USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 688 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.53! USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= -0.0102 (180deg=-0.16) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.735 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00352 USER MOD Single : A 39 CYS SG : rot 86:sc= -2.61 USER MOD Single : A 42 GLN : amide:sc= -0.977 K(o=-0.98,f=-3.1!) USER MOD Single : A 43 SER OG : rot 180:sc= -1.94 USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= -0.6 (180deg=-1.34) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 49 THR OG1 : rot 18:sc= 0.342 USER MOD Single : A 51 THR OG1 : rot 81:sc= 0.0267 USER MOD Single : A 52 SER OG : rot 139:sc= 1.07 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0345) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0699 K(o=-0.07,f=-0.98) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 54:sc= -3.17! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.466 6.447 3.617 1.00 5.02 N ATOM 2 CA MET A 1 17.740 7.052 4.947 1.00 4.66 C ATOM 3 C MET A 1 17.168 8.463 5.039 1.00 4.42 C ATOM 4 O MET A 1 17.796 9.428 4.603 1.00 4.63 O ATOM 5 CB MET A 1 19.253 7.078 5.167 1.00 4.39 C ATOM 6 CG MET A 1 19.668 6.711 6.582 1.00 4.63 C ATOM 7 SD MET A 1 19.724 8.140 7.680 1.00 5.44 S ATOM 8 CE MET A 1 19.265 7.389 9.239 1.00 5.68 C ATOM 0 H1 MET A 1 17.866 5.488 3.583 1.00 5.02 H new ATOM 0 H2 MET A 1 16.439 6.399 3.462 1.00 5.02 H new ATOM 0 H3 MET A 1 17.901 7.030 2.874 1.00 5.02 H new ATOM 0 HA MET A 1 17.258 6.453 5.720 1.00 4.66 H new ATOM 0 HB2 MET A 1 19.725 6.388 4.468 1.00 4.39 H new ATOM 0 HB3 MET A 1 19.629 8.074 4.934 1.00 4.39 H new ATOM 0 HG2 MET A 1 18.969 5.977 6.983 1.00 4.63 H new ATOM 0 HG3 MET A 1 20.649 6.237 6.558 1.00 4.63 H new ATOM 0 HE1 MET A 1 19.255 8.149 10.020 1.00 5.68 H new ATOM 0 HE2 MET A 1 18.273 6.946 9.151 1.00 5.68 H new ATOM 0 HE3 MET A 1 19.987 6.614 9.496 1.00 5.68 H new ATOM 20 N GLY A 2 15.973 8.574 5.608 1.00 4.11 N ATOM 21 CA GLY A 2 15.334 9.869 5.746 1.00 4.01 C ATOM 22 C GLY A 2 14.387 10.176 4.601 1.00 3.33 C ATOM 23 O GLY A 2 14.037 11.334 4.371 1.00 3.34 O ATOM 0 H GLY A 2 15.435 7.790 5.976 1.00 4.11 H new ATOM 0 HA2 GLY A 2 14.784 9.900 6.686 1.00 4.01 H new ATOM 0 HA3 GLY A 2 16.099 10.644 5.798 1.00 4.01 H new ATOM 27 N GLN A 3 13.971 9.137 3.883 1.00 2.87 N ATOM 28 CA GLN A 3 13.059 9.301 2.756 1.00 2.29 C ATOM 29 C GLN A 3 12.339 7.996 2.447 1.00 1.97 C ATOM 30 O GLN A 3 12.972 6.964 2.224 1.00 2.17 O ATOM 31 CB GLN A 3 13.821 9.767 1.520 1.00 2.41 C ATOM 32 CG GLN A 3 13.197 10.974 0.838 1.00 3.17 C ATOM 33 CD GLN A 3 13.857 11.300 -0.488 1.00 3.60 C ATOM 34 OE1 GLN A 3 13.279 11.082 -1.552 1.00 3.44 O ATOM 35 NE2 GLN A 3 15.075 11.824 -0.429 1.00 4.47 N ATOM 0 H GLN A 3 14.251 8.173 4.062 1.00 2.87 H new ATOM 0 HA GLN A 3 12.320 10.054 3.029 1.00 2.29 H new ATOM 0 HB2 GLN A 3 14.845 10.010 1.805 1.00 2.41 H new ATOM 0 HB3 GLN A 3 13.876 8.945 0.806 1.00 2.41 H new ATOM 0 HG2 GLN A 3 12.136 10.786 0.675 1.00 3.17 H new ATOM 0 HG3 GLN A 3 13.270 11.838 1.498 1.00 3.17 H new ATOM 0 HE21 GLN A 3 15.516 11.988 0.476 1.00 4.47 H new ATOM 0 HE22 GLN A 3 15.570 12.063 -1.288 1.00 4.47 H new ATOM 44 N VAL A 4 11.014 8.048 2.433 1.00 1.57 N ATOM 45 CA VAL A 4 10.212 6.869 2.152 1.00 1.29 C ATOM 46 C VAL A 4 9.006 7.204 1.284 1.00 1.28 C ATOM 47 O VAL A 4 8.414 8.276 1.411 1.00 1.44 O ATOM 48 CB VAL A 4 9.722 6.199 3.453 1.00 1.17 C ATOM 49 CG1 VAL A 4 10.896 5.900 4.367 1.00 1.39 C ATOM 50 CG2 VAL A 4 8.698 7.071 4.162 1.00 1.57 C ATOM 0 H VAL A 4 10.474 8.894 2.613 1.00 1.57 H new ATOM 0 HA VAL A 4 10.858 6.177 1.611 1.00 1.29 H new ATOM 0 HB VAL A 4 9.237 5.258 3.191 1.00 1.17 H new ATOM 0 HG11 VAL A 4 10.535 5.428 5.281 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.589 5.228 3.861 1.00 1.39 H new ATOM 0 HG13 VAL A 4 11.408 6.829 4.617 1.00 1.39 H new ATOM 0 HG21 VAL A 4 8.369 6.576 5.076 1.00 1.57 H new ATOM 0 HG22 VAL A 4 9.149 8.032 4.412 1.00 1.57 H new ATOM 0 HG23 VAL A 4 7.841 7.232 3.507 1.00 1.57 H new ATOM 60 N VAL A 5 8.626 6.265 0.430 1.00 1.14 N ATOM 61 CA VAL A 5 7.468 6.445 -0.427 1.00 1.22 C ATOM 62 C VAL A 5 6.279 5.759 0.221 1.00 1.03 C ATOM 63 O VAL A 5 6.352 4.588 0.594 1.00 0.92 O ATOM 64 CB VAL A 5 7.689 5.867 -1.837 1.00 1.29 C ATOM 65 CG1 VAL A 5 8.733 6.675 -2.590 1.00 1.79 C ATOM 66 CG2 VAL A 5 8.093 4.403 -1.759 1.00 1.70 C ATOM 0 H VAL A 5 9.104 5.371 0.314 1.00 1.14 H new ATOM 0 HA VAL A 5 7.291 7.514 -0.541 1.00 1.22 H new ATOM 0 HB VAL A 5 6.749 5.932 -2.385 1.00 1.29 H new ATOM 0 HG11 VAL A 5 8.875 6.250 -3.584 1.00 1.79 H new ATOM 0 HG12 VAL A 5 8.397 7.708 -2.681 1.00 1.79 H new ATOM 0 HG13 VAL A 5 9.677 6.647 -2.046 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.244 4.013 -2.766 1.00 1.70 H new ATOM 0 HG22 VAL A 5 9.019 4.311 -1.191 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.306 3.834 -1.264 1.00 1.70 H new ATOM 76 N GLN A 6 5.202 6.499 0.404 1.00 1.03 N ATOM 77 CA GLN A 6 4.030 5.955 1.061 1.00 0.85 C ATOM 78 C GLN A 6 2.961 5.519 0.072 1.00 0.83 C ATOM 79 O GLN A 6 2.774 6.137 -0.976 1.00 0.94 O ATOM 80 CB GLN A 6 3.451 6.982 2.028 1.00 0.83 C ATOM 81 CG GLN A 6 4.219 7.089 3.333 1.00 1.45 C ATOM 82 CD GLN A 6 4.515 8.525 3.720 1.00 1.81 C ATOM 83 OE1 GLN A 6 4.251 8.942 4.848 1.00 2.26 O ATOM 84 NE2 GLN A 6 5.068 9.291 2.785 1.00 2.01 N ATOM 0 H GLN A 6 5.115 7.472 0.109 1.00 1.03 H new ATOM 0 HA GLN A 6 4.349 5.068 1.608 1.00 0.85 H new ATOM 0 HB2 GLN A 6 3.438 7.958 1.543 1.00 0.83 H new ATOM 0 HB3 GLN A 6 2.416 6.720 2.246 1.00 0.83 H new ATOM 0 HG2 GLN A 6 3.645 6.613 4.128 1.00 1.45 H new ATOM 0 HG3 GLN A 6 5.156 6.540 3.245 1.00 1.45 H new ATOM 0 HE21 GLN A 6 5.270 8.905 1.863 1.00 2.01 H new ATOM 0 HE22 GLN A 6 5.290 10.265 2.990 1.00 2.01 H new ATOM 93 N PHE A 7 2.247 4.455 0.428 1.00 0.74 N ATOM 94 CA PHE A 7 1.180 3.939 -0.406 1.00 0.78 C ATOM 95 C PHE A 7 -0.160 4.456 0.110 1.00 0.62 C ATOM 96 O PHE A 7 -0.431 4.425 1.318 1.00 0.55 O ATOM 97 CB PHE A 7 1.208 2.404 -0.426 1.00 0.86 C ATOM 98 CG PHE A 7 -0.076 1.775 -0.891 1.00 0.97 C ATOM 99 CD1 PHE A 7 -0.640 2.136 -2.104 1.00 1.14 C ATOM 100 CD2 PHE A 7 -0.723 0.837 -0.107 1.00 0.98 C ATOM 101 CE1 PHE A 7 -1.826 1.570 -2.526 1.00 1.29 C ATOM 102 CE2 PHE A 7 -1.910 0.269 -0.521 1.00 1.17 C ATOM 103 CZ PHE A 7 -2.463 0.635 -1.733 1.00 1.29 C ATOM 0 H PHE A 7 2.393 3.935 1.293 1.00 0.74 H new ATOM 0 HA PHE A 7 1.320 4.286 -1.430 1.00 0.78 H new ATOM 0 HB2 PHE A 7 2.018 2.074 -1.076 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.436 2.042 0.577 1.00 0.86 H new ATOM 0 HD1 PHE A 7 -0.146 2.868 -2.726 1.00 1.14 H new ATOM 0 HD2 PHE A 7 -0.294 0.546 0.840 1.00 0.98 H new ATOM 0 HE1 PHE A 7 -2.255 1.857 -3.474 1.00 1.29 H new ATOM 0 HE2 PHE A 7 -2.406 -0.461 0.101 1.00 1.17 H new ATOM 0 HZ PHE A 7 -3.392 0.191 -2.060 1.00 1.29 H new ATOM 113 N LYS A 8 -0.974 4.947 -0.821 1.00 0.60 N ATOM 114 CA LYS A 8 -2.283 5.505 -0.506 1.00 0.54 C ATOM 115 C LYS A 8 -3.397 4.714 -1.188 1.00 0.68 C ATOM 116 O LYS A 8 -3.232 4.233 -2.310 1.00 0.77 O ATOM 117 CB LYS A 8 -2.325 6.964 -0.964 1.00 0.61 C ATOM 118 CG LYS A 8 -3.476 7.769 -0.389 1.00 1.40 C ATOM 119 CD LYS A 8 -3.708 9.046 -1.184 1.00 2.22 C ATOM 120 CE LYS A 8 -2.437 9.878 -1.303 1.00 1.88 C ATOM 121 NZ LYS A 8 -2.499 10.822 -2.453 1.00 2.42 N ATOM 0 H LYS A 8 -0.743 4.969 -1.814 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.441 5.446 0.571 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -1.387 7.446 -0.688 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -2.388 6.989 -2.052 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -4.383 7.165 -0.394 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -3.265 8.019 0.651 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -4.071 8.793 -2.180 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -4.486 9.638 -0.702 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -2.282 10.438 -0.381 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -1.579 9.216 -1.422 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -1.616 11.370 -2.500 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 -2.622 10.286 -3.336 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -3.302 11.470 -2.327 1.00 2.42 H new ATOM 135 N LEU A 9 -4.532 4.590 -0.508 1.00 0.86 N ATOM 136 CA LEU A 9 -5.677 3.866 -1.052 1.00 1.06 C ATOM 137 C LEU A 9 -6.178 4.540 -2.326 1.00 1.74 C ATOM 138 O LEU A 9 -6.641 5.681 -2.293 1.00 2.24 O ATOM 139 CB LEU A 9 -6.799 3.802 -0.007 1.00 1.28 C ATOM 140 CG LEU A 9 -8.019 2.946 -0.374 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.812 3.587 -1.502 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.602 1.533 -0.746 1.00 1.96 C ATOM 0 H LEU A 9 -4.684 4.982 0.421 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.365 2.851 -1.300 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.379 3.419 0.923 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -7.141 4.818 0.192 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.662 2.888 0.504 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.671 2.962 -1.744 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -9.157 4.573 -1.190 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -8.177 3.687 -2.382 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.486 0.948 -1.002 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -6.929 1.566 -1.602 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.092 1.070 0.099 1.00 1.96 H new ATOM 154 N SER A 10 -6.079 3.832 -3.447 1.00 2.11 N ATOM 155 CA SER A 10 -6.519 4.370 -4.730 1.00 2.83 C ATOM 156 C SER A 10 -7.702 3.580 -5.280 1.00 2.93 C ATOM 157 O SER A 10 -8.110 2.573 -4.702 1.00 3.26 O ATOM 158 CB SER A 10 -5.368 4.352 -5.737 1.00 3.76 C ATOM 159 OG SER A 10 -5.522 5.374 -6.707 1.00 4.49 O ATOM 0 H SER A 10 -5.699 2.887 -3.493 1.00 2.11 H new ATOM 0 HA SER A 10 -6.838 5.400 -4.570 1.00 2.83 H new ATOM 0 HB2 SER A 10 -4.421 4.483 -5.214 1.00 3.76 H new ATOM 0 HB3 SER A 10 -5.328 3.381 -6.231 1.00 3.76 H new ATOM 0 HG SER A 10 -4.773 5.342 -7.338 1.00 4.49 H new ATOM 165 N ASP A 11 -8.246 4.054 -6.405 1.00 3.22 N ATOM 166 CA ASP A 11 -9.390 3.415 -7.068 1.00 3.68 C ATOM 167 C ASP A 11 -10.721 3.913 -6.503 1.00 3.44 C ATOM 168 O ASP A 11 -11.764 3.763 -7.140 1.00 4.01 O ATOM 169 CB ASP A 11 -9.315 1.887 -6.964 1.00 4.18 C ATOM 170 CG ASP A 11 -9.807 1.197 -8.221 1.00 4.90 C ATOM 171 OD1 ASP A 11 -9.459 1.661 -9.327 1.00 5.24 O ATOM 172 OD2 ASP A 11 -10.542 0.195 -8.099 1.00 5.41 O ATOM 0 H ASP A 11 -7.908 4.890 -6.882 1.00 3.22 H new ATOM 0 HA ASP A 11 -9.340 3.694 -8.120 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -8.285 1.589 -6.769 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -9.910 1.554 -6.113 1.00 4.18 H new ATOM 177 N ILE A 12 -10.685 4.511 -5.315 1.00 2.82 N ATOM 178 CA ILE A 12 -11.893 5.030 -4.686 1.00 2.70 C ATOM 179 C ILE A 12 -11.904 6.557 -4.718 1.00 2.96 C ATOM 180 O ILE A 12 -10.858 7.195 -4.829 1.00 3.29 O ATOM 181 CB ILE A 12 -12.024 4.531 -3.224 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.297 3.027 -3.204 1.00 1.94 C ATOM 183 CG2 ILE A 12 -13.133 5.270 -2.480 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.836 2.343 -1.935 1.00 1.97 C ATOM 0 H ILE A 12 -9.833 4.647 -4.771 1.00 2.82 H new ATOM 0 HA ILE A 12 -12.746 4.658 -5.254 1.00 2.70 H new ATOM 0 HB ILE A 12 -11.082 4.735 -2.716 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -13.367 2.859 -3.329 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -11.800 2.565 -4.057 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -13.198 4.896 -1.458 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -12.911 6.337 -2.462 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -14.084 5.106 -2.987 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -12.063 1.278 -1.993 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -10.761 2.479 -1.818 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -12.352 2.778 -1.079 1.00 1.97 H new ATOM 196 N GLY A 13 -13.098 7.131 -4.613 1.00 3.15 N ATOM 197 CA GLY A 13 -13.233 8.574 -4.624 1.00 3.67 C ATOM 198 C GLY A 13 -13.665 9.118 -3.277 1.00 3.84 C ATOM 199 O GLY A 13 -14.234 8.393 -2.462 1.00 3.63 O ATOM 0 H GLY A 13 -13.976 6.620 -4.520 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -12.282 9.024 -4.908 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -13.961 8.863 -5.382 1.00 3.67 H new ATOM 203 N GLU A 14 -13.391 10.395 -3.041 1.00 4.49 N ATOM 204 CA GLU A 14 -13.752 11.031 -1.781 1.00 4.81 C ATOM 205 C GLU A 14 -15.259 11.251 -1.689 1.00 4.15 C ATOM 206 O GLU A 14 -15.759 12.328 -2.014 1.00 4.04 O ATOM 207 CB GLU A 14 -13.021 12.367 -1.638 1.00 5.76 C ATOM 208 CG GLU A 14 -12.737 12.753 -0.197 1.00 6.16 C ATOM 209 CD GLU A 14 -12.838 14.247 0.036 1.00 7.04 C ATOM 210 OE1 GLU A 14 -13.947 14.799 -0.124 1.00 7.72 O ATOM 211 OE2 GLU A 14 -11.809 14.866 0.379 1.00 7.20 O ATOM 0 H GLU A 14 -12.920 11.010 -3.705 1.00 4.49 H new ATOM 0 HA GLU A 14 -13.453 10.368 -0.969 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -12.079 12.317 -2.184 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -13.618 13.150 -2.104 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -13.440 12.238 0.458 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -11.738 12.413 0.076 1.00 6.16 H new ATOM 218 N GLY A 15 -15.980 10.227 -1.238 1.00 3.81 N ATOM 219 CA GLY A 15 -17.421 10.343 -1.110 1.00 3.32 C ATOM 220 C GLY A 15 -18.132 9.003 -1.166 1.00 2.93 C ATOM 221 O GLY A 15 -19.242 8.864 -0.652 1.00 3.13 O ATOM 0 H GLY A 15 -15.594 9.325 -0.961 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -17.658 10.834 -0.166 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -17.801 10.983 -1.907 1.00 3.32 H new ATOM 225 N ILE A 16 -17.500 8.017 -1.794 1.00 2.53 N ATOM 226 CA ILE A 16 -18.096 6.691 -1.914 1.00 2.22 C ATOM 227 C ILE A 16 -17.539 5.729 -0.868 1.00 1.91 C ATOM 228 O ILE A 16 -16.837 6.136 0.058 1.00 1.88 O ATOM 229 CB ILE A 16 -17.879 6.100 -3.328 1.00 2.22 C ATOM 230 CG1 ILE A 16 -16.409 5.714 -3.554 1.00 2.32 C ATOM 231 CG2 ILE A 16 -18.333 7.097 -4.384 1.00 2.54 C ATOM 232 CD1 ILE A 16 -16.226 4.648 -4.614 1.00 2.22 C ATOM 0 H ILE A 16 -16.580 8.110 -2.226 1.00 2.53 H new ATOM 0 HA ILE A 16 -19.166 6.812 -1.743 1.00 2.22 H new ATOM 0 HB ILE A 16 -18.477 5.193 -3.412 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -15.847 6.603 -3.842 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -15.985 5.359 -2.615 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -18.177 6.673 -5.376 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -19.392 7.316 -4.246 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -17.756 8.017 -4.288 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -15.165 4.422 -4.724 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -16.760 3.745 -4.318 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -16.620 5.008 -5.564 1.00 2.22 H new ATOM 244 N ARG A 17 -17.855 4.451 -1.035 1.00 1.82 N ATOM 245 CA ARG A 17 -17.393 3.411 -0.126 1.00 1.64 C ATOM 246 C ARG A 17 -15.880 3.241 -0.214 1.00 1.22 C ATOM 247 O ARG A 17 -15.269 3.532 -1.243 1.00 1.14 O ATOM 248 CB ARG A 17 -18.081 2.082 -0.448 1.00 1.77 C ATOM 249 CG ARG A 17 -19.597 2.176 -0.510 1.00 2.27 C ATOM 250 CD ARG A 17 -20.256 0.952 0.105 1.00 2.75 C ATOM 251 NE ARG A 17 -20.141 -0.223 -0.756 1.00 3.16 N ATOM 252 CZ ARG A 17 -20.563 -1.435 -0.408 1.00 3.76 C ATOM 253 NH1 ARG A 17 -21.125 -1.629 0.777 1.00 4.04 N ATOM 254 NH2 ARG A 17 -20.427 -2.454 -1.246 1.00 4.40 N ATOM 0 H ARG A 17 -18.436 4.108 -1.800 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.650 3.713 0.889 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -17.710 1.713 -1.404 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.802 1.347 0.307 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -19.929 3.072 0.015 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -19.914 2.279 -1.548 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -19.797 0.740 1.071 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -21.309 1.163 0.292 1.00 2.75 H new ATOM 0 HE ARG A 17 -19.713 -0.107 -1.675 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -21.234 -0.848 1.424 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -21.448 -2.559 1.042 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -19.998 -2.309 -2.160 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -20.752 -3.383 -0.977 1.00 4.40 H new ATOM 268 N GLU A 18 -15.284 2.760 0.870 1.00 1.16 N ATOM 269 CA GLU A 18 -13.845 2.538 0.922 1.00 0.91 C ATOM 270 C GLU A 18 -13.545 1.074 0.630 1.00 0.63 C ATOM 271 O GLU A 18 -14.470 0.275 0.480 1.00 0.66 O ATOM 272 CB GLU A 18 -13.300 2.947 2.287 1.00 1.29 C ATOM 273 CG GLU A 18 -13.217 4.452 2.465 1.00 1.64 C ATOM 274 CD GLU A 18 -14.377 5.005 3.271 1.00 1.83 C ATOM 275 OE1 GLU A 18 -14.867 4.293 4.172 1.00 2.11 O ATOM 276 OE2 GLU A 18 -14.794 6.151 3.001 1.00 2.17 O ATOM 0 H GLU A 18 -15.778 2.515 1.728 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.354 3.151 0.166 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -13.937 2.529 3.067 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.308 2.516 2.420 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -12.280 4.705 2.961 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -13.198 4.930 1.486 1.00 1.64 H new ATOM 283 N VAL A 19 -12.269 0.711 0.513 1.00 0.63 N ATOM 284 CA VAL A 19 -11.941 -0.682 0.195 1.00 0.57 C ATOM 285 C VAL A 19 -11.049 -1.343 1.240 1.00 0.41 C ATOM 286 O VAL A 19 -10.230 -0.694 1.891 1.00 0.47 O ATOM 287 CB VAL A 19 -11.284 -0.810 -1.193 1.00 0.93 C ATOM 288 CG1 VAL A 19 -9.896 -0.203 -1.191 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.235 -2.267 -1.628 1.00 1.16 C ATOM 0 H VAL A 19 -11.470 1.334 0.628 1.00 0.63 H new ATOM 0 HA VAL A 19 -12.896 -1.208 0.193 1.00 0.57 H new ATOM 0 HB VAL A 19 -11.892 -0.258 -1.910 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.453 -0.305 -2.181 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -9.961 0.853 -0.930 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.274 -0.720 -0.460 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.768 -2.338 -2.610 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.654 -2.842 -0.907 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.248 -2.666 -1.678 1.00 1.16 H new ATOM 299 N THR A 20 -11.228 -2.654 1.386 1.00 0.37 N ATOM 300 CA THR A 20 -10.466 -3.443 2.345 1.00 0.30 C ATOM 301 C THR A 20 -9.302 -4.144 1.669 1.00 0.33 C ATOM 302 O THR A 20 -9.321 -4.375 0.460 1.00 0.65 O ATOM 303 CB THR A 20 -11.346 -4.526 3.003 1.00 0.43 C ATOM 304 OG1 THR A 20 -12.728 -4.162 2.919 1.00 0.69 O ATOM 305 CG2 THR A 20 -10.952 -4.747 4.457 1.00 0.54 C ATOM 0 H THR A 20 -11.902 -3.195 0.845 1.00 0.37 H new ATOM 0 HA THR A 20 -10.101 -2.748 3.101 1.00 0.30 H new ATOM 0 HB THR A 20 -11.189 -5.459 2.462 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.276 -4.858 3.338 1.00 0.69 H new ATOM 0 HG21 THR A 20 -11.590 -5.516 4.894 1.00 0.54 H new ATOM 0 HG22 THR A 20 -9.911 -5.067 4.507 1.00 0.54 H new ATOM 0 HG23 THR A 20 -11.073 -3.817 5.012 1.00 0.54 H new ATOM 313 N VAL A 21 -8.297 -4.499 2.456 1.00 0.28 N ATOM 314 CA VAL A 21 -7.137 -5.194 1.919 1.00 0.25 C ATOM 315 C VAL A 21 -7.445 -6.676 1.732 1.00 0.29 C ATOM 316 O VAL A 21 -7.991 -7.324 2.625 1.00 0.33 O ATOM 317 CB VAL A 21 -5.905 -5.047 2.827 1.00 0.29 C ATOM 318 CG1 VAL A 21 -4.704 -5.737 2.201 1.00 1.39 C ATOM 319 CG2 VAL A 21 -5.607 -3.579 3.092 1.00 1.21 C ATOM 0 H VAL A 21 -8.261 -4.319 3.459 1.00 0.28 H new ATOM 0 HA VAL A 21 -6.909 -4.736 0.956 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.118 -5.526 3.782 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -3.839 -5.625 2.854 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -4.922 -6.796 2.066 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.488 -5.285 1.233 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -4.732 -3.496 3.736 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.412 -3.071 2.148 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.464 -3.117 3.582 1.00 1.21 H new ATOM 329 N LYS A 22 -7.104 -7.204 0.563 1.00 0.36 N ATOM 330 CA LYS A 22 -7.356 -8.608 0.259 1.00 0.46 C ATOM 331 C LYS A 22 -6.067 -9.422 0.309 1.00 0.52 C ATOM 332 O LYS A 22 -6.098 -10.636 0.510 1.00 0.66 O ATOM 333 CB LYS A 22 -8.002 -8.740 -1.122 1.00 0.52 C ATOM 334 CG LYS A 22 -8.674 -10.084 -1.357 1.00 0.78 C ATOM 335 CD LYS A 22 -10.052 -10.137 -0.719 1.00 1.48 C ATOM 336 CE LYS A 22 -10.708 -11.492 -0.924 1.00 2.16 C ATOM 337 NZ LYS A 22 -9.987 -12.574 -0.197 1.00 2.95 N ATOM 0 H LYS A 22 -6.653 -6.683 -0.189 1.00 0.36 H new ATOM 0 HA LYS A 22 -8.037 -9.000 1.015 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -8.741 -7.948 -1.245 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -7.240 -8.586 -1.886 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -8.761 -10.266 -2.428 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -8.052 -10.880 -0.948 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -9.969 -9.930 0.348 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -10.683 -9.358 -1.147 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -11.742 -11.450 -0.581 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -10.735 -11.725 -1.988 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -10.569 -13.436 -0.191 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -9.083 -12.769 -0.673 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -9.805 -12.273 0.782 1.00 2.95 H new ATOM 351 N GLU A 23 -4.935 -8.751 0.121 1.00 0.46 N ATOM 352 CA GLU A 23 -3.640 -9.422 0.143 1.00 0.56 C ATOM 353 C GLU A 23 -2.621 -8.633 0.958 1.00 0.42 C ATOM 354 O GLU A 23 -2.323 -7.479 0.650 1.00 0.42 O ATOM 355 CB GLU A 23 -3.121 -9.621 -1.283 1.00 0.73 C ATOM 356 CG GLU A 23 -1.975 -10.614 -1.380 1.00 1.09 C ATOM 357 CD GLU A 23 -2.388 -11.920 -2.029 1.00 1.33 C ATOM 358 OE1 GLU A 23 -3.089 -12.715 -1.368 1.00 1.63 O ATOM 359 OE2 GLU A 23 -2.010 -12.148 -3.197 1.00 2.13 O ATOM 0 H GLU A 23 -4.888 -7.746 -0.048 1.00 0.46 H new ATOM 0 HA GLU A 23 -3.777 -10.394 0.616 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -3.941 -9.962 -1.915 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -2.792 -8.660 -1.679 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -1.161 -10.169 -1.953 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -1.588 -10.815 -0.381 1.00 1.09 H new ATOM 366 N TRP A 24 -2.083 -9.268 1.993 1.00 0.35 N ATOM 367 CA TRP A 24 -1.088 -8.634 2.851 1.00 0.26 C ATOM 368 C TRP A 24 0.133 -9.534 3.003 1.00 0.24 C ATOM 369 O TRP A 24 0.038 -10.636 3.545 1.00 0.33 O ATOM 370 CB TRP A 24 -1.686 -8.326 4.227 1.00 0.37 C ATOM 371 CG TRP A 24 -2.177 -6.917 4.362 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.433 -6.522 4.711 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.422 -5.718 4.153 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.509 -5.150 4.731 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.286 -4.634 4.394 1.00 0.47 C ATOM 376 CE3 TRP A 24 -0.098 -5.455 3.788 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -1.871 -3.309 4.280 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.312 -4.141 3.675 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.571 -3.082 3.923 1.00 0.70 C ATOM 0 H TRP A 24 -2.320 -10.224 2.259 1.00 0.35 H new ATOM 0 HA TRP A 24 -0.780 -7.698 2.385 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.513 -9.010 4.417 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -0.933 -8.515 4.992 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -4.250 -7.190 4.939 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.340 -4.605 4.959 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.591 -6.264 3.598 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.551 -2.491 4.467 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.331 -3.926 3.390 1.00 0.83 H new ATOM 0 HH2 TRP A 24 -0.218 -2.066 3.830 1.00 0.70 H new ATOM 390 N TYR A 25 1.278 -9.066 2.516 1.00 0.20 N ATOM 391 CA TYR A 25 2.509 -9.844 2.599 1.00 0.31 C ATOM 392 C TYR A 25 3.675 -8.981 3.068 1.00 0.27 C ATOM 393 O TYR A 25 4.795 -9.108 2.571 1.00 0.36 O ATOM 394 CB TYR A 25 2.830 -10.476 1.245 1.00 0.42 C ATOM 395 CG TYR A 25 2.242 -11.858 1.074 1.00 0.70 C ATOM 396 CD1 TYR A 25 2.724 -12.935 1.808 1.00 1.16 C ATOM 397 CD2 TYR A 25 1.201 -12.086 0.182 1.00 1.07 C ATOM 398 CE1 TYR A 25 2.186 -14.199 1.657 1.00 1.44 C ATOM 399 CE2 TYR A 25 0.658 -13.347 0.025 1.00 1.34 C ATOM 400 CZ TYR A 25 1.154 -14.400 0.765 1.00 1.36 C ATOM 401 OH TYR A 25 0.616 -15.658 0.614 1.00 1.72 O ATOM 0 H TYR A 25 1.379 -8.158 2.063 1.00 0.20 H new ATOM 0 HA TYR A 25 2.358 -10.636 3.332 1.00 0.31 H new ATOM 0 HB2 TYR A 25 2.455 -9.829 0.452 1.00 0.42 H new ATOM 0 HB3 TYR A 25 3.912 -10.532 1.126 1.00 0.42 H new ATOM 0 HD1 TYR A 25 3.532 -12.782 2.508 1.00 1.16 H new ATOM 0 HD2 TYR A 25 0.810 -11.264 -0.398 1.00 1.07 H new ATOM 0 HE1 TYR A 25 2.572 -15.026 2.235 1.00 1.44 H new ATOM 0 HE2 TYR A 25 -0.150 -13.507 -0.673 1.00 1.34 H new ATOM 0 HH TYR A 25 -0.103 -15.629 -0.052 1.00 1.72 H new ATOM 411 N VAL A 26 3.404 -8.108 4.031 1.00 0.22 N ATOM 412 CA VAL A 26 4.426 -7.225 4.580 1.00 0.22 C ATOM 413 C VAL A 26 4.030 -6.751 5.976 1.00 0.22 C ATOM 414 O VAL A 26 2.848 -6.737 6.321 1.00 0.31 O ATOM 415 CB VAL A 26 4.675 -6.006 3.664 1.00 0.28 C ATOM 416 CG1 VAL A 26 4.964 -6.458 2.242 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.489 -5.051 3.690 1.00 0.40 C ATOM 0 H VAL A 26 2.481 -7.993 4.449 1.00 0.22 H new ATOM 0 HA VAL A 26 5.352 -7.797 4.644 1.00 0.22 H new ATOM 0 HB VAL A 26 5.547 -5.472 4.043 1.00 0.28 H new ATOM 0 HG11 VAL A 26 5.137 -5.586 1.611 1.00 0.50 H new ATOM 0 HG12 VAL A 26 5.850 -7.092 2.235 1.00 0.50 H new ATOM 0 HG13 VAL A 26 4.112 -7.020 1.859 1.00 0.50 H new ATOM 0 HG21 VAL A 26 3.691 -4.202 3.037 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.596 -5.571 3.344 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.330 -4.696 4.708 1.00 0.40 H new ATOM 427 N LYS A 27 5.018 -6.372 6.778 1.00 0.24 N ATOM 428 CA LYS A 27 4.755 -5.911 8.138 1.00 0.26 C ATOM 429 C LYS A 27 5.639 -4.724 8.508 1.00 0.29 C ATOM 430 O LYS A 27 6.628 -4.436 7.835 1.00 0.42 O ATOM 431 CB LYS A 27 4.975 -7.050 9.133 1.00 0.38 C ATOM 432 CG LYS A 27 3.884 -8.108 9.098 1.00 0.61 C ATOM 433 CD LYS A 27 2.741 -7.766 10.040 1.00 0.99 C ATOM 434 CE LYS A 27 1.397 -8.170 9.454 1.00 1.52 C ATOM 435 NZ LYS A 27 0.502 -8.777 10.478 1.00 1.89 N ATOM 0 H LYS A 27 6.003 -6.374 6.513 1.00 0.24 H new ATOM 0 HA LYS A 27 3.716 -5.586 8.182 1.00 0.26 H new ATOM 0 HB2 LYS A 27 5.935 -7.523 8.925 1.00 0.38 H new ATOM 0 HB3 LYS A 27 5.035 -6.636 10.139 1.00 0.38 H new ATOM 0 HG2 LYS A 27 3.502 -8.204 8.082 1.00 0.61 H new ATOM 0 HG3 LYS A 27 4.305 -9.075 9.373 1.00 0.61 H new ATOM 0 HD2 LYS A 27 2.890 -8.272 10.994 1.00 0.99 H new ATOM 0 HD3 LYS A 27 2.744 -6.695 10.243 1.00 0.99 H new ATOM 0 HE2 LYS A 27 0.912 -7.295 9.022 1.00 1.52 H new ATOM 0 HE3 LYS A 27 1.554 -8.881 8.643 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 -0.403 -9.038 10.037 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 0.953 -9.627 10.873 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 0.331 -8.090 11.240 1.00 1.89 H new ATOM 449 N GLU A 28 5.273 -4.044 9.591 1.00 0.30 N ATOM 450 CA GLU A 28 6.029 -2.887 10.067 1.00 0.34 C ATOM 451 C GLU A 28 7.493 -3.253 10.285 1.00 0.38 C ATOM 452 O GLU A 28 7.800 -4.286 10.880 1.00 0.42 O ATOM 453 CB GLU A 28 5.429 -2.359 11.375 1.00 0.42 C ATOM 454 CG GLU A 28 3.910 -2.391 11.411 1.00 0.35 C ATOM 455 CD GLU A 28 3.330 -1.401 12.402 1.00 1.10 C ATOM 456 OE1 GLU A 28 3.711 -1.457 13.590 1.00 1.23 O ATOM 457 OE2 GLU A 28 2.495 -0.568 11.990 1.00 2.03 O ATOM 0 H GLU A 28 4.456 -4.274 10.157 1.00 0.30 H new ATOM 0 HA GLU A 28 5.971 -2.108 9.307 1.00 0.34 H new ATOM 0 HB2 GLU A 28 5.815 -2.950 12.205 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.765 -1.334 11.530 1.00 0.42 H new ATOM 0 HG2 GLU A 28 3.522 -2.173 10.416 1.00 0.35 H new ATOM 0 HG3 GLU A 28 3.577 -3.396 11.670 1.00 0.35 H new ATOM 464 N GLY A 29 8.397 -2.408 9.795 1.00 0.39 N ATOM 465 CA GLY A 29 9.813 -2.683 9.949 1.00 0.45 C ATOM 466 C GLY A 29 10.290 -3.799 9.034 1.00 0.40 C ATOM 467 O GLY A 29 11.450 -4.208 9.101 1.00 0.44 O ATOM 0 H GLY A 29 8.176 -1.545 9.298 1.00 0.39 H new ATOM 0 HA2 GLY A 29 10.381 -1.777 9.739 1.00 0.45 H new ATOM 0 HA3 GLY A 29 10.017 -2.954 10.985 1.00 0.45 H new ATOM 471 N ASP A 30 9.391 -4.307 8.192 1.00 0.34 N ATOM 472 CA ASP A 30 9.722 -5.396 7.280 1.00 0.31 C ATOM 473 C ASP A 30 10.107 -4.868 5.905 1.00 0.25 C ATOM 474 O ASP A 30 9.687 -3.783 5.506 1.00 0.24 O ATOM 475 CB ASP A 30 8.539 -6.357 7.153 1.00 0.31 C ATOM 476 CG ASP A 30 8.979 -7.800 7.009 1.00 0.91 C ATOM 477 OD1 ASP A 30 9.400 -8.397 8.022 1.00 1.27 O ATOM 478 OD2 ASP A 30 8.903 -8.334 5.882 1.00 1.36 O ATOM 0 H ASP A 30 8.427 -3.980 8.124 1.00 0.34 H new ATOM 0 HA ASP A 30 10.578 -5.929 7.693 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.900 -6.261 8.031 1.00 0.31 H new ATOM 0 HB3 ASP A 30 7.937 -6.076 6.289 1.00 0.31 H new ATOM 483 N THR A 31 10.908 -5.644 5.183 1.00 0.23 N ATOM 484 CA THR A 31 11.349 -5.252 3.853 1.00 0.18 C ATOM 485 C THR A 31 10.525 -5.940 2.768 1.00 0.18 C ATOM 486 O THR A 31 10.049 -7.062 2.945 1.00 0.30 O ATOM 487 CB THR A 31 12.837 -5.578 3.633 1.00 0.19 C ATOM 488 OG1 THR A 31 13.595 -5.209 4.792 1.00 0.31 O ATOM 489 CG2 THR A 31 13.374 -4.843 2.415 1.00 0.30 C ATOM 0 H THR A 31 11.264 -6.547 5.497 1.00 0.23 H new ATOM 0 HA THR A 31 11.206 -4.174 3.783 1.00 0.18 H new ATOM 0 HB THR A 31 12.932 -6.650 3.463 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.541 -5.421 4.646 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.427 -5.087 2.278 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.813 -5.146 1.531 1.00 0.30 H new ATOM 0 HG23 THR A 31 13.267 -3.768 2.562 1.00 0.30 H new ATOM 497 N VAL A 32 10.366 -5.251 1.644 1.00 0.14 N ATOM 498 CA VAL A 32 9.608 -5.767 0.511 1.00 0.14 C ATOM 499 C VAL A 32 10.545 -6.172 -0.617 1.00 0.14 C ATOM 500 O VAL A 32 11.709 -5.775 -0.638 1.00 0.18 O ATOM 501 CB VAL A 32 8.584 -4.737 -0.038 1.00 0.20 C ATOM 502 CG1 VAL A 32 7.169 -5.193 0.260 1.00 0.28 C ATOM 503 CG2 VAL A 32 8.820 -3.336 0.520 1.00 0.18 C ATOM 0 H VAL A 32 10.758 -4.321 1.493 1.00 0.14 H new ATOM 0 HA VAL A 32 9.058 -6.634 0.878 1.00 0.14 H new ATOM 0 HB VAL A 32 8.724 -4.682 -1.118 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.461 -4.462 -0.130 1.00 0.28 H new ATOM 0 HG12 VAL A 32 6.991 -6.159 -0.213 1.00 0.28 H new ATOM 0 HG13 VAL A 32 7.036 -5.287 1.338 1.00 0.28 H new ATOM 0 HG21 VAL A 32 8.080 -2.651 0.107 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.730 -3.357 1.606 1.00 0.18 H new ATOM 0 HG23 VAL A 32 9.819 -2.999 0.246 1.00 0.18 H new ATOM 513 N SER A 33 10.029 -6.960 -1.555 1.00 0.23 N ATOM 514 CA SER A 33 10.821 -7.415 -2.690 1.00 0.31 C ATOM 515 C SER A 33 10.026 -7.299 -3.988 1.00 0.33 C ATOM 516 O SER A 33 8.812 -7.098 -3.968 1.00 0.35 O ATOM 517 CB SER A 33 11.277 -8.861 -2.477 1.00 0.38 C ATOM 518 OG SER A 33 10.378 -9.780 -3.076 1.00 1.42 O ATOM 0 H SER A 33 9.066 -7.296 -1.551 1.00 0.23 H new ATOM 0 HA SER A 33 11.701 -6.777 -2.768 1.00 0.31 H new ATOM 0 HB2 SER A 33 12.273 -8.996 -2.899 1.00 0.38 H new ATOM 0 HB3 SER A 33 11.353 -9.067 -1.409 1.00 0.38 H new ATOM 0 HG SER A 33 10.696 -10.695 -2.925 1.00 1.42 H new ATOM 524 N GLN A 34 10.720 -7.426 -5.113 1.00 0.37 N ATOM 525 CA GLN A 34 10.081 -7.334 -6.420 1.00 0.41 C ATOM 526 C GLN A 34 8.918 -8.314 -6.529 1.00 0.43 C ATOM 527 O GLN A 34 7.879 -7.997 -7.108 1.00 0.52 O ATOM 528 CB GLN A 34 11.100 -7.608 -7.528 1.00 0.44 C ATOM 529 CG GLN A 34 10.645 -7.145 -8.902 1.00 0.76 C ATOM 530 CD GLN A 34 10.811 -8.215 -9.964 1.00 1.54 C ATOM 531 OE1 GLN A 34 11.709 -8.140 -10.802 1.00 2.38 O ATOM 532 NE2 GLN A 34 9.941 -9.219 -9.934 1.00 1.72 N ATOM 0 H GLN A 34 11.726 -7.593 -5.146 1.00 0.37 H new ATOM 0 HA GLN A 34 9.691 -6.323 -6.535 1.00 0.41 H new ATOM 0 HB2 GLN A 34 12.038 -7.111 -7.279 1.00 0.44 H new ATOM 0 HB3 GLN A 34 11.306 -8.678 -7.564 1.00 0.44 H new ATOM 0 HG2 GLN A 34 9.598 -6.847 -8.852 1.00 0.76 H new ATOM 0 HG3 GLN A 34 11.214 -6.261 -9.190 1.00 0.76 H new ATOM 0 HE21 GLN A 34 9.212 -9.241 -9.221 1.00 1.72 H new ATOM 0 HE22 GLN A 34 10.002 -9.968 -10.624 1.00 1.72 H new ATOM 541 N PHE A 35 9.100 -9.506 -5.972 1.00 0.43 N ATOM 542 CA PHE A 35 8.067 -10.534 -6.010 1.00 0.48 C ATOM 543 C PHE A 35 7.150 -10.444 -4.793 1.00 0.43 C ATOM 544 O PHE A 35 6.029 -10.952 -4.814 1.00 0.47 O ATOM 545 CB PHE A 35 8.707 -11.922 -6.077 1.00 0.58 C ATOM 546 CG PHE A 35 7.824 -12.961 -6.707 1.00 0.99 C ATOM 547 CD1 PHE A 35 7.809 -13.135 -8.082 1.00 1.86 C ATOM 548 CD2 PHE A 35 7.007 -13.762 -5.925 1.00 1.12 C ATOM 549 CE1 PHE A 35 6.997 -14.089 -8.665 1.00 2.52 C ATOM 550 CE2 PHE A 35 6.193 -14.719 -6.502 1.00 1.64 C ATOM 551 CZ PHE A 35 6.188 -14.882 -7.874 1.00 2.31 C ATOM 0 H PHE A 35 9.954 -9.784 -5.488 1.00 0.43 H new ATOM 0 HA PHE A 35 7.464 -10.370 -6.903 1.00 0.48 H new ATOM 0 HB2 PHE A 35 9.637 -11.857 -6.641 1.00 0.58 H new ATOM 0 HB3 PHE A 35 8.968 -12.242 -5.068 1.00 0.58 H new ATOM 0 HD1 PHE A 35 8.439 -12.518 -8.705 1.00 1.86 H new ATOM 0 HD2 PHE A 35 7.006 -13.637 -4.852 1.00 1.12 H new ATOM 0 HE1 PHE A 35 6.995 -14.215 -9.738 1.00 2.52 H new ATOM 0 HE2 PHE A 35 5.562 -15.338 -5.881 1.00 1.64 H new ATOM 0 HZ PHE A 35 5.553 -15.628 -8.328 1.00 2.31 H new ATOM 561 N ASP A 36 7.628 -9.800 -3.732 1.00 0.36 N ATOM 562 CA ASP A 36 6.841 -9.656 -2.512 1.00 0.34 C ATOM 563 C ASP A 36 6.069 -8.339 -2.506 1.00 0.25 C ATOM 564 O ASP A 36 6.596 -7.300 -2.110 1.00 0.21 O ATOM 565 CB ASP A 36 7.747 -9.735 -1.282 1.00 0.41 C ATOM 566 CG ASP A 36 7.339 -10.846 -0.335 1.00 0.76 C ATOM 567 OD1 ASP A 36 7.307 -12.016 -0.771 1.00 1.69 O ATOM 568 OD2 ASP A 36 7.050 -10.547 0.843 1.00 0.84 O ATOM 0 H ASP A 36 8.553 -9.371 -3.692 1.00 0.36 H new ATOM 0 HA ASP A 36 6.122 -10.474 -2.480 1.00 0.34 H new ATOM 0 HB2 ASP A 36 8.777 -9.894 -1.602 1.00 0.41 H new ATOM 0 HB3 ASP A 36 7.721 -8.782 -0.753 1.00 0.41 H new ATOM 573 N SER A 37 4.813 -8.395 -2.940 1.00 0.26 N ATOM 574 CA SER A 37 3.961 -7.212 -2.979 1.00 0.21 C ATOM 575 C SER A 37 3.655 -6.725 -1.566 1.00 0.23 C ATOM 576 O SER A 37 3.782 -7.479 -0.601 1.00 0.28 O ATOM 577 CB SER A 37 2.658 -7.518 -3.720 1.00 0.25 C ATOM 578 OG SER A 37 2.899 -7.773 -5.093 1.00 0.94 O ATOM 0 H SER A 37 4.363 -9.249 -3.270 1.00 0.26 H new ATOM 0 HA SER A 37 4.494 -6.425 -3.512 1.00 0.21 H new ATOM 0 HB2 SER A 37 2.172 -8.382 -3.266 1.00 0.25 H new ATOM 0 HB3 SER A 37 1.972 -6.677 -3.618 1.00 0.25 H new ATOM 0 HG SER A 37 2.051 -7.967 -5.543 1.00 0.94 H new ATOM 584 N ILE A 38 3.253 -5.464 -1.446 1.00 0.22 N ATOM 585 CA ILE A 38 2.932 -4.893 -0.141 1.00 0.27 C ATOM 586 C ILE A 38 1.494 -5.214 0.254 1.00 0.27 C ATOM 587 O ILE A 38 1.253 -6.062 1.116 1.00 0.27 O ATOM 588 CB ILE A 38 3.157 -3.368 -0.117 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.572 -3.056 -0.640 1.00 0.36 C ATOM 590 CG2 ILE A 38 2.939 -2.830 1.297 1.00 0.34 C ATOM 591 CD1 ILE A 38 5.181 -1.769 -0.116 1.00 0.47 C ATOM 0 H ILE A 38 3.142 -4.821 -2.230 1.00 0.22 H new ATOM 0 HA ILE A 38 3.608 -5.347 0.584 1.00 0.27 H new ATOM 0 HB ILE A 38 2.437 -2.872 -0.768 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.230 -3.884 -0.378 1.00 0.36 H new ATOM 0 HG13 ILE A 38 4.538 -3.007 -1.728 1.00 0.36 H new ATOM 0 HG21 ILE A 38 3.100 -1.752 1.305 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.919 -3.047 1.616 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.642 -3.307 1.980 1.00 0.34 H new ATOM 0 HD11 ILE A 38 6.176 -1.638 -0.541 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.551 -0.926 -0.400 1.00 0.47 H new ATOM 0 HD13 ILE A 38 5.254 -1.817 0.970 1.00 0.47 H new ATOM 603 N CYS A 39 0.540 -4.545 -0.387 1.00 0.32 N ATOM 604 CA CYS A 39 -0.873 -4.776 -0.104 1.00 0.34 C ATOM 605 C CYS A 39 -1.697 -4.751 -1.387 1.00 0.40 C ATOM 606 O CYS A 39 -1.344 -4.073 -2.351 1.00 0.55 O ATOM 607 CB CYS A 39 -1.418 -3.739 0.886 1.00 0.40 C ATOM 608 SG CYS A 39 -0.556 -2.146 0.874 1.00 1.29 S ATOM 0 H CYS A 39 0.719 -3.841 -1.103 1.00 0.32 H new ATOM 0 HA CYS A 39 -0.957 -5.764 0.349 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -2.472 -3.567 0.666 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.366 -4.156 1.892 1.00 0.40 H new ATOM 0 HG CYS A 39 -1.064 -1.385 -0.049 1.00 1.29 H new ATOM 614 N GLU A 40 -2.798 -5.494 -1.391 1.00 0.36 N ATOM 615 CA GLU A 40 -3.673 -5.554 -2.555 1.00 0.44 C ATOM 616 C GLU A 40 -5.136 -5.471 -2.136 1.00 0.48 C ATOM 617 O GLU A 40 -5.591 -6.230 -1.281 1.00 0.50 O ATOM 618 CB GLU A 40 -3.428 -6.844 -3.340 1.00 0.57 C ATOM 619 CG GLU A 40 -1.959 -7.215 -3.462 1.00 1.15 C ATOM 620 CD GLU A 40 -1.757 -8.633 -3.960 1.00 1.65 C ATOM 621 OE1 GLU A 40 -2.754 -9.267 -4.365 1.00 2.37 O ATOM 622 OE2 GLU A 40 -0.602 -9.109 -3.946 1.00 1.74 O ATOM 0 H GLU A 40 -3.105 -6.063 -0.602 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.446 -4.701 -3.194 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -3.961 -7.661 -2.854 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -3.851 -6.737 -4.339 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -1.468 -6.521 -4.144 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -1.477 -7.103 -2.491 1.00 1.15 H new ATOM 629 N VAL A 41 -5.869 -4.544 -2.743 1.00 0.55 N ATOM 630 CA VAL A 41 -7.281 -4.362 -2.431 1.00 0.64 C ATOM 631 C VAL A 41 -8.159 -4.781 -3.605 1.00 0.92 C ATOM 632 O VAL A 41 -7.770 -4.638 -4.764 1.00 1.08 O ATOM 633 CB VAL A 41 -7.594 -2.898 -2.069 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.860 -2.491 -0.801 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.235 -1.975 -3.223 1.00 1.32 C ATOM 0 H VAL A 41 -5.508 -3.907 -3.454 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.499 -4.995 -1.571 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.664 -2.810 -1.883 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -7.094 -1.454 -0.562 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -7.173 -3.133 0.023 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.786 -2.595 -0.953 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.463 -0.945 -2.949 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.171 -2.065 -3.444 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.813 -2.253 -4.104 1.00 1.32 H new ATOM 645 N GLN A 42 -9.344 -5.298 -3.299 1.00 1.03 N ATOM 646 CA GLN A 42 -10.275 -5.737 -4.332 1.00 1.34 C ATOM 647 C GLN A 42 -11.689 -5.247 -4.035 1.00 1.39 C ATOM 648 O GLN A 42 -12.228 -5.493 -2.956 1.00 1.38 O ATOM 649 CB GLN A 42 -10.261 -7.262 -4.447 1.00 1.58 C ATOM 650 CG GLN A 42 -8.937 -7.823 -4.944 1.00 1.80 C ATOM 651 CD GLN A 42 -9.102 -9.133 -5.690 1.00 2.17 C ATOM 652 OE1 GLN A 42 -10.221 -9.578 -5.948 1.00 2.33 O ATOM 653 NE2 GLN A 42 -7.985 -9.760 -6.041 1.00 2.60 N ATOM 0 H GLN A 42 -9.682 -5.423 -2.345 1.00 1.03 H new ATOM 0 HA GLN A 42 -9.955 -5.307 -5.281 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -10.486 -7.694 -3.472 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -11.056 -7.574 -5.125 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -8.461 -7.094 -5.599 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.269 -7.974 -4.096 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -7.078 -9.356 -5.807 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -8.034 -10.646 -6.544 1.00 2.60 H new ATOM 662 N SER A 43 -12.283 -4.551 -4.999 1.00 1.55 N ATOM 663 CA SER A 43 -13.633 -4.022 -4.842 1.00 1.64 C ATOM 664 C SER A 43 -14.553 -4.532 -5.948 1.00 2.05 C ATOM 665 O SER A 43 -14.096 -4.883 -7.035 1.00 2.29 O ATOM 666 CB SER A 43 -13.608 -2.493 -4.849 1.00 1.43 C ATOM 667 OG SER A 43 -13.078 -1.986 -3.637 1.00 1.73 O ATOM 0 H SER A 43 -11.850 -4.340 -5.898 1.00 1.55 H new ATOM 0 HA SER A 43 -14.021 -4.369 -3.884 1.00 1.64 H new ATOM 0 HB2 SER A 43 -13.008 -2.140 -5.688 1.00 1.43 H new ATOM 0 HB3 SER A 43 -14.618 -2.110 -4.996 1.00 1.43 H new ATOM 0 HG SER A 43 -13.071 -1.006 -3.667 1.00 1.73 H new ATOM 673 N ASP A 44 -15.853 -4.570 -5.661 1.00 2.23 N ATOM 674 CA ASP A 44 -16.843 -5.038 -6.631 1.00 2.66 C ATOM 675 C ASP A 44 -16.590 -4.436 -8.009 1.00 2.80 C ATOM 676 O ASP A 44 -16.792 -5.091 -9.032 1.00 3.14 O ATOM 677 CB ASP A 44 -18.256 -4.686 -6.161 1.00 2.85 C ATOM 678 CG ASP A 44 -18.726 -5.578 -5.029 1.00 3.67 C ATOM 679 OD1 ASP A 44 -18.269 -6.738 -4.960 1.00 3.89 O ATOM 680 OD2 ASP A 44 -19.550 -5.116 -4.212 1.00 4.39 O ATOM 0 H ASP A 44 -16.246 -4.282 -4.765 1.00 2.23 H new ATOM 0 HA ASP A 44 -16.750 -6.121 -6.707 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -18.279 -3.646 -5.835 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -18.947 -4.772 -6.999 1.00 2.85 H new ATOM 685 N LYS A 45 -16.143 -3.185 -8.028 1.00 2.69 N ATOM 686 CA LYS A 45 -15.858 -2.495 -9.278 1.00 2.92 C ATOM 687 C LYS A 45 -14.664 -3.128 -9.985 1.00 3.03 C ATOM 688 O LYS A 45 -14.807 -3.732 -11.048 1.00 3.65 O ATOM 689 CB LYS A 45 -15.584 -1.014 -9.014 1.00 2.89 C ATOM 690 CG LYS A 45 -15.346 -0.205 -10.276 1.00 2.98 C ATOM 691 CD LYS A 45 -14.020 0.535 -10.218 1.00 3.17 C ATOM 692 CE LYS A 45 -14.128 1.807 -9.393 1.00 3.22 C ATOM 693 NZ LYS A 45 -14.221 1.519 -7.935 1.00 3.62 N ATOM 0 H LYS A 45 -15.971 -2.629 -7.191 1.00 2.69 H new ATOM 0 HA LYS A 45 -16.731 -2.586 -9.925 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -16.429 -0.588 -8.473 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -14.713 -0.924 -8.365 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -15.357 -0.867 -11.142 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -16.158 0.510 -10.410 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -13.258 -0.115 -9.788 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -13.695 0.782 -11.229 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -13.260 2.438 -9.583 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -15.006 2.370 -9.708 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -13.907 2.351 -7.396 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -15.206 1.297 -7.687 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -13.614 0.707 -7.702 1.00 3.62 H new ATOM 707 N ALA A 46 -13.487 -2.987 -9.384 1.00 2.58 N ATOM 708 CA ALA A 46 -12.266 -3.546 -9.952 1.00 2.82 C ATOM 709 C ALA A 46 -11.286 -3.944 -8.854 1.00 2.68 C ATOM 710 O ALA A 46 -11.357 -3.440 -7.734 1.00 2.63 O ATOM 711 CB ALA A 46 -11.622 -2.551 -10.905 1.00 2.83 C ATOM 0 H ALA A 46 -13.353 -2.490 -8.503 1.00 2.58 H new ATOM 0 HA ALA A 46 -12.531 -4.444 -10.511 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -10.712 -2.983 -11.321 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -12.316 -2.320 -11.713 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -11.376 -1.637 -10.365 1.00 2.83 H new ATOM 717 N SER A 47 -10.371 -4.849 -9.183 1.00 2.96 N ATOM 718 CA SER A 47 -9.376 -5.313 -8.223 1.00 2.92 C ATOM 719 C SER A 47 -8.043 -4.604 -8.441 1.00 2.26 C ATOM 720 O SER A 47 -7.624 -4.388 -9.578 1.00 2.31 O ATOM 721 CB SER A 47 -9.190 -6.826 -8.343 1.00 3.72 C ATOM 722 OG SER A 47 -9.866 -7.334 -9.479 1.00 4.52 O ATOM 0 H SER A 47 -10.298 -5.276 -10.107 1.00 2.96 H new ATOM 0 HA SER A 47 -9.733 -5.078 -7.220 1.00 2.92 H new ATOM 0 HB2 SER A 47 -8.128 -7.061 -8.413 1.00 3.72 H new ATOM 0 HB3 SER A 47 -9.566 -7.314 -7.444 1.00 3.72 H new ATOM 0 HG SER A 47 -9.730 -8.303 -9.534 1.00 4.52 H new ATOM 728 N VAL A 48 -7.384 -4.238 -7.347 1.00 2.12 N ATOM 729 CA VAL A 48 -6.102 -3.547 -7.425 1.00 1.80 C ATOM 730 C VAL A 48 -5.017 -4.297 -6.659 1.00 1.55 C ATOM 731 O VAL A 48 -5.252 -4.801 -5.560 1.00 1.97 O ATOM 732 CB VAL A 48 -6.198 -2.111 -6.872 1.00 2.53 C ATOM 733 CG1 VAL A 48 -5.027 -1.272 -7.360 1.00 2.98 C ATOM 734 CG2 VAL A 48 -7.521 -1.469 -7.264 1.00 3.50 C ATOM 0 H VAL A 48 -7.715 -4.408 -6.397 1.00 2.12 H new ATOM 0 HA VAL A 48 -5.836 -3.508 -8.481 1.00 1.80 H new ATOM 0 HB VAL A 48 -6.155 -2.160 -5.784 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -5.112 -0.262 -6.960 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -4.093 -1.720 -7.021 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -5.037 -1.233 -8.449 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -7.567 -0.456 -6.863 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -7.600 -1.433 -8.351 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -8.345 -2.057 -6.859 1.00 3.50 H new ATOM 744 N THR A 49 -3.827 -4.357 -7.245 1.00 1.13 N ATOM 745 CA THR A 49 -2.696 -5.033 -6.623 1.00 0.98 C ATOM 746 C THR A 49 -1.477 -4.118 -6.594 1.00 0.69 C ATOM 747 O THR A 49 -1.093 -3.555 -7.618 1.00 0.71 O ATOM 748 CB THR A 49 -2.334 -6.331 -7.369 1.00 1.22 C ATOM 749 OG1 THR A 49 -1.830 -6.022 -8.675 1.00 1.28 O ATOM 750 CG2 THR A 49 -3.547 -7.241 -7.490 1.00 1.46 C ATOM 0 H THR A 49 -3.620 -3.943 -8.154 1.00 1.13 H new ATOM 0 HA THR A 49 -2.991 -5.286 -5.605 1.00 0.98 H new ATOM 0 HB THR A 49 -1.565 -6.851 -6.797 1.00 1.22 H new ATOM 0 HG1 THR A 49 -1.554 -5.082 -8.705 1.00 1.28 H new ATOM 0 HG21 THR A 49 -3.267 -8.151 -8.020 1.00 1.46 H new ATOM 0 HG22 THR A 49 -3.910 -7.498 -6.495 1.00 1.46 H new ATOM 0 HG23 THR A 49 -4.334 -6.727 -8.042 1.00 1.46 H new ATOM 758 N ILE A 50 -0.876 -3.963 -5.418 1.00 0.66 N ATOM 759 CA ILE A 50 0.292 -3.102 -5.279 1.00 0.49 C ATOM 760 C ILE A 50 1.585 -3.904 -5.266 1.00 0.37 C ATOM 761 O ILE A 50 1.926 -4.551 -4.271 1.00 0.36 O ATOM 762 CB ILE A 50 0.218 -2.254 -3.999 1.00 0.66 C ATOM 763 CG1 ILE A 50 -1.131 -1.541 -3.916 1.00 0.95 C ATOM 764 CG2 ILE A 50 1.359 -1.249 -3.963 1.00 0.78 C ATOM 765 CD1 ILE A 50 -1.459 -0.726 -5.148 1.00 1.01 C ATOM 0 H ILE A 50 -1.175 -4.418 -4.556 1.00 0.66 H new ATOM 0 HA ILE A 50 0.292 -2.443 -6.147 1.00 0.49 H new ATOM 0 HB ILE A 50 0.315 -2.913 -3.136 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -1.916 -2.281 -3.760 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -1.134 -0.886 -3.045 1.00 0.95 H new ATOM 0 HG21 ILE A 50 1.293 -0.656 -3.051 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.311 -1.779 -3.983 1.00 0.78 H new ATOM 0 HG23 ILE A 50 1.292 -0.591 -4.829 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -2.430 -0.248 -5.020 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -0.695 0.038 -5.293 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -1.489 -1.380 -6.020 1.00 1.01 H new ATOM 777 N THR A 51 2.313 -3.835 -6.374 1.00 0.41 N ATOM 778 CA THR A 51 3.580 -4.534 -6.499 1.00 0.44 C ATOM 779 C THR A 51 4.719 -3.653 -6.009 1.00 0.40 C ATOM 780 O THR A 51 4.539 -2.455 -5.795 1.00 0.50 O ATOM 781 CB THR A 51 3.853 -4.955 -7.955 1.00 0.56 C ATOM 782 OG1 THR A 51 2.716 -4.654 -8.774 1.00 0.79 O ATOM 783 CG2 THR A 51 4.163 -6.443 -8.036 1.00 1.04 C ATOM 0 H THR A 51 2.044 -3.300 -7.199 1.00 0.41 H new ATOM 0 HA THR A 51 3.519 -5.433 -5.885 1.00 0.44 H new ATOM 0 HB THR A 51 4.717 -4.398 -8.317 1.00 0.56 H new ATOM 0 HG1 THR A 51 2.731 -3.705 -9.019 1.00 0.79 H new ATOM 0 HG21 THR A 51 4.353 -6.719 -9.073 1.00 1.04 H new ATOM 0 HG22 THR A 51 5.045 -6.664 -7.435 1.00 1.04 H new ATOM 0 HG23 THR A 51 3.314 -7.013 -7.658 1.00 1.04 H new ATOM 791 N SER A 52 5.888 -4.248 -5.828 1.00 0.49 N ATOM 792 CA SER A 52 7.047 -3.507 -5.356 1.00 0.56 C ATOM 793 C SER A 52 7.931 -3.063 -6.517 1.00 0.56 C ATOM 794 O SER A 52 8.261 -1.885 -6.640 1.00 0.66 O ATOM 795 CB SER A 52 7.856 -4.359 -4.377 1.00 0.63 C ATOM 796 OG SER A 52 7.012 -4.982 -3.424 1.00 1.36 O ATOM 0 H SER A 52 6.059 -5.239 -6.000 1.00 0.49 H new ATOM 0 HA SER A 52 6.688 -2.615 -4.843 1.00 0.56 H new ATOM 0 HB2 SER A 52 8.413 -5.119 -4.926 1.00 0.63 H new ATOM 0 HB3 SER A 52 8.588 -3.734 -3.865 1.00 0.63 H new ATOM 0 HG SER A 52 7.313 -5.902 -3.273 1.00 1.36 H new ATOM 802 N ARG A 53 8.325 -4.018 -7.359 1.00 0.54 N ATOM 803 CA ARG A 53 9.191 -3.728 -8.504 1.00 0.63 C ATOM 804 C ARG A 53 10.650 -3.525 -8.054 1.00 0.58 C ATOM 805 O ARG A 53 11.527 -3.244 -8.870 1.00 0.68 O ATOM 806 CB ARG A 53 8.657 -2.497 -9.276 1.00 0.83 C ATOM 807 CG ARG A 53 9.379 -1.175 -8.987 1.00 1.39 C ATOM 808 CD ARG A 53 10.475 -0.848 -10.007 1.00 2.19 C ATOM 809 NE ARG A 53 10.775 -1.955 -10.922 1.00 2.73 N ATOM 810 CZ ARG A 53 10.220 -2.106 -12.126 1.00 3.54 C ATOM 811 NH1 ARG A 53 9.296 -1.256 -12.559 1.00 4.04 N ATOM 812 NH2 ARG A 53 10.579 -3.126 -12.894 1.00 4.23 N ATOM 0 H ARG A 53 8.059 -4.999 -7.271 1.00 0.54 H new ATOM 0 HA ARG A 53 9.178 -4.584 -9.179 1.00 0.63 H new ATOM 0 HB2 ARG A 53 8.724 -2.702 -10.344 1.00 0.83 H new ATOM 0 HB3 ARG A 53 7.600 -2.373 -9.041 1.00 0.83 H new ATOM 0 HG2 ARG A 53 8.649 -0.365 -8.976 1.00 1.39 H new ATOM 0 HG3 ARG A 53 9.820 -1.220 -7.991 1.00 1.39 H new ATOM 0 HD2 ARG A 53 10.170 0.021 -10.590 1.00 2.19 H new ATOM 0 HD3 ARG A 53 11.385 -0.571 -9.474 1.00 2.19 H new ATOM 0 HE ARG A 53 11.452 -2.655 -10.618 1.00 2.73 H new ATOM 0 HH11 ARG A 53 9.003 -0.477 -11.969 1.00 4.04 H new ATOM 0 HH12 ARG A 53 8.879 -1.382 -13.481 1.00 4.04 H new ATOM 0 HH21 ARG A 53 11.277 -3.792 -12.564 1.00 4.23 H new ATOM 0 HH22 ARG A 53 10.157 -3.244 -13.815 1.00 4.23 H new ATOM 826 N TYR A 54 10.890 -3.662 -6.751 1.00 0.45 N ATOM 827 CA TYR A 54 12.213 -3.490 -6.176 1.00 0.41 C ATOM 828 C TYR A 54 12.148 -3.815 -4.691 1.00 0.31 C ATOM 829 O TYR A 54 11.064 -4.047 -4.156 1.00 0.28 O ATOM 830 CB TYR A 54 12.724 -2.064 -6.391 1.00 0.50 C ATOM 831 CG TYR A 54 14.074 -2.006 -7.073 1.00 1.15 C ATOM 832 CD1 TYR A 54 15.250 -2.044 -6.334 1.00 1.89 C ATOM 833 CD2 TYR A 54 14.171 -1.914 -8.455 1.00 1.77 C ATOM 834 CE1 TYR A 54 16.485 -1.992 -6.953 1.00 2.72 C ATOM 835 CE2 TYR A 54 15.401 -1.861 -9.083 1.00 2.59 C ATOM 836 CZ TYR A 54 16.556 -1.900 -8.327 1.00 2.95 C ATOM 837 OH TYR A 54 17.788 -1.847 -8.944 1.00 3.88 O ATOM 0 H TYR A 54 10.169 -3.895 -6.068 1.00 0.45 H new ATOM 0 HA TYR A 54 12.910 -4.166 -6.671 1.00 0.41 H new ATOM 0 HB2 TYR A 54 11.999 -1.512 -6.989 1.00 0.50 H new ATOM 0 HB3 TYR A 54 12.790 -1.560 -5.427 1.00 0.50 H new ATOM 0 HD1 TYR A 54 15.198 -2.115 -5.258 1.00 1.89 H new ATOM 0 HD2 TYR A 54 13.270 -1.883 -9.049 1.00 1.77 H new ATOM 0 HE1 TYR A 54 17.389 -2.023 -6.364 1.00 2.72 H new ATOM 0 HE2 TYR A 54 15.459 -1.789 -10.159 1.00 2.59 H new ATOM 0 HH TYR A 54 17.666 -1.785 -9.914 1.00 3.88 H new ATOM 847 N ASP A 55 13.290 -3.844 -4.023 1.00 0.30 N ATOM 848 CA ASP A 55 13.301 -4.157 -2.602 1.00 0.24 C ATOM 849 C ASP A 55 13.325 -2.882 -1.768 1.00 0.23 C ATOM 850 O ASP A 55 14.221 -2.049 -1.903 1.00 0.28 O ATOM 851 CB ASP A 55 14.498 -5.040 -2.249 1.00 0.28 C ATOM 852 CG ASP A 55 14.816 -6.051 -3.336 1.00 1.01 C ATOM 853 OD1 ASP A 55 14.177 -7.124 -3.353 1.00 1.52 O ATOM 854 OD2 ASP A 55 15.702 -5.768 -4.169 1.00 1.33 O ATOM 0 H ASP A 55 14.206 -3.658 -4.432 1.00 0.30 H new ATOM 0 HA ASP A 55 12.387 -4.705 -2.373 1.00 0.24 H new ATOM 0 HB2 ASP A 55 15.371 -4.411 -2.076 1.00 0.28 H new ATOM 0 HB3 ASP A 55 14.295 -5.566 -1.316 1.00 0.28 H new ATOM 859 N GLY A 56 12.315 -2.738 -0.915 1.00 0.18 N ATOM 860 CA GLY A 56 12.207 -1.563 -0.071 1.00 0.18 C ATOM 861 C GLY A 56 11.928 -1.911 1.376 1.00 0.15 C ATOM 862 O GLY A 56 11.564 -3.038 1.682 1.00 0.15 O ATOM 0 H GLY A 56 11.566 -3.419 -0.794 1.00 0.18 H new ATOM 0 HA2 GLY A 56 13.132 -0.990 -0.131 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.410 -0.922 -0.447 1.00 0.18 H new ATOM 866 N VAL A 57 12.108 -0.949 2.272 1.00 0.18 N ATOM 867 CA VAL A 57 11.877 -1.187 3.692 1.00 0.21 C ATOM 868 C VAL A 57 10.580 -0.548 4.179 1.00 0.22 C ATOM 869 O VAL A 57 10.393 0.662 4.069 1.00 0.26 O ATOM 870 CB VAL A 57 13.039 -0.651 4.548 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.855 -1.051 6.003 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.373 -1.150 4.016 1.00 1.11 C ATOM 0 H VAL A 57 12.411 -0.002 2.043 1.00 0.18 H new ATOM 0 HA VAL A 57 11.804 -2.268 3.807 1.00 0.21 H new ATOM 0 HB VAL A 57 13.037 0.437 4.489 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.685 -0.664 6.594 1.00 1.06 H new ATOM 0 HG12 VAL A 57 11.919 -0.638 6.378 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.829 -2.138 6.081 1.00 1.06 H new ATOM 0 HG21 VAL A 57 15.181 -0.760 4.635 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.390 -2.240 4.042 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.506 -0.809 2.989 1.00 1.11 H new ATOM 882 N ILE A 58 9.704 -1.372 4.749 1.00 0.21 N ATOM 883 CA ILE A 58 8.432 -0.903 5.291 1.00 0.24 C ATOM 884 C ILE A 58 8.568 -0.737 6.796 1.00 0.33 C ATOM 885 O ILE A 58 9.035 -1.648 7.488 1.00 0.38 O ATOM 886 CB ILE A 58 7.289 -1.882 4.966 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.388 -2.305 3.503 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.931 -1.252 5.246 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.431 -3.409 3.122 1.00 0.17 C ATOM 0 H ILE A 58 9.854 -2.376 4.848 1.00 0.21 H new ATOM 0 HA ILE A 58 8.186 0.054 4.831 1.00 0.24 H new ATOM 0 HB ILE A 58 7.385 -2.759 5.606 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.198 -1.438 2.870 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.407 -2.633 3.297 1.00 0.20 H new ATOM 0 HG21 ILE A 58 5.143 -1.966 5.007 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.867 -0.979 6.299 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.810 -0.360 4.632 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.560 -3.655 2.068 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.634 -4.292 3.728 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.407 -3.078 3.294 1.00 0.17 H new ATOM 901 N LYS A 59 8.211 0.445 7.293 1.00 0.40 N ATOM 902 CA LYS A 59 8.360 0.745 8.713 1.00 0.53 C ATOM 903 C LYS A 59 7.071 0.579 9.515 1.00 0.52 C ATOM 904 O LYS A 59 7.116 0.105 10.649 1.00 0.61 O ATOM 905 CB LYS A 59 8.904 2.163 8.888 1.00 0.65 C ATOM 906 CG LYS A 59 9.369 2.464 10.302 1.00 0.83 C ATOM 907 CD LYS A 59 10.159 3.759 10.362 1.00 1.03 C ATOM 908 CE LYS A 59 10.898 3.897 11.682 1.00 1.51 C ATOM 909 NZ LYS A 59 10.308 4.961 12.540 1.00 2.14 N ATOM 0 H LYS A 59 7.819 1.205 6.737 1.00 0.40 H new ATOM 0 HA LYS A 59 9.064 0.014 9.111 1.00 0.53 H new ATOM 0 HB2 LYS A 59 9.737 2.311 8.201 1.00 0.65 H new ATOM 0 HB3 LYS A 59 8.130 2.878 8.609 1.00 0.65 H new ATOM 0 HG2 LYS A 59 8.506 2.532 10.964 1.00 0.83 H new ATOM 0 HG3 LYS A 59 9.986 1.643 10.666 1.00 0.83 H new ATOM 0 HD2 LYS A 59 10.873 3.790 9.539 1.00 1.03 H new ATOM 0 HD3 LYS A 59 9.484 4.605 10.231 1.00 1.03 H new ATOM 0 HE2 LYS A 59 10.872 2.946 12.214 1.00 1.51 H new ATOM 0 HE3 LYS A 59 11.946 4.126 11.489 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 10.841 5.023 13.431 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 10.356 5.874 12.043 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 9.315 4.730 12.746 1.00 2.14 H new ATOM 923 N LYS A 60 5.930 0.971 8.959 1.00 0.44 N ATOM 924 CA LYS A 60 4.676 0.841 9.698 1.00 0.45 C ATOM 925 C LYS A 60 3.480 0.570 8.787 1.00 0.37 C ATOM 926 O LYS A 60 3.434 1.013 7.640 1.00 0.53 O ATOM 927 CB LYS A 60 4.428 2.092 10.556 1.00 0.55 C ATOM 928 CG LYS A 60 3.756 3.247 9.824 1.00 0.76 C ATOM 929 CD LYS A 60 4.629 3.795 8.707 1.00 0.51 C ATOM 930 CE LYS A 60 6.008 4.184 9.212 1.00 0.71 C ATOM 931 NZ LYS A 60 5.944 5.245 10.256 1.00 1.35 N ATOM 0 H LYS A 60 5.844 1.371 8.025 1.00 0.44 H new ATOM 0 HA LYS A 60 4.779 -0.027 10.349 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.810 1.813 11.410 1.00 0.55 H new ATOM 0 HB3 LYS A 60 5.382 2.438 10.953 1.00 0.55 H new ATOM 0 HG2 LYS A 60 2.806 2.910 9.410 1.00 0.76 H new ATOM 0 HG3 LYS A 60 3.531 4.044 10.533 1.00 0.76 H new ATOM 0 HD2 LYS A 60 4.727 3.046 7.921 1.00 0.51 H new ATOM 0 HD3 LYS A 60 4.146 4.664 8.261 1.00 0.51 H new ATOM 0 HE2 LYS A 60 6.506 3.304 9.620 1.00 0.71 H new ATOM 0 HE3 LYS A 60 6.614 4.534 8.376 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 6.909 5.528 10.523 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 5.433 6.070 9.882 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 5.446 4.879 11.093 1.00 1.35 H new ATOM 945 N LEU A 61 2.509 -0.153 9.335 1.00 0.35 N ATOM 946 CA LEU A 61 1.285 -0.495 8.621 1.00 0.37 C ATOM 947 C LEU A 61 0.085 -0.288 9.541 1.00 0.56 C ATOM 948 O LEU A 61 0.174 -0.530 10.745 1.00 0.94 O ATOM 949 CB LEU A 61 1.340 -1.942 8.133 1.00 0.39 C ATOM 950 CG LEU A 61 2.364 -2.215 7.027 1.00 0.33 C ATOM 951 CD1 LEU A 61 3.306 -3.334 7.438 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.659 -2.559 5.726 1.00 0.91 C ATOM 0 H LEU A 61 2.549 -0.518 10.287 1.00 0.35 H new ATOM 0 HA LEU A 61 1.184 0.154 7.751 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.564 -2.587 8.982 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.352 -2.225 7.770 1.00 0.39 H new ATOM 0 HG LEU A 61 2.954 -1.312 6.870 1.00 0.33 H new ATOM 0 HD11 LEU A 61 4.027 -3.514 6.640 1.00 1.14 H new ATOM 0 HD12 LEU A 61 3.835 -3.049 8.347 1.00 1.14 H new ATOM 0 HD13 LEU A 61 2.733 -4.243 7.622 1.00 1.14 H new ATOM 0 HD21 LEU A 61 2.400 -2.750 4.950 1.00 0.91 H new ATOM 0 HD22 LEU A 61 1.045 -3.448 5.869 1.00 0.91 H new ATOM 0 HD23 LEU A 61 1.025 -1.725 5.424 1.00 0.91 H new ATOM 964 N TYR A 62 -1.026 0.187 8.987 1.00 0.68 N ATOM 965 CA TYR A 62 -2.214 0.448 9.796 1.00 0.88 C ATOM 966 C TYR A 62 -3.427 -0.370 9.351 1.00 0.75 C ATOM 967 O TYR A 62 -4.218 -0.812 10.184 1.00 0.87 O ATOM 968 CB TYR A 62 -2.553 1.938 9.752 1.00 1.16 C ATOM 969 CG TYR A 62 -3.474 2.381 10.866 1.00 1.24 C ATOM 970 CD1 TYR A 62 -3.252 1.977 12.176 1.00 1.81 C ATOM 971 CD2 TYR A 62 -4.566 3.200 10.608 1.00 1.55 C ATOM 972 CE1 TYR A 62 -4.091 2.376 13.198 1.00 2.35 C ATOM 973 CE2 TYR A 62 -5.410 3.605 11.625 1.00 2.07 C ATOM 974 CZ TYR A 62 -5.169 3.190 12.918 1.00 2.38 C ATOM 975 OH TYR A 62 -6.006 3.589 13.933 1.00 3.08 O ATOM 0 H TYR A 62 -1.130 0.397 7.994 1.00 0.68 H new ATOM 0 HA TYR A 62 -1.979 0.143 10.816 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -1.629 2.514 9.805 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -3.018 2.168 8.794 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -2.409 1.340 12.399 1.00 1.81 H new ATOM 0 HD2 TYR A 62 -4.759 3.526 9.596 1.00 1.55 H new ATOM 0 HE1 TYR A 62 -3.904 2.052 14.211 1.00 2.35 H new ATOM 0 HE2 TYR A 62 -6.254 4.243 11.408 1.00 2.07 H new ATOM 0 HH TYR A 62 -6.714 4.160 13.568 1.00 3.08 H new ATOM 985 N TYR A 63 -3.588 -0.551 8.045 1.00 0.64 N ATOM 986 CA TYR A 63 -4.730 -1.297 7.521 1.00 0.62 C ATOM 987 C TYR A 63 -4.374 -2.752 7.233 1.00 0.63 C ATOM 988 O TYR A 63 -3.332 -3.046 6.648 1.00 0.73 O ATOM 989 CB TYR A 63 -5.257 -0.626 6.252 1.00 0.79 C ATOM 990 CG TYR A 63 -5.545 0.847 6.427 1.00 1.02 C ATOM 991 CD1 TYR A 63 -4.510 1.769 6.511 1.00 1.28 C ATOM 992 CD2 TYR A 63 -6.850 1.316 6.511 1.00 1.16 C ATOM 993 CE1 TYR A 63 -4.766 3.117 6.673 1.00 1.56 C ATOM 994 CE2 TYR A 63 -7.114 2.663 6.673 1.00 1.45 C ATOM 995 CZ TYR A 63 -6.069 3.559 6.753 1.00 1.60 C ATOM 996 OH TYR A 63 -6.329 4.900 6.915 1.00 1.93 O ATOM 0 H TYR A 63 -2.949 -0.196 7.334 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.507 -1.292 8.286 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.527 -0.753 5.453 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -6.169 -1.132 5.934 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -3.488 1.427 6.449 1.00 1.28 H new ATOM 0 HD2 TYR A 63 -7.671 0.617 6.449 1.00 1.16 H new ATOM 0 HE1 TYR A 63 -3.949 3.821 6.737 1.00 1.56 H new ATOM 0 HE2 TYR A 63 -8.134 3.012 6.737 1.00 1.45 H new ATOM 0 HH TYR A 63 -7.298 5.043 6.952 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.257 -3.659 7.645 1.00 0.63 N ATOM 1007 CA ASN A 64 -5.049 -5.087 7.431 1.00 0.67 C ATOM 1008 C ASN A 64 -6.075 -5.654 6.457 1.00 0.49 C ATOM 1009 O ASN A 64 -6.872 -4.922 5.870 1.00 0.47 O ATOM 1010 CB ASN A 64 -5.134 -5.850 8.753 1.00 0.93 C ATOM 1011 CG ASN A 64 -4.088 -5.401 9.754 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -4.068 -4.243 10.171 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -3.212 -6.319 10.148 1.00 1.03 N ATOM 0 H ASN A 64 -6.124 -3.429 8.130 1.00 0.63 H new ATOM 0 HA ASN A 64 -4.053 -5.210 7.005 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -6.126 -5.713 9.184 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -5.014 -6.916 8.561 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -2.486 -6.075 10.822 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -3.265 -7.267 9.776 1.00 1.03 H new ATOM 1020 N LEU A 65 -6.037 -6.970 6.295 1.00 0.54 N ATOM 1021 CA LEU A 65 -6.939 -7.678 5.402 1.00 0.54 C ATOM 1022 C LEU A 65 -8.406 -7.388 5.715 1.00 0.66 C ATOM 1023 O LEU A 65 -9.276 -7.575 4.865 1.00 0.77 O ATOM 1024 CB LEU A 65 -6.681 -9.178 5.524 1.00 0.66 C ATOM 1025 CG LEU A 65 -5.586 -9.724 4.611 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -4.793 -10.809 5.323 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -6.186 -10.260 3.320 1.00 1.04 C ATOM 0 H LEU A 65 -5.377 -7.577 6.782 1.00 0.54 H new ATOM 0 HA LEU A 65 -6.746 -7.333 4.386 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -6.416 -9.402 6.557 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -7.609 -9.709 5.310 1.00 0.66 H new ATOM 0 HG LEU A 65 -4.907 -8.909 4.361 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -4.016 -11.188 4.658 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -4.333 -10.394 6.220 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -5.461 -11.624 5.602 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -5.391 -10.645 2.682 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -6.887 -11.062 3.550 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -6.711 -9.457 2.802 1.00 1.04 H new ATOM 1039 N ASP A 66 -8.681 -6.961 6.943 1.00 0.75 N ATOM 1040 CA ASP A 66 -10.053 -6.683 7.360 1.00 0.92 C ATOM 1041 C ASP A 66 -10.371 -5.189 7.361 1.00 0.87 C ATOM 1042 O ASP A 66 -11.531 -4.798 7.235 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.303 -7.262 8.754 1.00 1.12 C ATOM 1044 CG ASP A 66 -10.179 -8.772 8.784 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -9.579 -9.338 7.846 1.00 2.33 O ATOM 1046 OD2 ASP A 66 -10.681 -9.390 9.747 1.00 2.30 O ATOM 0 H ASP A 66 -7.978 -6.800 7.664 1.00 0.75 H new ATOM 0 HA ASP A 66 -10.712 -7.158 6.633 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -9.592 -6.828 9.457 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -11.300 -6.975 9.090 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.350 -4.356 7.523 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.552 -2.911 7.560 1.00 0.81 C ATOM 1053 C ASP A 67 -9.726 -2.315 6.166 1.00 0.69 C ATOM 1054 O ASP A 67 -9.217 -2.845 5.170 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.387 -2.224 8.272 1.00 0.92 C ATOM 1056 CG ASP A 67 -7.991 -2.931 9.552 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -8.626 -2.669 10.596 1.00 1.85 O ATOM 1058 OD2 ASP A 67 -7.047 -3.747 9.513 1.00 1.54 O ATOM 0 H ASP A 67 -8.380 -4.652 7.630 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.474 -2.735 8.114 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -7.528 -2.185 7.602 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.661 -1.194 8.500 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.443 -1.192 6.123 1.00 0.83 N ATOM 1064 CA ILE A 68 -10.703 -0.469 4.882 1.00 0.78 C ATOM 1065 C ILE A 68 -9.854 0.782 4.814 1.00 0.99 C ATOM 1066 O ILE A 68 -9.725 1.513 5.795 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.179 -0.033 4.754 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -13.109 -1.004 5.485 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.567 0.085 3.287 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.150 -2.378 4.861 1.00 1.10 C ATOM 0 H ILE A 68 -10.859 -0.760 6.948 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.460 -1.157 4.072 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.287 0.945 5.224 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -12.786 -1.093 6.522 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -14.117 -0.589 5.499 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.610 0.393 3.210 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -11.933 0.827 2.801 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.437 -0.880 2.797 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -13.828 -3.015 5.429 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -13.501 -2.300 3.832 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -12.150 -2.812 4.871 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.298 1.040 3.646 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.490 2.221 3.456 1.00 1.34 C ATOM 1084 C ALA A 69 -9.315 3.303 2.774 1.00 1.19 C ATOM 1085 O ALA A 69 -10.230 3.003 1.987 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.240 1.892 2.659 1.00 2.16 C ATOM 0 H ALA A 69 -9.392 0.449 2.820 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.168 2.595 4.428 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.645 2.795 2.527 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.653 1.146 3.194 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.524 1.498 1.683 1.00 2.16 H new ATOM 1092 N TYR A 70 -8.994 4.553 3.097 1.00 1.18 N ATOM 1093 CA TYR A 70 -9.697 5.704 2.548 1.00 1.38 C ATOM 1094 C TYR A 70 -8.771 6.527 1.658 1.00 1.17 C ATOM 1095 O TYR A 70 -7.565 6.593 1.893 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.240 6.585 3.680 1.00 1.97 C ATOM 1097 CG TYR A 70 -10.911 5.815 4.800 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -10.188 4.946 5.611 1.00 3.17 C ATOM 1099 CD2 TYR A 70 -12.270 5.961 5.049 1.00 3.47 C ATOM 1100 CE1 TYR A 70 -10.800 4.246 6.633 1.00 4.07 C ATOM 1101 CE2 TYR A 70 -12.889 5.265 6.071 1.00 4.42 C ATOM 1102 CZ TYR A 70 -12.150 4.408 6.859 1.00 4.67 C ATOM 1103 OH TYR A 70 -12.763 3.713 7.876 1.00 5.65 O ATOM 0 H TYR A 70 -8.243 4.794 3.744 1.00 1.18 H new ATOM 0 HA TYR A 70 -10.529 5.338 1.947 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -9.419 7.169 4.097 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -10.955 7.294 3.262 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -9.130 4.816 5.439 1.00 3.17 H new ATOM 0 HD2 TYR A 70 -12.853 6.630 4.434 1.00 3.47 H new ATOM 0 HE1 TYR A 70 -10.223 3.575 7.252 1.00 4.07 H new ATOM 0 HE2 TYR A 70 -13.946 5.392 6.251 1.00 4.42 H new ATOM 0 HH TYR A 70 -13.716 3.942 7.901 1.00 5.65 H new ATOM 1113 N VAL A 71 -9.343 7.154 0.638 1.00 1.69 N ATOM 1114 CA VAL A 71 -8.567 7.975 -0.284 1.00 2.02 C ATOM 1115 C VAL A 71 -8.350 9.375 0.283 1.00 2.00 C ATOM 1116 O VAL A 71 -9.257 9.962 0.871 1.00 2.35 O ATOM 1117 CB VAL A 71 -9.254 8.102 -1.662 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -8.228 8.408 -2.741 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -10.033 6.841 -2.006 1.00 3.61 C ATOM 0 H VAL A 71 -10.340 7.110 0.428 1.00 1.69 H new ATOM 0 HA VAL A 71 -7.608 7.473 -0.413 1.00 2.02 H new ATOM 0 HB VAL A 71 -9.962 8.929 -1.611 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -8.729 8.494 -3.705 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -7.724 9.346 -2.509 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -7.494 7.603 -2.784 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -10.506 6.960 -2.981 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -9.353 5.989 -2.034 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -10.799 6.669 -1.250 1.00 3.61 H new ATOM 1129 N GLY A 72 -7.145 9.908 0.097 1.00 1.84 N ATOM 1130 CA GLY A 72 -6.842 11.239 0.592 1.00 1.87 C ATOM 1131 C GLY A 72 -5.677 11.263 1.563 1.00 1.57 C ATOM 1132 O GLY A 72 -5.081 12.314 1.795 1.00 1.63 O ATOM 0 H GLY A 72 -6.376 9.444 -0.386 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -6.617 11.891 -0.252 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -7.725 11.647 1.084 1.00 1.87 H new ATOM 1136 N LYS A 73 -5.348 10.109 2.132 1.00 1.31 N ATOM 1137 CA LYS A 73 -4.245 10.019 3.082 1.00 1.09 C ATOM 1138 C LYS A 73 -3.522 8.680 2.954 1.00 0.83 C ATOM 1139 O LYS A 73 -4.157 7.625 2.948 1.00 0.79 O ATOM 1140 CB LYS A 73 -4.761 10.196 4.511 1.00 1.27 C ATOM 1141 CG LYS A 73 -3.697 9.973 5.573 1.00 1.59 C ATOM 1142 CD LYS A 73 -3.909 10.880 6.774 1.00 1.98 C ATOM 1143 CE LYS A 73 -2.856 11.974 6.838 1.00 2.32 C ATOM 1144 NZ LYS A 73 -3.402 13.295 6.418 1.00 2.96 N ATOM 0 H LYS A 73 -5.827 9.226 1.953 1.00 1.31 H new ATOM 0 HA LYS A 73 -3.538 10.817 2.855 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -5.166 11.202 4.620 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -5.583 9.501 4.680 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -3.715 8.932 5.895 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -2.711 10.158 5.146 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -4.900 11.330 6.721 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -3.876 10.288 7.689 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -2.470 12.047 7.855 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -2.016 11.708 6.196 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -2.653 14.014 6.476 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -3.748 13.232 5.439 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -4.187 13.562 7.046 1.00 2.96 H new ATOM 1158 N PRO A 74 -2.180 8.697 2.855 1.00 0.75 N ATOM 1159 CA PRO A 74 -1.386 7.470 2.733 1.00 0.64 C ATOM 1160 C PRO A 74 -1.660 6.503 3.878 1.00 0.53 C ATOM 1161 O PRO A 74 -2.246 6.883 4.891 1.00 0.75 O ATOM 1162 CB PRO A 74 0.061 7.964 2.781 1.00 0.77 C ATOM 1163 CG PRO A 74 -0.006 9.397 2.378 1.00 0.87 C ATOM 1164 CD PRO A 74 -1.335 9.904 2.861 1.00 0.91 C ATOM 0 HA PRO A 74 -1.622 6.918 1.823 1.00 0.64 H new ATOM 0 HB2 PRO A 74 0.482 7.855 3.780 1.00 0.77 H new ATOM 0 HB3 PRO A 74 0.696 7.393 2.103 1.00 0.77 H new ATOM 0 HG2 PRO A 74 0.812 9.965 2.821 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.082 9.502 1.297 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -1.262 10.339 3.858 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -1.733 10.677 2.204 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.246 5.250 3.713 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.473 4.246 4.745 1.00 0.49 C ATOM 1174 C LEU A 75 -0.175 3.587 5.205 1.00 0.46 C ATOM 1175 O LEU A 75 -0.019 3.287 6.388 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.453 3.184 4.246 1.00 0.64 C ATOM 1177 CG LEU A 75 -1.944 2.313 3.096 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -1.656 0.900 3.582 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -2.955 2.292 1.958 1.00 1.32 C ATOM 0 H LEU A 75 -0.758 4.909 2.885 1.00 0.40 H new ATOM 0 HA LEU A 75 -1.901 4.760 5.606 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -2.717 2.536 5.082 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -3.369 3.680 3.926 1.00 0.64 H new ATOM 0 HG LEU A 75 -1.014 2.742 2.723 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -1.295 0.296 2.750 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -0.897 0.932 4.364 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -2.570 0.459 3.981 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -2.578 1.668 1.148 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -3.900 1.886 2.319 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -3.112 3.307 1.592 1.00 1.32 H new ATOM 1191 N VAL A 76 0.756 3.351 4.283 1.00 0.32 N ATOM 1192 CA VAL A 76 2.020 2.714 4.657 1.00 0.29 C ATOM 1193 C VAL A 76 3.221 3.420 4.047 1.00 0.27 C ATOM 1194 O VAL A 76 3.160 3.898 2.919 1.00 0.35 O ATOM 1195 CB VAL A 76 2.058 1.232 4.242 1.00 0.36 C ATOM 1196 CG1 VAL A 76 1.952 1.093 2.733 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.331 0.571 4.749 1.00 0.47 C ATOM 0 H VAL A 76 0.665 3.584 3.294 1.00 0.32 H new ATOM 0 HA VAL A 76 2.077 2.788 5.743 1.00 0.29 H new ATOM 0 HB VAL A 76 1.202 0.729 4.692 1.00 0.36 H new ATOM 0 HG11 VAL A 76 1.981 0.038 2.462 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.013 1.530 2.392 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.786 1.612 2.260 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.342 -0.476 4.447 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.198 1.080 4.327 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.366 0.636 5.837 1.00 0.47 H new ATOM 1207 N ASP A 77 4.320 3.465 4.804 1.00 0.30 N ATOM 1208 CA ASP A 77 5.552 4.098 4.340 1.00 0.41 C ATOM 1209 C ASP A 77 6.613 3.042 4.045 1.00 0.38 C ATOM 1210 O ASP A 77 6.828 2.124 4.839 1.00 0.41 O ATOM 1211 CB ASP A 77 6.092 5.088 5.377 1.00 0.58 C ATOM 1212 CG ASP A 77 5.013 5.968 5.984 1.00 0.78 C ATOM 1213 OD1 ASP A 77 3.907 5.458 6.259 1.00 0.87 O ATOM 1214 OD2 ASP A 77 5.278 7.173 6.187 1.00 1.10 O ATOM 0 H ASP A 77 4.379 3.069 5.742 1.00 0.30 H new ATOM 0 HA ASP A 77 5.319 4.645 3.426 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.590 4.535 6.173 1.00 0.58 H new ATOM 0 HB3 ASP A 77 6.846 5.720 4.908 1.00 0.58 H new ATOM 1219 N ILE A 78 7.262 3.170 2.893 1.00 0.44 N ATOM 1220 CA ILE A 78 8.288 2.216 2.483 1.00 0.42 C ATOM 1221 C ILE A 78 9.471 2.920 1.829 1.00 0.41 C ATOM 1222 O ILE A 78 9.308 3.969 1.209 1.00 0.51 O ATOM 1223 CB ILE A 78 7.725 1.179 1.491 1.00 0.42 C ATOM 1224 CG1 ILE A 78 6.276 0.830 1.845 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.592 -0.071 1.479 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.258 1.691 1.131 1.00 0.86 C ATOM 0 H ILE A 78 7.097 3.924 2.226 1.00 0.44 H new ATOM 0 HA ILE A 78 8.622 1.710 3.389 1.00 0.42 H new ATOM 0 HB ILE A 78 7.737 1.614 0.491 1.00 0.42 H new ATOM 0 HG12 ILE A 78 6.092 -0.216 1.600 1.00 0.53 H new ATOM 0 HG13 ILE A 78 6.138 0.934 2.921 1.00 0.53 H new ATOM 0 HG21 ILE A 78 8.180 -0.793 0.773 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.606 0.192 1.178 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.612 -0.510 2.477 1.00 0.48 H new ATOM 0 HD11 ILE A 78 4.254 1.389 1.428 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.416 2.737 1.396 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.370 1.569 0.054 1.00 0.86 H new ATOM 1238 N GLU A 79 10.661 2.338 1.956 1.00 0.29 N ATOM 1239 CA GLU A 79 11.850 2.929 1.354 1.00 0.29 C ATOM 1240 C GLU A 79 12.170 2.241 0.032 1.00 0.47 C ATOM 1241 O GLU A 79 12.539 1.071 0.003 1.00 0.79 O ATOM 1242 CB GLU A 79 13.047 2.798 2.299 1.00 0.62 C ATOM 1243 CG GLU A 79 13.047 3.811 3.430 1.00 0.92 C ATOM 1244 CD GLU A 79 14.217 3.629 4.377 1.00 0.96 C ATOM 1245 OE1 GLU A 79 14.381 2.511 4.910 1.00 1.39 O ATOM 1246 OE2 GLU A 79 14.968 4.605 4.586 1.00 1.09 O ATOM 0 H GLU A 79 10.826 1.469 2.464 1.00 0.29 H new ATOM 0 HA GLU A 79 11.652 3.985 1.171 1.00 0.29 H new ATOM 0 HB2 GLU A 79 13.056 1.794 2.723 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.966 2.909 1.724 1.00 0.62 H new ATOM 0 HG2 GLU A 79 13.076 4.817 3.011 1.00 0.92 H new ATOM 0 HG3 GLU A 79 12.115 3.725 3.989 1.00 0.92 H new ATOM 1253 N THR A 80 12.033 2.983 -1.057 1.00 0.64 N ATOM 1254 CA THR A 80 12.312 2.459 -2.388 1.00 1.05 C ATOM 1255 C THR A 80 12.953 3.532 -3.258 1.00 1.00 C ATOM 1256 O THR A 80 12.796 4.725 -2.999 1.00 1.22 O ATOM 1257 CB THR A 80 11.036 1.934 -3.073 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.962 2.857 -2.876 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.644 0.568 -2.522 1.00 1.18 C ATOM 0 H THR A 80 11.728 3.956 -1.045 1.00 0.64 H new ATOM 0 HA THR A 80 13.003 1.624 -2.270 1.00 1.05 H new ATOM 0 HB THR A 80 11.239 1.832 -4.139 1.00 1.51 H new ATOM 0 HG1 THR A 80 10.238 3.749 -3.174 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.740 0.220 -3.022 1.00 1.18 H new ATOM 0 HG22 THR A 80 11.453 -0.141 -2.698 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.458 0.647 -1.451 1.00 1.18 H new ATOM 1267 N GLU A 81 13.676 3.111 -4.289 1.00 1.27 N ATOM 1268 CA GLU A 81 14.332 4.056 -5.183 1.00 1.30 C ATOM 1269 C GLU A 81 13.313 5.019 -5.784 1.00 1.99 C ATOM 1270 O GLU A 81 12.149 4.666 -5.976 1.00 2.56 O ATOM 1271 CB GLU A 81 15.069 3.310 -6.297 1.00 1.53 C ATOM 1272 CG GLU A 81 16.565 3.574 -6.319 1.00 1.62 C ATOM 1273 CD GLU A 81 17.066 3.981 -7.691 1.00 2.40 C ATOM 1274 OE1 GLU A 81 16.318 4.671 -8.415 1.00 2.85 O ATOM 1275 OE2 GLU A 81 18.207 3.610 -8.041 1.00 3.13 O ATOM 0 H GLU A 81 13.822 2.130 -4.525 1.00 1.27 H new ATOM 0 HA GLU A 81 15.056 4.630 -4.605 1.00 1.30 H new ATOM 0 HB2 GLU A 81 14.899 2.240 -6.180 1.00 1.53 H new ATOM 0 HB3 GLU A 81 14.644 3.597 -7.259 1.00 1.53 H new ATOM 0 HG2 GLU A 81 16.802 4.360 -5.602 1.00 1.62 H new ATOM 0 HG3 GLU A 81 17.093 2.677 -5.995 1.00 1.62 H new ATOM 1282 N ALA A 82 13.759 6.243 -6.068 1.00 2.01 N ATOM 1283 CA ALA A 82 12.892 7.278 -6.638 1.00 2.67 C ATOM 1284 C ALA A 82 11.925 6.711 -7.676 1.00 3.02 C ATOM 1285 O ALA A 82 12.337 6.261 -8.746 1.00 3.10 O ATOM 1286 CB ALA A 82 13.736 8.385 -7.253 1.00 2.85 C ATOM 0 H ALA A 82 14.721 6.544 -5.912 1.00 2.01 H new ATOM 0 HA ALA A 82 12.292 7.687 -5.826 1.00 2.67 H new ATOM 0 HB1 ALA A 82 13.083 9.149 -7.674 1.00 2.85 H new ATOM 0 HB2 ALA A 82 14.368 8.831 -6.484 1.00 2.85 H new ATOM 0 HB3 ALA A 82 14.363 7.969 -8.042 1.00 2.85 H new ATOM 1292 N LEU A 83 10.636 6.739 -7.348 1.00 3.31 N ATOM 1293 CA LEU A 83 9.605 6.232 -8.246 1.00 3.73 C ATOM 1294 C LEU A 83 8.631 7.341 -8.635 1.00 4.31 C ATOM 1295 O LEU A 83 8.330 8.226 -7.834 1.00 4.31 O ATOM 1296 CB LEU A 83 8.848 5.075 -7.586 1.00 3.56 C ATOM 1297 CG LEU A 83 8.954 3.732 -8.312 1.00 3.51 C ATOM 1298 CD1 LEU A 83 10.411 3.368 -8.551 1.00 3.49 C ATOM 1299 CD2 LEU A 83 8.255 2.641 -7.515 1.00 3.60 C ATOM 0 H LEU A 83 10.281 7.108 -6.466 1.00 3.31 H new ATOM 0 HA LEU A 83 10.091 5.867 -9.151 1.00 3.73 H new ATOM 0 HB2 LEU A 83 9.220 4.951 -6.569 1.00 3.56 H new ATOM 0 HB3 LEU A 83 7.795 5.347 -7.509 1.00 3.56 H new ATOM 0 HG LEU A 83 8.460 3.823 -9.279 1.00 3.51 H new ATOM 0 HD11 LEU A 83 10.467 2.410 -9.068 1.00 3.49 H new ATOM 0 HD12 LEU A 83 10.883 4.138 -9.161 1.00 3.49 H new ATOM 0 HD13 LEU A 83 10.929 3.295 -7.595 1.00 3.49 H new ATOM 0 HD21 LEU A 83 8.340 1.692 -8.045 1.00 3.60 H new ATOM 0 HD22 LEU A 83 8.722 2.551 -6.534 1.00 3.60 H new ATOM 0 HD23 LEU A 83 7.202 2.896 -7.394 1.00 3.60 H new ATOM 1311 N LYS A 84 8.146 7.288 -9.871 1.00 4.85 N ATOM 1312 CA LYS A 84 7.209 8.288 -10.373 1.00 5.44 C ATOM 1313 C LYS A 84 5.789 8.000 -9.893 1.00 5.34 C ATOM 1314 O LYS A 84 4.954 8.902 -9.815 1.00 5.61 O ATOM 1315 CB LYS A 84 7.242 8.321 -11.903 1.00 6.29 C ATOM 1316 CG LYS A 84 7.591 9.684 -12.477 1.00 6.80 C ATOM 1317 CD LYS A 84 6.640 10.073 -13.598 1.00 7.13 C ATOM 1318 CE LYS A 84 6.736 9.112 -14.772 1.00 7.72 C ATOM 1319 NZ LYS A 84 5.504 9.130 -15.607 1.00 8.33 N ATOM 0 H LYS A 84 8.387 6.562 -10.545 1.00 4.85 H new ATOM 0 HA LYS A 84 7.513 9.260 -9.984 1.00 5.44 H new ATOM 0 HB2 LYS A 84 7.969 7.590 -12.258 1.00 6.29 H new ATOM 0 HB3 LYS A 84 6.269 8.014 -12.285 1.00 6.29 H new ATOM 0 HG2 LYS A 84 7.551 10.434 -11.687 1.00 6.80 H new ATOM 0 HG3 LYS A 84 8.614 9.671 -12.853 1.00 6.80 H new ATOM 0 HD2 LYS A 84 5.618 10.086 -13.220 1.00 7.13 H new ATOM 0 HD3 LYS A 84 6.868 11.084 -13.935 1.00 7.13 H new ATOM 0 HE2 LYS A 84 7.596 9.376 -15.388 1.00 7.72 H new ATOM 0 HE3 LYS A 84 6.908 8.102 -14.401 1.00 7.72 H new ATOM 0 HZ1 LYS A 84 5.610 8.461 -16.397 1.00 8.33 H new ATOM 0 HZ2 LYS A 84 4.687 8.853 -15.026 1.00 8.33 H new ATOM 0 HZ3 LYS A 84 5.353 10.088 -15.983 1.00 8.33 H new ATOM 1333 N ASP A 85 5.520 6.737 -9.579 1.00 5.08 N ATOM 1334 CA ASP A 85 4.200 6.325 -9.113 1.00 5.19 C ATOM 1335 C ASP A 85 3.711 7.216 -7.974 1.00 4.88 C ATOM 1336 O ASP A 85 2.537 7.582 -7.921 1.00 5.42 O ATOM 1337 CB ASP A 85 4.235 4.866 -8.656 1.00 4.91 C ATOM 1338 CG ASP A 85 4.954 3.970 -9.645 1.00 5.75 C ATOM 1339 OD1 ASP A 85 6.154 4.209 -9.899 1.00 6.12 O ATOM 1340 OD2 ASP A 85 4.317 3.031 -10.167 1.00 6.23 O ATOM 0 H ASP A 85 6.200 5.979 -9.639 1.00 5.08 H new ATOM 0 HA ASP A 85 3.504 6.426 -9.945 1.00 5.19 H new ATOM 0 HB2 ASP A 85 4.729 4.803 -7.686 1.00 4.91 H new ATOM 0 HB3 ASP A 85 3.215 4.506 -8.518 1.00 4.91 H new ATOM 1345 N LEU A 86 4.617 7.561 -7.064 1.00 4.16 N ATOM 1346 CA LEU A 86 4.272 8.407 -5.926 1.00 3.99 C ATOM 1347 C LEU A 86 4.859 9.806 -6.090 1.00 4.35 C ATOM 1348 O LEU A 86 4.359 10.771 -5.512 1.00 4.39 O ATOM 1349 CB LEU A 86 4.777 7.773 -4.626 1.00 3.28 C ATOM 1350 CG LEU A 86 3.826 7.876 -3.429 1.00 2.93 C ATOM 1351 CD1 LEU A 86 3.840 9.283 -2.852 1.00 3.28 C ATOM 1352 CD2 LEU A 86 2.412 7.477 -3.825 1.00 2.54 C ATOM 0 H LEU A 86 5.594 7.269 -7.092 1.00 4.16 H new ATOM 0 HA LEU A 86 3.186 8.495 -5.882 1.00 3.99 H new ATOM 0 HB2 LEU A 86 4.985 6.719 -4.813 1.00 3.28 H new ATOM 0 HB3 LEU A 86 5.724 8.242 -4.357 1.00 3.28 H new ATOM 0 HG LEU A 86 4.173 7.185 -2.661 1.00 2.93 H new ATOM 0 HD11 LEU A 86 3.158 9.335 -2.003 1.00 3.28 H new ATOM 0 HD12 LEU A 86 4.849 9.531 -2.523 1.00 3.28 H new ATOM 0 HD13 LEU A 86 3.523 9.993 -3.616 1.00 3.28 H new ATOM 0 HD21 LEU A 86 1.755 7.558 -2.959 1.00 2.54 H new ATOM 0 HD22 LEU A 86 2.055 8.138 -4.614 1.00 2.54 H new ATOM 0 HD23 LEU A 86 2.412 6.448 -4.186 1.00 2.54 H new ATOM 1364 N GLU A 87 5.921 9.912 -6.884 1.00 4.90 N ATOM 1365 CA GLU A 87 6.571 11.195 -7.124 1.00 5.65 C ATOM 1366 C GLU A 87 7.127 11.266 -8.544 1.00 5.80 C ATOM 1367 O GLU A 87 6.317 11.321 -9.493 1.00 5.45 O ATOM 1368 CB GLU A 87 7.695 11.421 -6.111 1.00 6.27 C ATOM 1369 CG GLU A 87 7.229 12.075 -4.820 1.00 6.31 C ATOM 1370 CD GLU A 87 7.871 11.463 -3.590 1.00 7.17 C ATOM 1371 OE1 GLU A 87 9.073 11.713 -3.361 1.00 7.41 O ATOM 1372 OE2 GLU A 87 7.171 10.736 -2.855 1.00 7.79 O ATOM 0 H GLU A 87 6.349 9.125 -7.371 1.00 4.90 H new ATOM 0 HA GLU A 87 5.824 11.980 -7.006 1.00 5.65 H new ATOM 0 HB2 GLU A 87 8.159 10.463 -5.876 1.00 6.27 H new ATOM 0 HB3 GLU A 87 8.464 12.044 -6.567 1.00 6.27 H new ATOM 0 HG2 GLU A 87 7.459 13.140 -4.853 1.00 6.31 H new ATOM 0 HG3 GLU A 87 6.145 11.985 -4.742 1.00 6.31 H new TER 1379 GLU A 87