551 1.00 0.00 C ATOM 336 C ASP A 21 9.572 5.124 4.986 1.00 0.00 C ATOM 337 O ASP A 21 10.517 5.301 4.219 1.00 0.00 O ATOM 338 CB ASP A 21 9.797 7.249 6.236 1.00 0.00 C ATOM 339 CG ASP A 21 10.750 7.982 5.290 1.00 0.00 C ATOM 340 OD1 ASP A 21 10.232 8.666 4.380 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.974 7.842 5.497 1.00 0.00 O ATOM 0 H ASP A 21 8.122 5.765 7.457 1.00 0.00 H new ATOM 0 HA ASP A 21 8.281 6.860 4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.243 7.988 6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.388 6.667 6.944 1.00 0.00 H new ATOM 346 N ASN A 22 9.144 3.936 5.388 1.00 0.00 N ATOM 347 CA ASN A 22 9.777 2.715 4.920 1.00 0.00 C ATOM 348 C ASN A 22 9.264 2.386 3.516 1.00 0.00 C ATOM 349 O ASN A 22 9.774 1.477 2.862 1.00 0.00 O ATOM 350 CB ASN A 22 9.441 1.535 5.834 1.00 0.00 C ATOM 351 CG ASN A 22 7.937 1.256 5.840 1.00 0.00 C ATOM 352 OD1 ASN A 22 7.120 2.110 5.535 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.617 0.017 6.202 1.00 0.00 N ATOM 0 H ASN A 22 8.366 3.793 6.033 1.00 0.00 H new ATOM 0 HA ASN A 22 10.855 2.874 4.918 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.978 0.647 5.499 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.779 1.748 6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.638 -0.267 6.237 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.350 -0.649 6.445 1.00 0.00 H new ATOM 360 N TYR A 23 8.262 3.143 3.094 1.00 0.00 N ATOM 361 CA TYR A 23 7.743 3.013 1.743 1.00 0.00 C ATOM 362 C TYR A 23 8.220 4.168 0.860 1.00 0.00 C ATOM 363 O TYR A 23 7.888 5.325 1.113 1.00 0.00 O ATOM 364 CB TYR A 23 6.220 3.078 1.869 1.00 0.00 C ATOM 365 CG TYR A 23 5.617 1.955 2.716 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.251 0.732 2.793 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.440 2.166 3.404 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.684 -0.324 3.590 1.00 0.00 C ATOM 369 CE2 TYR A 23 3.873 1.110 4.202 1.00 0.00 C ATOM 370 CZ TYR A 23 4.523 -0.083 4.256 1.00 0.00 C ATOM 371 OH TYR A 23 3.987 -1.081 5.009 1.00 0.00 O ATOM 0 H TYR A 23 7.796 3.849 3.664 1.00 0.00 H new ATOM 0 HA TYR A 23 8.085 2.084 1.287 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.942 4.037 2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.781 3.043 0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.173 0.567 2.255 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.944 3.123 3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.170 -1.286 3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.952 1.262 4.745 1.00 0.00 H new ATOM 0 HH TYR A 23 3.485 -1.693 4.431 1.00 0.00 H new ATOM 381 N ILE A 24 8.989 3.813 -0.159 1.00 0.00 N ATOM 382 CA ILE A 24 9.313 4.756 -1.216 1.00 0.00 C ATOM 383 C ILE A 24 8.257 4.660 -2.319 1.00 0.00 C ATOM 384 O ILE A 24 7.434 3.747 -2.318 1.00 0.00 O ATOM 385 CB ILE A 24 10.743 4.534 -1.712 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.934 3.101 -2.212 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.762 4.905 -0.633 1.00 0.00 C ATOM 388 CD1 ILE A 24 12.087 3.018 -3.215 1.00 0.00 C ATOM 0 H ILE A 24 9.397 2.885 -0.275 1.00 0.00 H new ATOM 0 HA ILE A 24 9.287 5.778 -0.837 1.00 0.00 H new ATOM 0 HB ILE A 24 10.917 5.197 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.134 2.441 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.014 2.750 -2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.770 4.738 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.644 5.955 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.599 4.287 0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.201 1.988 -3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.873 3.660 -4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 24 13.010 3.346 -2.737 1.00 0.00 H new ATOM 400 N THR A 25 8.316 5.616 -3.235 1.00 0.00 N ATOM 401 CA THR A 25 7.389 5.639 -4.354 1.00 0.00 C ATOM 402 C THR A 25 7.904 4.755 -5.491 1.00 0.00 C ATOM 403 O THR A 25 9.073 4.373 -5.505 1.00 0.00 O ATOM 404 CB THR A 25 7.181 7.098 -4.765 1.00 0.00 C ATOM 405 OG1 THR A 25 8.432 7.720 -4.484 1.00 0.00 O ATOM 406 CG2 THR A 25 6.190 7.827 -3.855 1.00 0.00 C ATOM 0 H THR A 25 8.991 6.380 -3.225 1.00 0.00 H new ATOM 0 HA THR A 25 6.421 5.224 -4.075 1.00 0.00 H new ATOM 0 HB THR A 25 6.825 7.138 -5.795 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.386 8.669 -4.723 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.079 8.858 -4.190 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.223 7.326 -3.895 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.562 7.817 -2.830 1.00 0.00 H new ATOM 414 N LYS A 26 7.006 4.455 -6.418 1.00 0.00 N ATOM 415 CA LYS A 26 7.387 3.749 -7.629 1.00 0.00 C ATOM 416 C LYS A 26 8.548 4.485 -8.300 1.00 0.00 C ATOM 417 O LYS A 26 9.579 3.885 -8.599 1.00 0.00 O ATOM 418 CB LYS A 26 6.173 3.554 -8.540 1.00 0.00 C ATOM 419 CG LYS A 26 5.221 2.502 -7.967 1.00 0.00 C ATOM 420 CD LYS A 26 3.895 2.489 -8.731 1.00 0.00 C ATOM 421 CE LYS A 26 2.947 1.430 -8.165 1.00 0.00 C ATOM 422 NZ LYS A 26 3.392 0.074 -8.557 1.00 0.00 N ATOM 0 H LYS A 26 6.015 4.688 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 26 7.741 2.746 -7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.646 4.501 -8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.504 3.248 -9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.686 1.518 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.036 2.709 -6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.427 3.471 -8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.081 2.289 -9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.912 1.508 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.935 1.607 -8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.677 -0.623 -8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.517 0.034 -9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.296 -0.143 -8.091 1.00 0.00 H new ATOM 436 N SER A 27 8.341 5.776 -8.518 1.00 0.00 N ATOM 437 CA SER A 27 9.261 6.555 -9.328 1.00 0.00 C ATOM 438 C SER A 27 10.678 6.447 -8.762 1.00 0.00 C ATOM 439 O SER A 27 11.655 6.517 -9.506 1.00 0.00 O ATOM 440 CB SER A 27 8.829 8.021 -9.398 1.00 0.00 C ATOM 441 OG SER A 27 7.489 8.161 -9.863 1.00 0.00 O ATOM 0 H SER A 27 7.549 6.301 -8.147 1.00 0.00 H new ATOM 0 HA SER A 27 9.249 6.152 -10.341 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.919 8.473 -8.410 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.501 8.566 -10.061 1.00 0.00 H new ATOM 0 HG SER A 27 7.250 9.111 -9.892 1.00 0.00 H new ATOM 447 N GLN A 28 10.745 6.277 -7.449 1.00 0.00 N ATOM 448 CA GLN A 28 12.025 6.130 -6.778 1.00 0.00 C ATOM 449 C GLN A 28 12.673 4.797 -7.157 1.00 0.00 C ATOM 450 O GLN A 28 13.772 4.771 -7.709 1.00 0.00 O ATOM 451 CB GLN A 28 11.866 6.251 -5.261 1.00 0.00 C ATOM 452 CG GLN A 28 12.925 7.184 -4.671 1.00 0.00 C ATOM 453 CD GLN A 28 12.726 7.356 -3.164 1.00 0.00 C ATOM 454 OE1 GLN A 28 13.496 6.871 -2.351 1.00 0.00 O ATOM 455 NE2 GLN A 28 11.653 8.070 -2.837 1.00 0.00 N ATOM 0 H GLN A 28 9.933 6.238 -6.833 1.00 0.00 H new ATOM 0 HA GLN A 28 12.680 6.937 -7.107 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.871 6.629 -5.025 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.949 5.265 -4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.919 6.782 -4.867 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.872 8.156 -5.162 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.050 8.448 -3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.433 8.240 -1.856 1.00 0.00 H new ATOM 464 N ALA A 29 11.965 3.721 -6.845 1.00 0.00 N ATOM 465 CA ALA A 29 12.469 2.387 -7.122 1.00 0.00 C ATOM 466 C ALA A 29 12.893 2.301 -8.590 1.00 0.00 C ATOM 467 O ALA A 29 13.937 1.733 -8.906 1.00 0.00 O ATOM 468 CB ALA A 29 11.401 1.352 -6.762 1.00 0.00 C ATOM 0 H ALA A 29 11.046 3.746 -6.403 1.00 0.00 H new ATOM 0 HA ALA A 29 13.347 2.175 -6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.779 0.351 -6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.157 1.435 -5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.505 1.532 -7.356 1.00 0.00 H new ATOM 474 N SER A 30 12.060 2.874 -9.447 1.00 0.00 N ATOM 475 CA SER A 30 12.233 2.710 -10.881 1.00 0.00 C ATOM 476 C SER A 30 13.493 3.444 -11.343 1.00 0.00 C ATOM 477 O SER A 30 14.225 2.949 -12.199 1.00 0.00 O ATOM 478 CB SER A 30 11.010 3.223 -11.645 1.00 0.00 C ATOM 479 OG SER A 30 10.127 2.165 -12.009 1.00 0.00 O ATOM 0 H SER A 30 11.264 3.452 -9.176 1.00 0.00 H new ATOM 0 HA SER A 30 12.341 1.646 -11.093 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.475 3.946 -11.030 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.337 3.748 -12.543 1.00 0.00 H new ATOM 0 HG SER A 30 10.035 1.543 -11.258 1.00 0.00 H new ATOM 485 N ALA A 31 13.709 4.612 -10.756 1.00 0.00 N ATOM 486 CA ALA A 31 14.883 5.405 -11.076 1.00 0.00 C ATOM 487 C ALA A 31 16.142 4.586 -10.782 1.00 0.00 C ATOM 488 O ALA A 31 17.124 4.666 -11.517 1.00 0.00 O ATOM 489 CB ALA A 31 14.844 6.717 -10.288 1.00 0.00 C ATOM 0 H ALA A 31 13.090 5.028 -10.060 1.00 0.00 H new ATOM 0 HA ALA A 31 14.896 5.661 -12.135 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.725 7.312 -10.528 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.946 7.275 -10.554 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.833 6.500 -9.220 1.00 0.00 H new ATOM 495 N LEU A 32 16.071 3.817 -9.705 1.00 0.00 N ATOM 496 CA LEU A 32 17.213 3.032 -9.270 1.00 0.00 C ATOM 497 C LEU A 32 17.378 1.824 -10.193 1.00 0.00 C ATOM 498 O LEU A 32 18.443 1.210 -10.235 1.00 0.00 O ATOM 499 CB LEU A 32 17.077 2.662 -7.791 1.00 0.00 C ATOM 500 CG LEU A 32 17.071 3.832 -6.805 1.00 0.00 C ATOM 501 CD1 LEU A 32 16.519 3.400 -5.445 1.00 0.00 C ATOM 502 CD2 LEU A 32 18.462 4.457 -6.687 1.00 0.00 C ATOM 0 H LEU A 32 15.240 3.721 -9.121 1.00 0.00 H new ATOM 0 HA LEU A 32 18.129 3.618 -9.345 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.153 2.099 -7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.897 1.994 -7.527 1.00 0.00 H new ATOM 0 HG LEU A 32 16.404 4.602 -7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.526 4.250 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.498 3.039 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.140 2.603 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.430 5.286 -5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 32 19.169 3.707 -6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.780 4.824 -7.663 1.00 0.00 H new ATOM 514 N GLY A 33 16.307 1.517 -10.911 1.00 0.00 N ATOM 515 CA GLY A 33 16.376 0.530 -11.975 1.00 0.00 C ATOM 516 C GLY A 33 15.526 -0.697 -11.640 1.00 0.00 C ATOM 517 O GLY A 33 15.821 -1.803 -12.091 1.00 0.00 O ATOM 0 H GLY A 33 15.386 1.935 -10.776 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.030 0.972 -12.909 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.412 0.228 -12.129 1.00 0.00 H new ATOM 521 N TRP A 34 14.487 -0.461 -10.853 1.00 0.00 N ATOM 522 CA TRP A 34 13.494 -1.490 -10.594 1.00 0.00 C ATOM 523 C TRP A 34 12.515 -1.509 -11.770 1.00 0.00 C ATOM 524 O TRP A 34 12.030 -0.462 -12.195 1.00 0.00 O ATOM 525 CB TRP A 34 12.807 -1.262 -9.247 1.00 0.00 C ATOM 526 CG TRP A 34 11.483 -2.012 -9.089 1.00 0.00 C ATOM 527 CD1 TRP A 34 11.294 -3.331 -8.941 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.162 -1.431 -9.069 1.00 0.00 C ATOM 529 NE1 TRP A 34 9.954 -3.641 -8.828 1.00 0.00 N ATOM 530 CE2 TRP A 34 9.244 -2.448 -8.908 1.00 0.00 C ATOM 531 CE3 TRP A 34 9.756 -0.089 -9.182 1.00 0.00 C ATOM 532 CZ2 TRP A 34 7.862 -2.232 -8.846 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.372 0.111 -9.119 1.00 0.00 C ATOM 534 CH2 TRP A 34 7.435 -0.903 -8.958 1.00 0.00 C ATOM 0 H TRP A 34 14.311 0.428 -10.386 1.00 0.00 H new ATOM 0 HA TRP A 34 13.965 -2.470 -10.518 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.484 -1.568 -8.449 1.00 0.00 H new ATOM 0 HB3 TRP A 34 12.626 -0.195 -9.119 1.00 0.00 H new ATOM 0 HD1 TRP A 34 12.091 -4.060 -8.914 1.00 0.00 H new ATOM 0 HE1 TRP A 34 9.558 -4.573 -8.708 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.457 0.723 -9.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.164 -3.046 -8.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.007 1.124 -9.201 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.382 -0.667 -8.919 1.00 0.00 H new ATOM 545 N VAL A 35 12.254 -2.711 -12.261 1.00 0.00 N ATOM 546 CA VAL A 35 11.646 -2.868 -13.572 1.00 0.00 C ATOM 547 C VAL A 35 10.175 -3.255 -13.404 1.00 0.00 C ATOM 548 O VAL A 35 9.375 -3.078 -14.321 1.00 0.00 O ATOM 549 CB VAL A 35 12.440 -3.880 -14.400 1.00 0.00 C ATOM 550 CG1 VAL A 35 11.986 -3.870 -15.861 1.00 0.00 C ATOM 551 CG2 VAL A 35 13.944 -3.619 -14.290 1.00 0.00 C ATOM 0 H VAL A 35 12.452 -3.586 -11.775 1.00 0.00 H new ATOM 0 HA VAL A 35 11.674 -1.927 -14.121 1.00 0.00 H new ATOM 0 HB VAL A 35 12.242 -4.873 -13.995 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.566 -4.598 -16.427 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.928 -4.128 -15.915 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.139 -2.877 -16.283 1.00 0.00 H new ATOM 0 HG21 VAL A 35 14.485 -4.352 -14.888 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.167 -2.617 -14.656 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.252 -3.702 -13.248 1.00 0.00 H new ATOM 561 N ALA A 36 9.865 -3.776 -12.226 1.00 0.00 N ATOM 562 CA ALA A 36 8.526 -4.274 -11.958 1.00 0.00 C ATOM 563 C ALA A 36 8.210 -5.420 -12.921 1.00 0.00 C ATOM 564 O ALA A 36 7.094 -5.519 -13.429 1.00 0.00 O ATOM 565 CB ALA A 36 7.522 -3.125 -12.070 1.00 0.00 C ATOM 0 H ALA A 36 10.517 -3.864 -11.447 1.00 0.00 H new ATOM 0 HA ALA A 36 8.459 -4.668 -10.944 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.518 -3.498 -11.869 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.773 -2.351 -11.345 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.559 -2.706 -13.076 1.00 0.00 H new ATOM 571 N SER A 37 9.213 -6.257 -13.144 1.00 0.00 N ATOM 572 CA SER A 37 9.044 -7.416 -14.003 1.00 0.00 C ATOM 573 C SER A 37 10.207 -8.390 -13.803 1.00 0.00 C ATOM 574 O SER A 37 9.994 -9.562 -13.496 1.00 0.00 O ATOM 575 CB SER A 37 8.944 -7.003 -15.473 1.00 0.00 C ATOM 576 OG SER A 37 8.937 -8.130 -16.345 1.00 0.00 O ATOM 0 H SER A 37 10.146 -6.155 -12.744 1.00 0.00 H new ATOM 0 HA SER A 37 8.113 -7.911 -13.729 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.035 -6.421 -15.625 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.783 -6.355 -15.725 1.00 0.00 H new ATOM 0 HG SER A 37 8.871 -7.825 -17.274 1.00 0.00 H new ATOM 582 N LYS A 38 11.411 -7.869 -13.986 1.00 0.00 N ATOM 583 CA LYS A 38 12.610 -8.654 -13.747 1.00 0.00 C ATOM 584 C LYS A 38 13.573 -7.853 -12.869 1.00 0.00 C ATOM 585 O LYS A 38 13.582 -6.623 -12.913 1.00 0.00 O ATOM 586 CB LYS A 38 13.223 -9.113 -15.072 1.00 0.00 C ATOM 587 CG LYS A 38 13.546 -7.916 -15.969 1.00 0.00 C ATOM 588 CD LYS A 38 14.344 -8.353 -17.200 1.00 0.00 C ATOM 589 CE LYS A 38 13.447 -9.080 -18.204 1.00 0.00 C ATOM 590 NZ LYS A 38 14.193 -9.369 -19.450 1.00 0.00 N ATOM 0 H LYS A 38 11.582 -6.913 -14.297 1.00 0.00 H new ATOM 0 HA LYS A 38 12.365 -9.566 -13.202 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.132 -9.683 -14.879 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.531 -9.781 -15.585 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.621 -7.433 -16.284 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.116 -7.178 -15.405 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.795 -7.481 -17.674 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.160 -9.008 -16.895 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.082 -10.010 -17.768 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.573 -8.469 -18.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.570 -9.863 -20.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.521 -8.477 -19.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.013 -9.970 -19.232 1.00 0.00 H new ATOM 604 N GLY A 39 14.360 -8.581 -12.091 1.00 0.00 N ATOM 605 CA GLY A 39 15.141 -7.967 -11.030 1.00 0.00 C ATOM 606 C GLY A 39 14.241 -7.520 -9.877 1.00 0.00 C ATOM 607 O GLY A 39 13.578 -6.487 -9.966 1.00 0.00 O ATOM 0 H GLY A 39 14.474 -9.591 -12.174 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.883 -8.676 -10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.686 -7.109 -11.424 1.00 0.00 H new ATOM 611 N ASN A 40 14.247 -8.319 -8.820 1.00 0.00 N ATOM 612 CA ASN A 40 13.317 -8.114 -7.722 1.00 0.00 C ATOM 613 C ASN A 40 13.639 -6.789 -7.027 1.00 0.00 C ATOM 614 O ASN A 40 14.697 -6.205 -7.256 1.00 0.00 O ATOM 615 CB ASN A 40 13.435 -9.232 -6.685 1.00 0.00 C ATOM 616 CG ASN A 40 14.868 -9.345 -6.160 1.00 0.00 C ATOM 617 OD1 ASN A 40 15.773 -9.794 -6.843 1.00 0.00 O ATOM 618 ND2 ASN A 40 15.022 -8.912 -4.911 1.00 0.00 N ATOM 0 H ASN A 40 14.881 -9.109 -8.700 1.00 0.00 H new ATOM 0 HA ASN A 40 12.307 -8.107 -8.132 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.755 -9.037 -5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.131 -10.179 -7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.941 -8.944 -4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.221 -8.548 -4.395 1.00 0.00 H new ATOM 625 N LEU A 41 12.707 -6.353 -6.193 1.00 0.00 N ATOM 626 CA LEU A 41 12.774 -5.016 -5.627 1.00 0.00 C ATOM 627 C LEU A 41 14.006 -4.910 -4.727 1.00 0.00 C ATOM 628 O LEU A 41 14.879 -4.075 -4.959 1.00 0.00 O ATOM 629 CB LEU A 41 11.463 -4.667 -4.920 1.00 0.00 C ATOM 630 CG LEU A 41 11.257 -3.189 -4.582 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.161 -2.344 -5.853 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.040 -2.999 -3.674 1.00 0.00 C ATOM 0 H LEU A 41 11.901 -6.902 -5.895 1.00 0.00 H new ATOM 0 HA LEU A 41 12.890 -4.273 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.635 -4.994 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.407 -5.242 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 41 12.129 -2.840 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.015 -1.298 -5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.081 -2.446 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.318 -2.685 -6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.916 -1.940 -3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.148 -3.370 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.188 -3.552 -2.747 1.00 0.00 H new ATOM 644 N ALA A 42 14.037 -5.767 -3.717 1.00 0.00 N ATOM 645 CA ALA A 42 15.025 -5.641 -2.658 1.00 0.00 C ATOM 646 C ALA A 42 16.420 -5.542 -3.278 1.00 0.00 C ATOM 647 O ALA A 42 17.308 -4.900 -2.718 1.00 0.00 O ATOM 648 CB ALA A 42 14.897 -6.824 -1.697 1.00 0.00 C ATOM 0 H ALA A 42 13.394 -6.551 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 42 14.855 -4.732 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 42 15.638 -6.730 -0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.898 -6.833 -1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.064 -7.754 -2.240 1.00 0.00 H new ATOM 654 N GLU A 43 16.570 -6.186 -4.426 1.00 0.00 N ATOM 655 CA GLU A 43 17.857 -6.225 -5.099 1.00 0.00 C ATOM 656 C GLU A 43 18.302 -4.811 -5.477 1.00 0.00 C ATOM 657 O GLU A 43 19.456 -4.441 -5.266 1.00 0.00 O ATOM 658 CB GLU A 43 17.804 -7.131 -6.331 1.00 0.00 C ATOM 659 CG GLU A 43 19.163 -7.183 -7.032 1.00 0.00 C ATOM 660 CD GLU A 43 19.226 -6.178 -8.183 1.00 0.00 C ATOM 661 OE1 GLU A 43 18.502 -6.407 -9.177 1.00 0.00 O ATOM 662 OE2 GLU A 43 19.995 -5.203 -8.044 1.00 0.00 O ATOM 0 H GLU A 43 15.822 -6.685 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 43 18.592 -6.644 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.505 -8.136 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.047 -6.764 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 43 19.955 -6.969 -6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.341 -8.189 -7.413 1.00 0.00 H new ATOM 669 N VAL A 44 17.362 -4.057 -6.030 1.00 0.00 N ATOM 670 CA VAL A 44 17.676 -2.744 -6.566 1.00 0.00 C ATOM 671 C VAL A 44 17.621 -1.711 -5.437 1.00 0.00 C ATOM 672 O VAL A 44 18.512 -0.871 -5.316 1.00 0.00 O ATOM 673 CB VAL A 44 16.733 -2.413 -7.725 1.00 0.00 C ATOM 674 CG1 VAL A 44 16.949 -0.979 -8.215 1.00 0.00 C ATOM 675 CG2 VAL A 44 16.899 -3.414 -8.869 1.00 0.00 C ATOM 0 H VAL A 44 16.383 -4.331 -6.118 1.00 0.00 H new ATOM 0 HA VAL A 44 18.687 -2.729 -6.972 1.00 0.00 H new ATOM 0 HB VAL A 44 15.710 -2.491 -7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 44 16.267 -0.769 -9.039 1.00 0.00 H new ATOM 0 HG12 VAL A 44 16.757 -0.283 -7.399 1.00 0.00 H new ATOM 0 HG13 VAL A 44 17.977 -0.862 -8.557 1.00 0.00 H new ATOM 0 HG21 VAL A 44 16.218 -3.156 -9.680 1.00 0.00 H new ATOM 0 HG22 VAL A 44 17.926 -3.383 -9.234 1.00 0.00 H new ATOM 0 HG23 VAL A 44 16.672 -4.418 -8.510 1.00 0.00 H new ATOM 685 N ALA A 45 16.567 -1.808 -4.640 1.00 0.00 N ATOM 686 CA ALA A 45 16.357 -0.860 -3.559 1.00 0.00 C ATOM 687 C ALA A 45 16.042 -1.624 -2.271 1.00 0.00 C ATOM 688 O ALA A 45 14.876 -1.844 -1.945 1.00 0.00 O ATOM 689 CB ALA A 45 15.245 0.116 -3.945 1.00 0.00 C ATOM 0 H ALA A 45 15.849 -2.528 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 45 17.258 -0.273 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.087 0.827 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.531 0.654 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.323 -0.436 -4.127 1.00 0.00 H new ATOM 695 N PRO A 46 17.129 -2.018 -1.556 1.00 0.00 N ATOM 696 CA PRO A 46 16.984 -2.832 -0.361 1.00 0.00 C ATOM 697 C PRO A 46 16.471 -1.996 0.813 1.00 0.00 C ATOM 698 O PRO A 46 16.941 -0.882 1.038 1.00 0.00 O ATOM 699 CB PRO A 46 18.365 -3.419 -0.115 1.00 0.00 C ATOM 700 CG PRO A 46 19.333 -2.549 -0.900 1.00 0.00 C ATOM 701 CD PRO A 46 18.520 -1.700 -1.864 1.00 0.00 C ATOM 0 HA PRO A 46 16.245 -3.624 -0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.608 -3.413 0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.414 -4.456 -0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.909 -1.915 -0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.047 -3.167 -1.444 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.724 -0.638 -1.725 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.760 -1.938 -2.900 1.00 0.00 H new ATOM 709 N GLY A 47 15.514 -2.566 1.530 1.00 0.00 N ATOM 710 CA GLY A 47 15.179 -2.075 2.856 1.00 0.00 C ATOM 711 C GLY A 47 14.070 -1.024 2.787 1.00 0.00 C ATOM 712 O GLY A 47 13.852 -0.283 3.744 1.00 0.00 O ATOM 0 H GLY A 47 14.960 -3.363 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.859 -2.906 3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.065 -1.644 3.323 1.00 0.00 H new ATOM 716 N LYS A 48 13.398 -0.993 1.646 1.00 0.00 N ATOM 717 CA LYS A 48 12.234 -0.138 1.485 1.00 0.00 C ATOM 718 C LYS A 48 11.298 -0.749 0.441 1.00 0.00 C ATOM 719 O LYS A 48 11.750 -1.410 -0.492 1.00 0.00 O ATOM 720 CB LYS A 48 12.663 1.295 1.163 1.00 0.00 C ATOM 721 CG LYS A 48 13.583 1.331 -0.059 1.00 0.00 C ATOM 722 CD LYS A 48 15.049 1.458 0.362 1.00 0.00 C ATOM 723 CE LYS A 48 15.513 2.914 0.298 1.00 0.00 C ATOM 724 NZ LYS A 48 14.843 3.718 1.345 1.00 0.00 N ATOM 0 H LYS A 48 13.637 -1.547 0.823 1.00 0.00 H new ATOM 0 HA LYS A 48 11.674 -0.077 2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.782 1.909 0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.177 1.726 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.447 0.424 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.311 2.170 -0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.174 1.077 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.672 0.845 -0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.594 2.963 0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.292 3.329 -0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.219 4.688 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.819 3.741 1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.020 3.291 2.277 1.00 0.00 H new ATOM 738 N SER A 49 10.010 -0.505 0.634 1.00 0.00 N ATOM 739 CA SER A 49 9.000 -1.084 -0.237 1.00 0.00 C ATOM 740 C SER A 49 8.433 -0.009 -1.166 1.00 0.00 C ATOM 741 O SER A 49 8.923 1.118 -1.189 1.00 0.00 O ATOM 742 CB SER A 49 7.876 -1.730 0.576 1.00 0.00 C ATOM 743 OG SER A 49 8.339 -2.218 1.832 1.00 0.00 O ATOM 0 H SER A 49 9.642 0.085 1.380 1.00 0.00 H new ATOM 0 HA SER A 49 9.471 -1.863 -0.837 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.082 -1.001 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.442 -2.551 0.006 1.00 0.00 H new ATOM 0 HG SER A 49 7.592 -2.621 2.322 1.00 0.00 H new ATOM 749 N ILE A 50 7.407 -0.397 -1.910 1.00 0.00 N ATOM 750 CA ILE A 50 6.570 0.574 -2.594 1.00 0.00 C ATOM 751 C ILE A 50 5.441 1.015 -1.661 1.00 0.00 C ATOM 752 O ILE A 50 4.962 0.229 -0.845 1.00 0.00 O ATOM 753 CB ILE A 50 6.079 0.011 -3.930 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.241 -0.563 -4.744 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.295 1.065 -4.714 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.331 0.489 -4.959 1.00 0.00 C ATOM 0 H ILE A 50 7.137 -1.370 -2.054 1.00 0.00 H new ATOM 0 HA ILE A 50 7.146 1.466 -2.842 1.00 0.00 H new ATOM 0 HB ILE A 50 5.394 -0.811 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.660 -1.426 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.875 -0.915 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.958 0.639 -5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.431 1.384 -4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.937 1.924 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.145 0.056 -5.540 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.914 1.340 -5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.711 0.821 -3.993 1.00 0.00 H new ATOM 768 N GLY A 51 5.049 2.272 -1.812 1.00 0.00 N ATOM 769 CA GLY A 51 3.793 2.737 -1.249 1.00 0.00 C ATOM 770 C GLY A 51 3.569 4.219 -1.556 1.00 0.00 C ATOM 771 O GLY A 51 4.472 4.899 -2.041 1.00 0.00 O ATOM 0 H GLY A 51 5.579 2.983 -2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.969 2.150 -1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.795 2.582 -0.170 1.00 0.00 H new ATOM 775 N GLY A 52 2.361 4.676 -1.261 1.00 0.00 N ATOM 776 CA GLY A 52 2.034 6.083 -1.419 1.00 0.00 C ATOM 777 C GLY A 52 1.572 6.381 -2.847 1.00 0.00 C ATOM 778 O GLY A 52 1.394 7.541 -3.216 1.00 0.00 O ATOM 0 H GLY A 52 1.597 4.097 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.250 6.359 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.906 6.692 -1.180 1.00 0.00 H new ATOM 782 N ASP A 53 1.391 5.314 -3.612 1.00 0.00 N ATOM 783 CA ASP A 53 1.003 5.449 -5.005 1.00 0.00 C ATOM 784 C ASP A 53 -0.502 5.205 -5.137 1.00 0.00 C ATOM 785 O ASP A 53 -1.106 4.557 -4.284 1.00 0.00 O ATOM 786 CB ASP A 53 1.726 4.424 -5.880 1.00 0.00 C ATOM 787 CG ASP A 53 3.247 4.394 -5.719 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.707 3.675 -4.806 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.915 5.091 -6.513 1.00 0.00 O ATOM 0 H ASP A 53 1.506 4.352 -3.293 1.00 0.00 H new ATOM 0 HA ASP A 53 1.268 6.454 -5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.332 3.433 -5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.490 4.630 -6.924 1.00 0.00 H new ATOM 794 N VAL A 54 -1.064 5.739 -6.212 1.00 0.00 N ATOM 795 CA VAL A 54 -2.503 5.694 -6.404 1.00 0.00 C ATOM 796 C VAL A 54 -2.899 4.319 -6.945 1.00 0.00 C ATOM 797 O VAL A 54 -2.169 3.726 -7.736 1.00 0.00 O ATOM 798 CB VAL A 54 -2.946 6.844 -7.311 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.450 6.779 -7.585 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.556 8.197 -6.712 1.00 0.00 C ATOM 0 H VAL A 54 -0.548 6.205 -6.959 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.019 5.830 -5.454 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.427 6.737 -8.264 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.738 7.608 -8.232 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.690 5.836 -8.075 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.995 6.848 -6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.883 8.997 -7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.034 8.316 -5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.474 8.244 -6.593 1.00 0.00 H new ATOM 810 N PHE A 55 -4.056 3.853 -6.496 1.00 0.00 N ATOM 811 CA PHE A 55 -4.573 2.573 -6.950 1.00 0.00 C ATOM 812 C PHE A 55 -5.932 2.742 -7.632 1.00 0.00 C ATOM 813 O PHE A 55 -6.735 3.580 -7.224 1.00 0.00 O ATOM 814 CB PHE A 55 -4.744 1.694 -5.710 1.00 0.00 C ATOM 815 CG PHE A 55 -6.009 0.833 -5.726 1.00 0.00 C ATOM 816 CD1 PHE A 55 -7.177 1.332 -5.239 1.00 0.00 C ATOM 817 CD2 PHE A 55 -5.965 -0.430 -6.228 1.00 0.00 C ATOM 818 CE1 PHE A 55 -8.351 0.533 -5.255 1.00 0.00 C ATOM 819 CE2 PHE A 55 -7.139 -1.229 -6.244 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.307 -0.730 -5.757 1.00 0.00 C ATOM 0 H PHE A 55 -4.649 4.339 -5.823 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.887 2.129 -7.671 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.875 1.043 -5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.762 2.331 -4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.212 2.335 -4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.037 -0.825 -6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.279 0.928 -4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.104 -2.232 -6.643 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.200 -1.337 -5.769 1.00 0.00 H new ATOM 925 N LEU A 62 -14.031 -1.863 -3.885 1.00 0.00 N ATOM 926 CA LEU A 62 -14.173 -0.808 -2.896 1.00 0.00 C ATOM 927 C LEU A 62 -15.118 0.267 -3.436 1.00 0.00 C ATOM 928 O LEU A 62 -15.261 0.422 -4.647 1.00 0.00 O ATOM 929 CB LEU A 62 -12.800 -0.270 -2.486 1.00 0.00 C ATOM 930 CG LEU A 62 -11.749 -1.321 -2.121 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.336 -0.798 -2.388 1.00 0.00 C ATOM 932 CD2 LEU A 62 -11.924 -1.792 -0.676 1.00 0.00 C ATOM 0 HA LEU A 62 -14.622 -1.199 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.410 0.336 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.932 0.394 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 62 -11.897 -2.190 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.608 -1.564 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.233 -0.553 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.160 0.095 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.165 -2.538 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.818 -0.943 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -12.914 -2.231 -0.554 1.00 0.00 H new ATOM 944 N PRO A 63 -15.757 1.000 -2.485 1.00 0.00 N ATOM 945 CA PRO A 63 -16.726 2.019 -2.851 1.00 0.00 C ATOM 946 C PRO A 63 -16.030 3.267 -3.396 1.00 0.00 C ATOM 947 O PRO A 63 -14.803 3.314 -3.476 1.00 0.00 O ATOM 948 CB PRO A 63 -17.516 2.286 -1.580 1.00 0.00 C ATOM 949 CG PRO A 63 -16.663 1.753 -0.440 1.00 0.00 C ATOM 950 CD PRO A 63 -15.574 0.880 -1.041 1.00 0.00 C ATOM 0 HA PRO A 63 -17.388 1.700 -3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.710 3.352 -1.457 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.484 1.787 -1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.224 2.575 0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.273 1.177 0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.583 1.218 -0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.671 -0.155 -0.714 1.00 0.00 H new ATOM 997 N ARG A 68 -13.222 11.547 -3.623 1.00 0.00 N ATOM 998 CA ARG A 68 -12.537 10.598 -2.762 1.00 0.00 C ATOM 999 C ARG A 68 -11.576 9.735 -3.581 1.00 0.00 C ATOM 1000 O ARG A 68 -11.967 9.152 -4.591 1.00 0.00 O ATOM 1001 CB ARG A 68 -13.535 9.691 -2.038 1.00 0.00 C ATOM 1002 CG ARG A 68 -12.817 8.745 -1.074 1.00 0.00 C ATOM 1003 CD ARG A 68 -13.774 8.229 0.002 1.00 0.00 C ATOM 1004 NE ARG A 68 -14.729 7.266 -0.590 1.00 0.00 N ATOM 1005 CZ ARG A 68 -15.669 6.613 0.109 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -15.844 6.883 1.409 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -16.432 5.692 -0.494 1.00 0.00 N ATOM 0 HA ARG A 68 -11.977 11.168 -2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.253 10.300 -1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.101 9.112 -2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.399 7.904 -1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -11.982 9.264 -0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.210 7.749 0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.315 9.063 0.449 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.669 7.088 -1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.263 7.585 1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.559 6.387 1.941 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.298 5.488 -1.484 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.147 5.195 0.037 1.00 0.00 H new ATOM 1021 N THR A 69 -10.337 9.680 -3.115 1.00 0.00 N ATOM 1022 CA THR A 69 -9.312 8.914 -3.803 1.00 0.00 C ATOM 1023 C THR A 69 -8.940 7.672 -2.991 1.00 0.00 C ATOM 1024 O THR A 69 -9.227 7.597 -1.798 1.00 0.00 O ATOM 1025 CB THR A 69 -8.126 9.843 -4.070 1.00 0.00 C ATOM 1026 OG1 THR A 69 -8.728 11.057 -4.512 1.00 0.00 O ATOM 1027 CG2 THR A 69 -7.283 9.389 -5.264 1.00 0.00 C ATOM 0 H THR A 69 -10.020 10.154 -2.269 1.00 0.00 H new ATOM 0 HA THR A 69 -9.673 8.541 -4.762 1.00 0.00 H new ATOM 0 HB THR A 69 -7.498 9.894 -3.181 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.030 11.717 -4.706 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.455 10.083 -5.410 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.890 8.390 -5.073 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.903 9.370 -6.161 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.305 6.728 -3.671 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.782 5.548 -3.003 1.00 0.00 C ATOM 1037 C TRP A 70 -6.280 5.473 -3.283 1.00 0.00 C ATOM 1038 O TRP A 70 -5.837 5.763 -4.394 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.535 4.291 -3.442 1.00 0.00 C ATOM 1040 CG TRP A 70 -9.990 4.240 -2.971 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.051 4.865 -3.499 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.504 3.495 -1.846 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.206 4.579 -2.801 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.863 3.720 -1.764 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.842 2.660 -0.929 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.676 3.145 -0.780 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.669 2.093 0.048 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -12.039 2.309 0.145 1.00 0.00 C ATOM 0 H TRP A 70 -8.141 6.756 -4.677 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.932 5.616 -1.926 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.514 4.229 -4.530 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.010 3.414 -3.062 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.007 5.512 -4.363 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.140 4.933 -3.008 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.780 2.471 -0.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.738 3.336 -0.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.211 1.442 0.778 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.609 1.834 0.930 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.538 5.083 -2.257 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.102 4.909 -2.396 1.00 0.00 C ATOM 1061 C ARG A 71 -3.668 3.576 -1.781 1.00 0.00 C ATOM 1062 O ARG A 71 -4.283 3.098 -0.830 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.340 6.048 -1.716 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.530 7.363 -2.475 1.00 0.00 C ATOM 1065 CD ARG A 71 -2.626 8.459 -1.906 1.00 0.00 C ATOM 1066 NE ARG A 71 -2.789 9.706 -2.688 1.00 0.00 N ATOM 1067 CZ ARG A 71 -2.080 10.823 -2.476 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -1.180 10.868 -1.485 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -2.271 11.895 -3.257 1.00 0.00 N ATOM 0 H ARG A 71 -5.904 4.883 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.868 4.916 -3.461 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.689 6.162 -0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.279 5.802 -1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.306 7.213 -3.531 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.572 7.677 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.875 8.641 -0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.586 8.135 -1.935 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.484 9.715 -3.434 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.034 10.052 -0.891 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.641 11.719 -1.324 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.956 11.860 -4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.732 12.746 -3.096 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.611 3.015 -2.350 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.171 1.685 -1.964 1.00 0.00 C ATOM 1085 C GLU A 72 -0.768 1.746 -1.357 1.00 0.00 C ATOM 1086 O GLU A 72 -0.046 2.723 -1.549 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.212 0.727 -3.156 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.357 1.252 -4.311 1.00 0.00 C ATOM 1089 CD GLU A 72 -1.197 0.190 -5.401 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -0.761 -0.927 -5.046 1.00 0.00 O ATOM 1091 OE2 GLU A 72 -1.514 0.519 -6.564 1.00 0.00 O ATOM 0 H GLU A 72 -2.046 3.457 -3.075 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.856 1.301 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.852 -0.255 -2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.242 0.600 -3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.818 2.145 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.376 1.546 -3.938 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.424 0.689 -0.635 1.00 0.00 N ATOM 1099 CA ALA A 73 0.909 0.571 -0.069 1.00 0.00 C ATOM 1100 C ALA A 73 1.208 -0.901 0.217 1.00 0.00 C ATOM 1101 O ALA A 73 0.297 -1.684 0.482 1.00 0.00 O ATOM 1102 CB ALA A 73 1.010 1.441 1.185 1.00 0.00 C ATOM 0 H ALA A 73 -1.046 -0.093 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 73 1.659 0.928 -0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.010 1.352 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.818 2.481 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.274 1.110 1.918 1.00 0.00 H new ATOM 1108 N ASP A 74 2.489 -1.235 0.154 1.00 0.00 N ATOM 1109 CA ASP A 74 2.915 -2.610 0.351 1.00 0.00 C ATOM 1110 C ASP A 74 2.795 -2.969 1.834 1.00 0.00 C ATOM 1111 O ASP A 74 2.928 -2.104 2.698 1.00 0.00 O ATOM 1112 CB ASP A 74 4.375 -2.800 -0.065 1.00 0.00 C ATOM 1113 CG ASP A 74 4.663 -2.553 -1.547 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.745 -2.043 -2.226 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.793 -2.880 -1.968 1.00 0.00 O ATOM 0 H ASP A 74 3.246 -0.577 -0.031 1.00 0.00 H new ATOM 0 HA ASP A 74 2.280 -3.251 -0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.996 -2.128 0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.679 -3.817 0.184 1.00 0.00 H new ATOM 1120 N ILE A 75 2.546 -4.246 2.082 1.00 0.00 N ATOM 1121 CA ILE A 75 2.657 -4.782 3.428 1.00 0.00 C ATOM 1122 C ILE A 75 3.706 -5.896 3.443 1.00 0.00 C ATOM 1123 O ILE A 75 3.974 -6.516 2.415 1.00 0.00 O ATOM 1124 CB ILE A 75 1.286 -5.221 3.945 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.267 -4.086 3.831 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.385 -5.761 5.373 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.529 -3.006 4.883 1.00 0.00 C ATOM 0 H ILE A 75 2.268 -4.925 1.374 1.00 0.00 H new ATOM 0 HA ILE A 75 3.000 -4.011 4.118 1.00 0.00 H new ATOM 0 HB ILE A 75 0.930 -6.037 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.316 -3.647 2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.740 -4.483 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.396 -6.066 5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.056 -6.620 5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.773 -4.983 6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.209 -2.211 4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.455 -3.443 5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.528 -2.594 4.740 1.00 0.00 H new ATOM 1139 N ASN A 76 4.271 -6.117 4.621 1.00 0.00 N ATOM 1140 CA ASN A 76 5.305 -7.126 4.778 1.00 0.00 C ATOM 1141 C ASN A 76 6.570 -6.672 4.047 1.00 0.00 C ATOM 1142 O ASN A 76 7.543 -6.263 4.678 1.00 0.00 O ATOM 1143 CB ASN A 76 4.865 -8.463 4.177 1.00 0.00 C ATOM 1144 CG ASN A 76 3.614 -8.994 4.879 1.00 0.00 C ATOM 1145 OD1 ASN A 76 3.663 -9.519 5.979 1.00 0.00 O ATOM 1146 ND2 ASN A 76 2.492 -8.829 4.183 1.00 0.00 N ATOM 0 H ASN A 76 4.032 -5.614 5.476 1.00 0.00 H new ATOM 0 HA ASN A 76 5.493 -7.254 5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.664 -8.339 3.113 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.673 -9.189 4.266 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.603 -9.150 4.565 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.521 -8.381 3.267 1.00 0.00 H new ATOM 1266 N ALA A 84 1.318 -9.464 -3.455 1.00 0.00 N ATOM 1267 CA ALA A 84 -0.133 -9.527 -3.486 1.00 0.00 C ATOM 1268 C ALA A 84 -0.690 -9.021 -2.153 1.00 0.00 C ATOM 1269 O ALA A 84 -1.854 -8.634 -2.069 1.00 0.00 O ATOM 1270 CB ALA A 84 -0.576 -10.957 -3.797 1.00 0.00 C ATOM 0 HA ALA A 84 -0.528 -8.885 -4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.665 -11.004 -3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.179 -11.258 -4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.200 -11.630 -3.026 1.00 0.00 H new ATOM 1276 N ASP A 85 0.169 -9.041 -1.144 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.216 -8.572 0.176 1.00 0.00 C ATOM 1278 C ASP A 85 -0.087 -7.048 0.229 1.00 0.00 C ATOM 1279 O ASP A 85 1.022 -6.517 0.273 1.00 0.00 O ATOM 1280 CB ASP A 85 0.692 -9.161 1.257 1.00 0.00 C ATOM 1281 CG ASP A 85 0.378 -10.606 1.648 1.00 0.00 C ATOM 1282 OD1 ASP A 85 0.046 -11.385 0.728 1.00 0.00 O ATOM 1283 OD2 ASP A 85 0.475 -10.900 2.860 1.00 0.00 O ATOM 0 H ASP A 85 1.130 -9.375 -1.214 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.244 -8.886 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.724 -9.110 0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.624 -8.536 2.148 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.236 -6.388 0.222 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.265 -4.939 0.128 1.00 0.00 C ATOM 1290 C ARG A 86 -2.319 -4.366 1.077 1.00 0.00 C ATOM 1291 O ARG A 86 -3.210 -5.085 1.528 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.576 -4.486 -1.300 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.661 -5.184 -2.308 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.785 -4.548 -3.694 1.00 0.00 C ATOM 1295 NE ARG A 86 -0.315 -3.145 -3.650 1.00 0.00 N ATOM 1296 CZ ARG A 86 0.943 -2.782 -3.362 1.00 0.00 C ATOM 1297 NH1 ARG A 86 1.930 -3.686 -3.420 1.00 0.00 N ATOM 1298 NH2 ARG A 86 1.212 -1.516 -3.016 1.00 0.00 N ATOM 0 H ARG A 86 -2.153 -6.830 0.280 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.279 -4.569 0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.617 -4.705 -1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.452 -3.406 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.373 -5.124 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.917 -6.242 -2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.198 -5.114 -4.417 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.822 -4.583 -4.028 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.991 -2.408 -3.851 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.724 -4.650 -3.683 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.887 -3.411 -3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.460 -0.829 -2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.169 -1.240 -2.797 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.183 -3.077 1.354 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.216 -2.354 2.076 1.00 0.00 C ATOM 1314 C LEU A 87 -3.616 -1.111 1.278 1.00 0.00 C ATOM 1315 O LEU A 87 -2.756 -0.387 0.779 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.756 -2.047 3.503 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.759 -1.299 4.384 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -3.848 -1.934 5.773 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.421 0.191 4.456 1.00 0.00 C ATOM 0 H LEU A 87 -1.373 -2.515 1.091 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.110 -2.968 2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.503 -2.988 3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.840 -1.459 3.450 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.745 -1.384 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.567 -1.384 6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.171 -2.971 5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.869 -1.901 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.149 0.699 5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.424 0.318 4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.449 0.619 3.454 1.00 0.00 H new ATOM 1331 N VAL A 88 -4.920 -0.903 1.182 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.447 0.196 0.391 1.00 0.00 C ATOM 1333 C VAL A 88 -6.399 1.028 1.252 1.00 0.00 C ATOM 1334 O VAL A 88 -7.333 0.493 1.846 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.107 -0.344 -0.880 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.385 0.785 -1.875 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.252 -1.440 -1.519 1.00 0.00 C ATOM 0 H VAL A 88 -5.628 -1.477 1.639 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.641 0.855 0.068 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.063 -0.786 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.854 0.375 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.052 1.516 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.447 1.269 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.744 -1.806 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.274 -1.034 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.128 -2.262 -0.814 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.129 2.325 1.292 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.859 3.215 2.178 1.00 0.00 C ATOM 1349 C TYR A 89 -7.372 4.442 1.422 1.00 0.00 C ATOM 1350 O TYR A 89 -6.710 4.937 0.512 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.856 3.668 3.241 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.662 4.443 2.679 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -3.547 3.764 2.231 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -4.700 5.821 2.620 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -2.424 4.493 1.703 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -3.577 6.551 2.092 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.494 5.851 1.659 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.433 6.540 1.160 1.00 0.00 O ATOM 0 H TYR A 89 -5.414 2.781 0.725 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.722 2.706 2.607 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.372 4.293 3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.489 2.792 3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.517 2.685 2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.573 6.352 2.970 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.545 3.974 1.350 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.594 7.630 2.041 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.624 7.501 1.189 1.00 0.00 H new ATOM 1368 N SER A 90 -8.548 4.898 1.828 1.00 0.00 N ATOM 1369 CA SER A 90 -9.219 5.974 1.119 1.00 0.00 C ATOM 1370 C SER A 90 -8.836 7.323 1.732 1.00 0.00 C ATOM 1371 O SER A 90 -8.191 7.373 2.778 1.00 0.00 O ATOM 1372 CB SER A 90 -10.737 5.790 1.146 1.00 0.00 C ATOM 1373 OG SER A 90 -11.271 5.952 2.458 1.00 0.00 O ATOM 0 H SER A 90 -9.053 4.542 2.639 1.00 0.00 H new ATOM 0 HA SER A 90 -8.897 5.950 0.078 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.202 6.511 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.989 4.798 0.772 1.00 0.00 H new ATOM 0 HG SER A 90 -11.967 6.642 2.445 1.00 0.00 H new ATOM 1379 N SER A 91 -9.250 8.384 1.054 1.00 0.00 N ATOM 1380 CA SER A 91 -8.944 9.729 1.510 1.00 0.00 C ATOM 1381 C SER A 91 -9.493 9.940 2.923 1.00 0.00 C ATOM 1382 O SER A 91 -8.790 10.447 3.796 1.00 0.00 O ATOM 1383 CB SER A 91 -9.518 10.778 0.555 1.00 0.00 C ATOM 1384 OG SER A 91 -9.171 10.512 -0.801 1.00 0.00 O ATOM 0 H SER A 91 -9.795 8.339 0.193 1.00 0.00 H new ATOM 0 HA SER A 91 -7.860 9.847 1.527 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.603 10.803 0.653 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.150 11.765 0.837 1.00 0.00 H new ATOM 0 HG SER A 91 -9.112 11.356 -1.295 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.743 9.541 3.103 1.00 0.00 N ATOM 1391 CA ASP A 92 -11.438 9.799 4.353 1.00 0.00 C ATOM 1392 C ASP A 92 -11.297 8.582 5.270 1.00 0.00 C ATOM 1393 O ASP A 92 -12.086 8.404 6.197 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.930 10.041 4.115 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.678 8.876 3.464 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -13.022 7.836 3.237 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.888 9.052 3.207 1.00 0.00 O ATOM 0 H ASP A 92 -11.293 9.041 2.404 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.997 10.687 4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.403 10.268 5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.044 10.923 3.485 1.00 0.00 H new ATOM 1402 N TRP A 93 -10.286 7.776 4.980 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.764 6.846 5.966 1.00 0.00 C ATOM 1404 C TRP A 93 -10.788 5.723 6.145 1.00 0.00 C ATOM 1405 O TRP A 93 -11.244 5.467 7.258 1.00 0.00 O ATOM 1406 CB TRP A 93 -9.429 7.564 7.274 1.00 0.00 C ATOM 1407 CG TRP A 93 -8.659 8.873 7.086 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -9.096 10.124 7.289 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -7.291 9.011 6.647 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -8.115 11.054 7.014 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.982 10.355 6.611 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -6.347 8.032 6.293 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.728 10.843 6.226 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -5.098 8.536 5.910 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.771 9.886 5.868 1.00 0.00 C ATOM 0 H TRP A 93 -9.815 7.748 4.076 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.825 6.410 5.626 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -10.355 7.773 7.809 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -8.841 6.896 7.903 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -10.092 10.373 7.626 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.204 12.067 7.092 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.567 6.975 6.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -5.510 11.901 6.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.335 7.826 5.627 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.783 10.195 5.561 1.00 0.00 H new ATOM 1426 N LEU A 94 -11.119 5.084 5.033 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.664 3.738 5.077 1.00 0.00 C ATOM 1428 C LEU A 94 -10.589 2.742 4.639 1.00 0.00 C ATOM 1429 O LEU A 94 -9.996 2.892 3.572 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.952 3.655 4.255 1.00 0.00 C ATOM 1431 CG LEU A 94 -14.247 3.982 5.001 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -14.369 5.486 5.252 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -15.463 3.424 4.259 1.00 0.00 C ATOM 0 H LEU A 94 -11.020 5.474 4.096 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.946 3.474 6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.863 4.335 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.035 2.647 3.848 1.00 0.00 H new ATOM 0 HG LEU A 94 -14.213 3.494 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.298 5.692 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.525 5.824 5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -14.371 6.015 4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -16.370 3.670 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.514 3.862 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -15.372 2.341 4.175 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.370 1.746 5.485 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.195 0.900 5.358 1.00 0.00 C ATOM 1447 C ILE A 95 -9.625 -0.500 4.917 1.00 0.00 C ATOM 1448 O ILE A 95 -10.593 -1.050 5.440 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.383 0.914 6.654 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -8.229 2.339 7.190 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -7.030 0.225 6.461 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -7.490 2.344 8.530 1.00 0.00 C ATOM 0 H ILE A 95 -10.986 1.506 6.261 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.529 1.287 4.587 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.930 0.345 7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.683 2.946 6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.212 2.794 7.311 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.473 0.249 7.397 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.189 -0.810 6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.464 0.745 5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.394 3.369 8.889 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.051 1.756 9.257 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.498 1.911 8.400 1.00 0.00 H new ATOM 1464 N TYR A 96 -8.885 -1.037 3.958 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.090 -2.412 3.536 1.00 0.00 C ATOM 1466 C TYR A 96 -7.757 -3.092 3.216 1.00 0.00 C ATOM 1467 O TYR A 96 -6.806 -2.435 2.794 1.00 0.00 O ATOM 1468 CB TYR A 96 -9.931 -2.341 2.260 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.410 -2.040 2.506 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.838 -0.734 2.628 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.318 -3.076 2.605 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.231 -0.452 2.859 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.710 -2.793 2.837 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.099 -1.495 2.952 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.414 -1.228 3.171 1.00 0.00 O ATOM 0 H TYR A 96 -8.143 -0.545 3.461 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.575 -2.987 4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.518 -1.572 1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -9.847 -3.289 1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.128 0.076 2.550 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -11.984 -4.098 2.508 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.579 0.566 2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.430 -3.594 2.918 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.916 -2.069 3.214 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.729 -4.399 3.431 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.528 -5.175 3.170 1.00 0.00 C ATOM 1487 C LYS A 97 -6.833 -6.239 2.114 1.00 0.00 C ATOM 1488 O LYS A 97 -7.995 -6.557 1.865 1.00 0.00 O ATOM 1489 CB LYS A 97 -5.966 -5.745 4.474 1.00 0.00 C ATOM 1490 CG LYS A 97 -6.857 -6.867 5.011 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.241 -8.239 4.732 1.00 0.00 C ATOM 1492 CE LYS A 97 -5.200 -8.599 5.794 1.00 0.00 C ATOM 1493 NZ LYS A 97 -5.856 -9.190 6.982 1.00 0.00 N ATOM 0 H LYS A 97 -8.519 -4.940 3.783 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.743 -4.538 2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.959 -6.125 4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.886 -4.952 5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.000 -6.740 6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.842 -6.806 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.025 -8.997 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.775 -8.239 3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.479 -9.304 5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.644 -7.707 6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.136 -9.429 7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.527 -8.505 7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.367 -10.052 6.704 1.00 0.00 H new ATOM 1507 N THR A 98 -5.769 -6.760 1.521 1.00 0.00 N ATOM 1508 CA THR A 98 -5.903 -7.840 0.559 1.00 0.00 C ATOM 1509 C THR A 98 -4.613 -8.661 0.495 1.00 0.00 C ATOM 1510 O THR A 98 -3.518 -8.112 0.601 1.00 0.00 O ATOM 1511 CB THR A 98 -6.300 -7.228 -0.786 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.292 -8.333 -1.686 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.228 -6.288 -1.341 1.00 0.00 C ATOM 0 H THR A 98 -4.810 -6.454 1.688 1.00 0.00 H new ATOM 0 HA THR A 98 -6.683 -8.541 0.857 1.00 0.00 H new ATOM 0 HB THR A 98 -7.238 -6.683 -0.674 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.201 -8.493 -2.016 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.560 -5.881 -2.296 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.060 -5.472 -0.638 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.299 -6.840 -1.485 1.00 0.00 H new ATOM 1521 N THR A 99 -4.786 -9.963 0.323 1.00 0.00 N ATOM 1522 CA THR A 99 -3.662 -10.835 0.027 1.00 0.00 C ATOM 1523 C THR A 99 -3.789 -11.409 -1.385 1.00 0.00 C ATOM 1524 O THR A 99 -2.936 -12.177 -1.826 1.00 0.00 O ATOM 1525 CB THR A 99 -3.596 -11.908 1.116 1.00 0.00 C ATOM 1526 OG1 THR A 99 -4.919 -12.436 1.163 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.383 -11.315 2.510 1.00 0.00 C ATOM 0 H THR A 99 -5.688 -10.435 0.383 1.00 0.00 H new ATOM 0 HA THR A 99 -2.721 -10.284 0.036 1.00 0.00 H new ATOM 0 HB THR A 99 -2.789 -12.605 0.890 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.966 -13.140 1.843 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.344 -12.119 3.245 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.446 -10.759 2.530 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.208 -10.644 2.750 1.00 0.00 H new ATOM 1535 N ASP A 100 -4.862 -11.016 -2.055 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.310 -11.730 -3.238 1.00 0.00 C ATOM 1537 C ASP A 100 -5.191 -10.813 -4.458 1.00 0.00 C ATOM 1538 O ASP A 100 -5.961 -10.936 -5.408 1.00 0.00 O ATOM 1539 CB ASP A 100 -6.774 -12.152 -3.106 1.00 0.00 C ATOM 1540 CG ASP A 100 -7.733 -11.038 -2.683 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -7.684 -9.970 -3.331 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.494 -11.279 -1.721 1.00 0.00 O ATOM 0 H ASP A 100 -5.435 -10.211 -1.801 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.688 -12.618 -3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.108 -12.554 -4.062 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.839 -12.962 -2.379 1.00 0.00 H new ATOM 1547 N HIS A 101 -4.218 -9.916 -4.390 1.00 0.00 N ATOM 1548 CA HIS A 101 -3.850 -9.123 -5.551 1.00 0.00 C ATOM 1549 C HIS A 101 -4.982 -8.151 -5.889 1.00 0.00 C ATOM 1550 O HIS A 101 -5.441 -8.099 -7.029 1.00 0.00 O ATOM 1551 CB HIS A 101 -3.472 -10.025 -6.728 1.00 0.00 C ATOM 1552 CG HIS A 101 -2.630 -9.344 -7.779 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -1.329 -8.932 -7.546 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -2.915 -9.007 -9.069 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -0.863 -8.373 -8.653 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -1.847 -8.420 -9.596 1.00 0.00 N ATOM 0 H HIS A 101 -3.674 -9.721 -3.550 1.00 0.00 H new ATOM 0 HA HIS A 101 -2.964 -8.530 -5.324 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.930 -10.891 -6.349 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.384 -10.398 -7.194 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -0.816 -9.040 -6.671 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.851 -9.187 -9.576 1.00 0.00 H new ATOM 0 HE1 HIS A 101 0.123 -7.954 -8.785 1.00 0.00 H new ATOM 1564 N TYR A 102 -5.399 -7.404 -4.877 1.00 0.00 N ATOM 1565 CA TYR A 102 -6.570 -6.554 -5.007 1.00 0.00 C ATOM 1566 C TYR A 102 -7.562 -7.137 -6.016 1.00 0.00 C ATOM 1567 O TYR A 102 -7.894 -6.492 -7.009 1.00 0.00 O ATOM 1568 CB TYR A 102 -6.059 -5.210 -5.531 1.00 0.00 C ATOM 1569 CG TYR A 102 -5.016 -5.332 -6.644 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -3.691 -5.552 -6.327 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -5.401 -5.221 -7.965 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -2.710 -5.666 -7.374 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -4.419 -5.335 -9.012 1.00 0.00 C ATOM 1574 CZ TYR A 102 -3.122 -5.552 -8.665 1.00 0.00 C ATOM 1575 OH TYR A 102 -2.195 -5.660 -9.655 1.00 0.00 O ATOM 0 H TYR A 102 -4.947 -7.370 -3.963 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.085 -6.462 -4.051 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.905 -4.631 -5.902 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -5.627 -4.649 -4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.390 -5.639 -5.293 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -6.438 -5.049 -8.213 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.670 -5.838 -7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.706 -5.250 -10.050 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.148 -6.591 -9.959 1.00 0.00 H new ATOM 1585 N ALA A 103 -8.006 -8.351 -5.727 1.00 0.00 N ATOM 1586 CA ALA A 103 -9.164 -8.906 -6.406 1.00 0.00 C ATOM 1587 C ALA A 103 -10.395 -8.760 -5.509 1.00 0.00 C ATOM 1588 O ALA A 103 -11.436 -8.278 -5.951 1.00 0.00 O ATOM 1589 CB ALA A 103 -8.886 -10.363 -6.783 1.00 0.00 C ATOM 0 H ALA A 103 -7.584 -8.966 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.363 -8.363 -7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.755 -10.779 -7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.021 -10.409 -7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.684 -10.940 -5.881 1.00 0.00 H new ATOM 1595 N THR A 104 -10.234 -9.187 -4.265 1.00 0.00 N ATOM 1596 CA THR A 104 -11.208 -8.872 -3.234 1.00 0.00 C ATOM 1597 C THR A 104 -10.521 -8.224 -2.031 1.00 0.00 C ATOM 1598 O THR A 104 -9.294 -8.187 -1.957 1.00 0.00 O ATOM 1599 CB THR A 104 -11.959 -10.158 -2.884 1.00 0.00 C ATOM 1600 OG1 THR A 104 -10.934 -11.144 -2.788 1.00 0.00 O ATOM 1601 CG2 THR A 104 -12.843 -10.651 -4.032 1.00 0.00 C ATOM 0 H THR A 104 -9.444 -9.748 -3.948 1.00 0.00 H new ATOM 0 HA THR A 104 -11.934 -8.140 -3.587 1.00 0.00 H new ATOM 0 HB THR A 104 -12.573 -9.990 -1.999 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.225 -10.822 -2.193 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.353 -11.566 -3.731 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.581 -9.887 -4.276 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.225 -10.851 -4.907 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.343 -7.727 -1.117 1.00 0.00 N ATOM 1610 CA PHE A 105 -10.837 -6.948 0.000 1.00 0.00 C ATOM 1611 C PHE A 105 -11.582 -7.292 1.291 1.00 0.00 C ATOM 1612 O PHE A 105 -12.678 -7.849 1.250 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.078 -5.475 -0.337 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.112 -4.909 -1.380 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -8.876 -4.484 -1.002 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -10.489 -4.831 -2.684 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -7.980 -3.959 -1.970 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -9.592 -4.305 -3.652 1.00 0.00 C ATOM 1619 CZ PHE A 105 -8.357 -3.881 -3.275 1.00 0.00 C ATOM 0 H PHE A 105 -12.356 -7.849 -1.128 1.00 0.00 H new ATOM 0 HA PHE A 105 -9.780 -7.163 0.155 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.099 -5.359 -0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -10.996 -4.886 0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -8.577 -4.546 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -11.470 -5.169 -2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.999 -3.621 -1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -9.892 -4.242 -4.688 1.00 0.00 H new ATOM 0 HZ PHE A 105 -7.675 -3.482 -4.011 1.00 0.00 H new ATOM 1629 N THR A 106 -10.958 -6.946 2.407 1.00 0.00 N ATOM 1630 CA THR A 106 -11.600 -7.098 3.702 1.00 0.00 C ATOM 1631 C THR A 106 -11.288 -5.896 4.595 1.00 0.00 C ATOM 1632 O THR A 106 -10.142 -5.456 4.673 1.00 0.00 O ATOM 1633 CB THR A 106 -11.150 -8.432 4.300 1.00 0.00 C ATOM 1634 OG1 THR A 106 -11.660 -9.408 3.395 1.00 0.00 O ATOM 1635 CG2 THR A 106 -11.852 -8.748 5.622 1.00 0.00 C ATOM 0 H THR A 106 -10.014 -6.561 2.442 1.00 0.00 H new ATOM 0 HA THR A 106 -12.685 -7.119 3.605 1.00 0.00 H new ATOM 0 HB THR A 106 -10.072 -8.413 4.457 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.412 -10.304 3.706 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.496 -9.705 6.003 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.632 -7.964 6.347 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.928 -8.800 5.459 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.329 -5.398 5.248 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.208 -4.181 6.032 1.00 0.00 C ATOM 1645 C ARG A 107 -11.538 -4.478 7.374 1.00 0.00 C ATOM 1646 O ARG A 107 -11.878 -5.456 8.039 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.579 -3.549 6.283 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.462 -2.034 6.453 1.00 0.00 C ATOM 1649 CD ARG A 107 -14.813 -1.417 6.821 1.00 0.00 C ATOM 1650 NE ARG A 107 -15.090 -1.626 8.260 1.00 0.00 N ATOM 1651 CZ ARG A 107 -16.131 -1.088 8.910 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -17.075 -0.423 8.230 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -16.228 -1.216 10.240 1.00 0.00 N ATOM 0 H ARG A 107 -13.260 -5.816 5.250 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.596 -3.481 5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.245 -3.775 5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.026 -3.985 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.731 -1.807 7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -13.094 -1.588 5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -14.809 -0.351 6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.603 -1.868 6.221 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.449 -2.216 8.790 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.001 -0.326 7.217 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.867 -0.014 8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.510 -1.723 10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.020 -0.807 10.735 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.597 -3.617 7.733 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.882 -3.771 8.989 1.00 0.00 C ATOM 1669 C ILE A 108 -10.385 -2.726 9.988 1.00 0.00 C ATOM 1670 O ILE A 108 -10.540 -3.020 11.172 1.00 0.00 O ATOM 1671 CB ILE A 108 -8.371 -3.720 8.755 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.823 -2.315 9.010 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -8.015 -4.229 7.356 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.795 -2.000 10.507 1.00 0.00 C ATOM 0 H ILE A 108 -10.313 -2.811 7.176 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.081 -4.751 9.423 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.892 -4.387 9.472 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.817 -2.233 8.599 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.440 -1.581 8.492 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.935 -4.182 7.216 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.351 -5.260 7.248 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.506 -3.607 6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.401 -0.995 10.660 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.806 -2.059 10.910 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.158 -2.721 11.019 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.625 -1.529 9.473 1.00 0.00 N ATOM 1687 CA ARG A 109 -11.337 -0.517 10.234 1.00 0.00 C ATOM 1688 C ARG A 109 -12.590 -1.118 10.874 1.00 0.00 C ATOM 1689 O ARG A 109 -12.866 -0.749 12.037 1.00 0.00 O ATOM 1690 CB ARG A 109 -11.742 0.659 9.343 1.00 0.00 C ATOM 1691 CG ARG A 109 -12.172 1.862 10.184 1.00 0.00 C ATOM 1692 CD ARG A 109 -12.592 3.033 9.292 1.00 0.00 C ATOM 1693 NE ARG A 109 -12.653 4.279 10.088 1.00 0.00 N ATOM 1694 CZ ARG A 109 -11.608 5.093 10.289 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -10.376 4.702 9.938 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -11.796 6.300 10.841 1.00 0.00 N ATOM 0 H ARG A 109 -10.339 -1.238 8.538 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.666 -0.154 11.012 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.906 0.939 8.702 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.559 0.358 8.687 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.001 1.579 10.833 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -11.351 2.170 10.832 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.883 3.149 8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -13.565 2.829 8.845 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.546 4.534 10.510 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.233 3.784 9.517 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.581 5.322 10.091 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.734 6.598 11.108 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.001 6.920 10.994 1.00 0.00 H new