USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 752 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 44 THR OG1 : rot 180:sc= -0.0271 USER MOD Set 1.2: A 45 THR OG1 : rot 94:sc= 0.00772 USER MOD Set 2.1: A 14 ASN : amide:sc= -1.49 K(o=-8.8,f=-16!) USER MOD Set 2.2: A 16 HIS : no HE2:sc= -7.35! C(o=-8.8!,f=-8.3!) USER MOD Set 2.3: A 38 TYR OH : rot 85:sc= 0.0707 USER MOD Set 3.1: A 11 SER OG : rot -72:sc= -0.299 USER MOD Set 3.2: A 13 HIS : no HE2:sc= -2.85! C(o=-3.1!,f=-15!) USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.155) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.448 (180deg=-0.547) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 122:sc= 0.799! USER MOD Single : A 27 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 30:sc= -0.166 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot -150:sc= -0.688 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -127:sc= 0.182 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 69 THR OG1 : rot -41:sc= 0.109! USER MOD Single : A 76 GLN : amide:sc= -0.674 X(o=-0.67,f=-0.24) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.455 9.855 -8.831 1.00 0.00 N ATOM 2 CA MET A 1 -8.052 10.261 -8.530 1.00 0.00 C ATOM 3 C MET A 1 -7.411 9.293 -7.522 1.00 0.00 C ATOM 4 O MET A 1 -6.222 9.340 -7.278 1.00 0.00 O ATOM 5 CB MET A 1 -8.163 11.674 -7.945 1.00 0.00 C ATOM 6 CG MET A 1 -8.839 11.624 -6.569 1.00 0.00 C ATOM 7 SD MET A 1 -10.247 12.764 -6.542 1.00 0.00 S ATOM 8 CE MET A 1 -9.294 14.301 -6.606 1.00 0.00 C ATOM 0 H1 MET A 1 -9.892 10.558 -9.460 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.455 8.925 -9.297 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.997 9.798 -7.946 1.00 0.00 H new ATOM 0 HA MET A 1 -7.419 10.240 -9.417 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.171 12.118 -7.856 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.738 12.310 -8.618 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.175 10.610 -6.354 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.124 11.894 -5.791 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.948 15.144 -6.386 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.491 14.262 -5.869 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.867 14.423 -7.601 1.00 0.00 H new ATOM 20 N VAL A 2 -8.186 8.417 -6.937 1.00 0.00 N ATOM 21 CA VAL A 2 -7.610 7.456 -5.950 1.00 0.00 C ATOM 22 C VAL A 2 -6.504 6.621 -6.603 1.00 0.00 C ATOM 23 O VAL A 2 -6.744 5.864 -7.522 1.00 0.00 O ATOM 24 CB VAL A 2 -8.773 6.557 -5.524 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.767 7.368 -4.693 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.480 5.998 -6.761 1.00 0.00 C ATOM 0 H VAL A 2 -9.189 8.326 -7.099 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.164 7.970 -5.099 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.386 5.730 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.595 6.728 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.267 7.759 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.149 8.197 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.307 5.359 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.864 6.821 -7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.773 5.415 -7.352 1.00 0.00 H new ATOM 36 N LYS A 3 -5.294 6.755 -6.133 1.00 0.00 N ATOM 37 CA LYS A 3 -4.173 5.970 -6.725 1.00 0.00 C ATOM 38 C LYS A 3 -3.232 5.481 -5.621 1.00 0.00 C ATOM 39 O LYS A 3 -2.778 6.251 -4.798 1.00 0.00 O ATOM 40 CB LYS A 3 -3.445 6.955 -7.639 1.00 0.00 C ATOM 41 CG LYS A 3 -4.261 7.170 -8.914 1.00 0.00 C ATOM 42 CD LYS A 3 -3.504 8.116 -9.849 1.00 0.00 C ATOM 43 CE LYS A 3 -3.080 7.355 -11.110 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.105 8.246 -11.809 1.00 0.00 N ATOM 0 H LYS A 3 -5.033 7.374 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.524 5.089 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.299 7.905 -7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.455 6.572 -7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.439 6.216 -9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.237 7.588 -8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.136 8.963 -10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.627 8.520 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.624 6.398 -10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.939 7.140 -11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.776 7.784 -12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.567 9.147 -12.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.293 8.428 -11.186 1.00 0.00 H new ATOM 58 N ILE A 4 -2.919 4.212 -5.601 1.00 0.00 N ATOM 59 CA ILE A 4 -1.997 3.705 -4.555 1.00 0.00 C ATOM 60 C ILE A 4 -0.589 3.565 -5.143 1.00 0.00 C ATOM 61 O ILE A 4 -0.403 3.030 -6.217 1.00 0.00 O ATOM 62 CB ILE A 4 -2.575 2.362 -4.102 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.853 2.618 -3.302 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.561 1.626 -3.221 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.557 1.290 -3.032 1.00 0.00 C ATOM 0 H ILE A 4 -3.261 3.513 -6.260 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.911 4.379 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.797 1.748 -4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.613 3.113 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.513 3.287 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.980 0.671 -2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.647 1.450 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.333 2.232 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.468 1.471 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.810 0.813 -3.979 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.896 0.637 -2.462 1.00 0.00 H new ATOM 77 N ARG A 5 0.405 4.064 -4.458 1.00 0.00 N ATOM 78 CA ARG A 5 1.791 3.983 -4.991 1.00 0.00 C ATOM 79 C ARG A 5 2.799 3.921 -3.844 1.00 0.00 C ATOM 80 O ARG A 5 2.443 3.710 -2.708 1.00 0.00 O ATOM 81 CB ARG A 5 1.975 5.270 -5.795 1.00 0.00 C ATOM 82 CG ARG A 5 1.759 6.475 -4.876 1.00 0.00 C ATOM 83 CD ARG A 5 2.284 7.741 -5.554 1.00 0.00 C ATOM 84 NE ARG A 5 3.769 7.620 -5.498 1.00 0.00 N ATOM 85 CZ ARG A 5 4.539 8.502 -6.091 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.025 9.515 -6.741 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.836 8.368 -6.030 1.00 0.00 N ATOM 0 H ARG A 5 0.315 4.524 -3.552 1.00 0.00 H new ATOM 0 HA ARG A 5 1.949 3.092 -5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.975 5.302 -6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.268 5.299 -6.624 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.699 6.586 -4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.274 6.318 -3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.932 7.813 -6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.941 8.637 -5.037 1.00 0.00 H new ATOM 0 HE ARG A 5 4.192 6.842 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.012 9.627 -6.792 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.637 10.192 -7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.244 7.582 -5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.441 9.049 -6.488 1.00 0.00 H new ATOM 101 N LEU A 6 4.057 4.107 -4.138 1.00 0.00 N ATOM 102 CA LEU A 6 5.092 4.052 -3.065 1.00 0.00 C ATOM 103 C LEU A 6 5.293 5.439 -2.447 1.00 0.00 C ATOM 104 O LEU A 6 5.446 6.424 -3.141 1.00 0.00 O ATOM 105 CB LEU A 6 6.370 3.597 -3.771 1.00 0.00 C ATOM 106 CG LEU A 6 6.228 2.141 -4.223 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.338 2.068 -5.465 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.609 1.578 -4.565 1.00 0.00 C ATOM 0 H LEU A 6 4.414 4.295 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 6 4.807 3.380 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.567 4.236 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.222 3.696 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 6 5.778 1.559 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.240 1.030 -5.782 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.352 2.470 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.786 2.652 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.510 0.541 -4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.053 2.166 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.249 1.625 -3.684 1.00 0.00 H new ATOM 120 N ALA A 7 5.280 5.521 -1.145 1.00 0.00 N ATOM 121 CA ALA A 7 5.453 6.840 -0.472 1.00 0.00 C ATOM 122 C ALA A 7 6.863 6.992 0.090 1.00 0.00 C ATOM 123 O ALA A 7 7.197 6.414 1.097 1.00 0.00 O ATOM 124 CB ALA A 7 4.447 6.806 0.669 1.00 0.00 C ATOM 0 H ALA A 7 5.156 4.728 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 7 5.301 7.672 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.499 7.740 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.443 6.680 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.678 5.973 1.333 1.00 0.00 H new ATOM 130 N ARG A 8 7.690 7.772 -0.546 1.00 0.00 N ATOM 131 CA ARG A 8 9.076 7.952 -0.036 1.00 0.00 C ATOM 132 C ARG A 8 9.105 8.841 1.210 1.00 0.00 C ATOM 133 O ARG A 8 8.720 9.992 1.177 1.00 0.00 O ATOM 134 CB ARG A 8 9.840 8.609 -1.184 1.00 0.00 C ATOM 135 CG ARG A 8 11.321 8.713 -0.813 1.00 0.00 C ATOM 136 CD ARG A 8 11.740 10.184 -0.775 1.00 0.00 C ATOM 137 NE ARG A 8 12.937 10.263 -1.660 1.00 0.00 N ATOM 138 CZ ARG A 8 12.815 10.200 -2.965 1.00 0.00 C ATOM 139 NH1 ARG A 8 11.640 10.064 -3.527 1.00 0.00 N ATOM 140 NH2 ARG A 8 13.880 10.272 -3.714 1.00 0.00 N ATOM 0 H ARG A 8 7.467 8.292 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 8 9.517 7.001 0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.722 8.024 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.434 9.600 -1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.496 8.250 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.927 8.171 -1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.940 10.832 -1.133 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.977 10.501 0.240 1.00 0.00 H new ATOM 0 HE ARG A 8 13.863 10.367 -1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.802 10.005 -2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.563 10.017 -4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.799 10.376 -3.285 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.794 10.224 -4.729 1.00 0.00 H new ATOM 154 N PHE A 9 9.577 8.309 2.308 1.00 0.00 N ATOM 155 CA PHE A 9 9.652 9.117 3.567 1.00 0.00 C ATOM 156 C PHE A 9 11.109 9.458 3.877 1.00 0.00 C ATOM 157 O PHE A 9 11.504 10.607 3.897 1.00 0.00 O ATOM 158 CB PHE A 9 9.101 8.226 4.690 1.00 0.00 C ATOM 159 CG PHE A 9 7.887 7.473 4.224 1.00 0.00 C ATOM 160 CD1 PHE A 9 6.662 8.130 4.083 1.00 0.00 C ATOM 161 CD2 PHE A 9 7.991 6.111 3.944 1.00 0.00 C ATOM 162 CE1 PHE A 9 5.542 7.418 3.658 1.00 0.00 C ATOM 163 CE2 PHE A 9 6.874 5.400 3.523 1.00 0.00 C ATOM 164 CZ PHE A 9 5.652 6.054 3.379 1.00 0.00 C ATOM 0 H PHE A 9 9.914 7.350 2.389 1.00 0.00 H new ATOM 0 HA PHE A 9 9.088 10.045 3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 9 9.869 7.523 5.013 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.845 8.839 5.555 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.583 9.185 4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.941 5.608 4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.592 7.919 3.545 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.953 4.344 3.308 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.784 5.502 3.049 1.00 0.00 H new ATOM 174 N GLY A 10 11.907 8.455 4.126 1.00 0.00 N ATOM 175 CA GLY A 10 13.338 8.693 4.448 1.00 0.00 C ATOM 176 C GLY A 10 14.002 9.464 3.306 1.00 0.00 C ATOM 177 O GLY A 10 14.293 8.916 2.261 1.00 0.00 O ATOM 0 H GLY A 10 11.624 7.475 4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.423 9.256 5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.849 7.743 4.603 1.00 0.00 H new ATOM 181 N SER A 11 14.240 10.732 3.494 1.00 0.00 N ATOM 182 CA SER A 11 14.884 11.538 2.418 1.00 0.00 C ATOM 183 C SER A 11 16.324 11.073 2.197 1.00 0.00 C ATOM 184 O SER A 11 16.721 10.729 1.101 1.00 0.00 O ATOM 185 CB SER A 11 14.867 12.977 2.940 1.00 0.00 C ATOM 186 OG SER A 11 15.855 13.125 3.950 1.00 0.00 O ATOM 0 H SER A 11 14.017 11.246 4.346 1.00 0.00 H new ATOM 0 HA SER A 11 14.366 11.439 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.058 13.674 2.124 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.883 13.218 3.341 1.00 0.00 H new ATOM 0 HG SER A 11 15.563 12.663 4.764 1.00 0.00 H new ATOM 192 N LYS A 12 17.109 11.077 3.237 1.00 0.00 N ATOM 193 CA LYS A 12 18.535 10.657 3.118 1.00 0.00 C ATOM 194 C LYS A 12 18.907 9.857 4.360 1.00 0.00 C ATOM 195 O LYS A 12 19.895 10.128 5.012 1.00 0.00 O ATOM 196 CB LYS A 12 19.360 11.957 3.081 1.00 0.00 C ATOM 197 CG LYS A 12 18.679 13.032 2.218 1.00 0.00 C ATOM 198 CD LYS A 12 18.855 12.692 0.736 1.00 0.00 C ATOM 199 CE LYS A 12 19.563 13.851 0.028 1.00 0.00 C ATOM 200 NZ LYS A 12 19.322 13.622 -1.424 1.00 0.00 N ATOM 0 H LYS A 12 16.822 11.356 4.175 1.00 0.00 H new ATOM 0 HA LYS A 12 18.714 10.047 2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.493 12.334 4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 12 20.354 11.747 2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 12 17.619 13.092 2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.111 14.010 2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.436 11.776 0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.884 12.509 0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.162 14.813 0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.629 13.859 0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.778 14.377 -1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.721 12.702 -1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.299 13.626 -1.611 1.00 0.00 H new ATOM 214 N HIS A 13 18.103 8.901 4.721 1.00 0.00 N ATOM 215 CA HIS A 13 18.398 8.123 5.959 1.00 0.00 C ATOM 216 C HIS A 13 18.112 6.639 5.723 1.00 0.00 C ATOM 217 O HIS A 13 18.995 5.806 5.781 1.00 0.00 O ATOM 218 CB HIS A 13 17.452 8.686 7.042 1.00 0.00 C ATOM 219 CG HIS A 13 17.135 10.138 6.764 1.00 0.00 C ATOM 220 ND1 HIS A 13 18.120 11.109 6.705 1.00 0.00 N ATOM 221 CD2 HIS A 13 15.960 10.780 6.465 1.00 0.00 C ATOM 222 CE1 HIS A 13 17.524 12.268 6.374 1.00 0.00 C ATOM 223 NE2 HIS A 13 16.209 12.124 6.222 1.00 0.00 N ATOM 0 H HIS A 13 17.260 8.623 4.219 1.00 0.00 H new ATOM 0 HA HIS A 13 19.443 8.211 6.256 1.00 0.00 H new ATOM 0 HB2 HIS A 13 16.530 8.105 7.066 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.915 8.590 8.024 1.00 0.00 H new ATOM 0 HD1 HIS A 13 19.115 10.971 6.880 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.988 10.311 6.425 1.00 0.00 H new ATOM 0 HE1 HIS A 13 18.049 13.203 6.247 1.00 0.00 H new ATOM 231 N ASN A 14 16.879 6.306 5.455 1.00 0.00 N ATOM 232 CA ASN A 14 16.522 4.880 5.211 1.00 0.00 C ATOM 233 C ASN A 14 15.597 4.774 3.988 1.00 0.00 C ATOM 234 O ASN A 14 14.572 5.426 3.938 1.00 0.00 O ATOM 235 CB ASN A 14 15.787 4.441 6.476 1.00 0.00 C ATOM 236 CG ASN A 14 15.511 2.938 6.413 1.00 0.00 C ATOM 237 OD1 ASN A 14 15.381 2.377 5.343 1.00 0.00 O ATOM 238 ND2 ASN A 14 15.417 2.257 7.522 1.00 0.00 N ATOM 0 H ASN A 14 16.101 6.963 5.394 1.00 0.00 H new ATOM 0 HA ASN A 14 17.394 4.259 5.008 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.386 4.674 7.356 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.850 4.989 6.573 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.234 1.254 7.491 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.526 2.728 8.420 1.00 0.00 H new ATOM 245 N PRO A 15 15.986 3.961 3.033 1.00 0.00 N ATOM 246 CA PRO A 15 15.166 3.793 1.809 1.00 0.00 C ATOM 247 C PRO A 15 13.962 2.882 2.078 1.00 0.00 C ATOM 248 O PRO A 15 14.104 1.693 2.287 1.00 0.00 O ATOM 249 CB PRO A 15 16.124 3.137 0.822 1.00 0.00 C ATOM 250 CG PRO A 15 17.142 2.433 1.663 1.00 0.00 C ATOM 251 CD PRO A 15 17.204 3.141 2.994 1.00 0.00 C ATOM 0 HA PRO A 15 14.756 4.735 1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.599 2.437 0.172 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.593 3.880 0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.869 1.386 1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 15 18.117 2.448 1.176 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.231 2.431 3.820 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.100 3.757 3.074 1.00 0.00 H new ATOM 259 N HIS A 16 12.777 3.430 2.060 1.00 0.00 N ATOM 260 CA HIS A 16 11.561 2.597 2.298 1.00 0.00 C ATOM 261 C HIS A 16 10.299 3.394 1.977 1.00 0.00 C ATOM 262 O HIS A 16 10.023 4.409 2.579 1.00 0.00 O ATOM 263 CB HIS A 16 11.589 2.222 3.786 1.00 0.00 C ATOM 264 CG HIS A 16 11.553 3.465 4.635 1.00 0.00 C ATOM 265 ND1 HIS A 16 10.370 4.125 4.956 1.00 0.00 N ATOM 266 CD2 HIS A 16 12.556 4.185 5.230 1.00 0.00 C ATOM 267 CE1 HIS A 16 10.700 5.194 5.709 1.00 0.00 C ATOM 268 NE2 HIS A 16 12.019 5.274 5.906 1.00 0.00 N ATOM 0 H HIS A 16 12.597 4.420 1.891 1.00 0.00 H new ATOM 0 HA HIS A 16 11.555 1.712 1.662 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.737 1.585 4.024 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.488 1.647 4.007 1.00 0.00 H new ATOM 0 HD1 HIS A 16 9.429 3.851 4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 16 13.607 3.942 5.181 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.985 5.900 6.105 1.00 0.00 H new ATOM 276 N TYR A 17 9.521 2.943 1.040 1.00 0.00 N ATOM 277 CA TYR A 17 8.274 3.670 0.719 1.00 0.00 C ATOM 278 C TYR A 17 7.102 2.831 1.171 1.00 0.00 C ATOM 279 O TYR A 17 7.193 1.624 1.198 1.00 0.00 O ATOM 280 CB TYR A 17 8.206 3.775 -0.801 1.00 0.00 C ATOM 281 CG TYR A 17 9.504 4.241 -1.403 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.420 4.975 -0.650 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.776 3.944 -2.739 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.607 5.410 -1.229 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.959 4.378 -3.324 1.00 0.00 C ATOM 286 CZ TYR A 17 11.884 5.114 -2.572 1.00 0.00 C ATOM 287 OH TYR A 17 13.061 5.547 -3.149 1.00 0.00 O ATOM 0 H TYR A 17 9.696 2.105 0.485 1.00 0.00 H new ATOM 0 HA TYR A 17 8.251 4.648 1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.944 2.803 -1.218 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.411 4.466 -1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.207 5.206 0.383 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.065 3.375 -3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.317 5.976 -0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.166 4.148 -4.359 1.00 0.00 H new ATOM 0 HH TYR A 17 13.094 5.255 -4.084 1.00 0.00 H new ATOM 297 N ARG A 18 5.986 3.421 1.469 1.00 0.00 N ATOM 298 CA ARG A 18 4.834 2.567 1.833 1.00 0.00 C ATOM 299 C ARG A 18 3.896 2.542 0.637 1.00 0.00 C ATOM 300 O ARG A 18 4.009 3.353 -0.261 1.00 0.00 O ATOM 301 CB ARG A 18 4.203 3.150 3.120 1.00 0.00 C ATOM 302 CG ARG A 18 2.943 3.983 2.827 1.00 0.00 C ATOM 303 CD ARG A 18 2.297 4.395 4.151 1.00 0.00 C ATOM 304 NE ARG A 18 2.486 5.873 4.234 1.00 0.00 N ATOM 305 CZ ARG A 18 2.396 6.499 5.385 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.136 5.846 6.491 1.00 0.00 N ATOM 307 NH2 ARG A 18 2.570 7.792 5.431 1.00 0.00 N ATOM 0 H ARG A 18 5.823 4.428 1.477 1.00 0.00 H new ATOM 0 HA ARG A 18 5.105 1.535 2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.948 2.336 3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.937 3.773 3.632 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.203 4.867 2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.239 3.403 2.229 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.240 4.131 4.172 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.769 3.890 4.994 1.00 0.00 H new ATOM 0 HE ARG A 18 2.688 6.403 3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.000 4.835 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.070 6.348 7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.774 8.310 4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.501 8.284 6.322 1.00 0.00 H new ATOM 321 N ILE A 19 2.968 1.647 0.619 1.00 0.00 N ATOM 322 CA ILE A 19 2.033 1.606 -0.512 1.00 0.00 C ATOM 323 C ILE A 19 0.804 2.335 -0.009 1.00 0.00 C ATOM 324 O ILE A 19 -0.114 1.761 0.537 1.00 0.00 O ATOM 325 CB ILE A 19 1.764 0.126 -0.844 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.816 -0.816 -0.217 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.830 -0.046 -2.359 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.614 -2.250 -0.721 1.00 0.00 C ATOM 0 H ILE A 19 2.817 0.942 1.340 1.00 0.00 H new ATOM 0 HA ILE A 19 2.394 2.073 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 19 0.786 -0.134 -0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.819 -0.472 -0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.735 -0.790 0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.642 -1.089 -2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.076 0.585 -2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.819 0.243 -2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.362 -2.903 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.618 -2.596 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.718 -2.272 -1.806 1.00 0.00 H new ATOM 340 N VAL A 20 0.856 3.633 -0.113 1.00 0.00 N ATOM 341 CA VAL A 20 -0.214 4.489 0.433 1.00 0.00 C ATOM 342 C VAL A 20 -1.211 4.892 -0.659 1.00 0.00 C ATOM 343 O VAL A 20 -1.002 4.645 -1.829 1.00 0.00 O ATOM 344 CB VAL A 20 0.586 5.683 1.011 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.587 6.890 0.066 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.001 6.094 2.355 1.00 0.00 C ATOM 0 H VAL A 20 1.616 4.141 -0.565 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.840 4.009 1.185 1.00 0.00 H new ATOM 0 HB VAL A 20 1.618 5.355 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.160 7.702 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.040 6.608 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.438 7.220 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.565 6.934 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.042 6.388 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.054 5.254 3.048 1.00 0.00 H new ATOM 356 N VAL A 21 -2.312 5.475 -0.270 1.00 0.00 N ATOM 357 CA VAL A 21 -3.353 5.857 -1.263 1.00 0.00 C ATOM 358 C VAL A 21 -3.481 7.378 -1.346 1.00 0.00 C ATOM 359 O VAL A 21 -4.050 8.009 -0.477 1.00 0.00 O ATOM 360 CB VAL A 21 -4.678 5.246 -0.755 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.496 4.767 -1.947 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.441 4.050 0.172 1.00 0.00 C ATOM 0 H VAL A 21 -2.535 5.704 0.699 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.097 5.494 -2.259 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.203 6.020 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.433 4.335 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.710 5.610 -2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.932 4.013 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.400 3.652 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.894 3.276 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.861 4.370 1.037 1.00 0.00 H new ATOM 372 N THR A 22 -2.969 7.971 -2.386 1.00 0.00 N ATOM 373 CA THR A 22 -3.076 9.454 -2.524 1.00 0.00 C ATOM 374 C THR A 22 -3.596 9.818 -3.916 1.00 0.00 C ATOM 375 O THR A 22 -3.984 8.965 -4.689 1.00 0.00 O ATOM 376 CB THR A 22 -1.654 9.996 -2.321 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.608 11.356 -2.729 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.653 9.187 -3.150 1.00 0.00 C ATOM 0 H THR A 22 -2.482 7.497 -3.146 1.00 0.00 H new ATOM 0 HA THR A 22 -3.771 9.879 -1.800 1.00 0.00 H new ATOM 0 HB THR A 22 -1.391 9.913 -1.267 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.310 11.913 -1.979 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.351 9.583 -2.996 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.683 8.143 -2.839 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.913 9.259 -4.206 1.00 0.00 H new ATOM 386 N ASP A 23 -3.611 11.081 -4.237 1.00 0.00 N ATOM 387 CA ASP A 23 -4.111 11.506 -5.575 1.00 0.00 C ATOM 388 C ASP A 23 -3.343 12.743 -6.052 1.00 0.00 C ATOM 389 O ASP A 23 -2.176 12.905 -5.757 1.00 0.00 O ATOM 390 CB ASP A 23 -5.590 11.826 -5.350 1.00 0.00 C ATOM 391 CG ASP A 23 -5.717 12.956 -4.328 1.00 0.00 C ATOM 392 OD1 ASP A 23 -5.624 12.672 -3.145 1.00 0.00 O ATOM 393 OD2 ASP A 23 -5.906 14.087 -4.746 1.00 0.00 O ATOM 0 H ASP A 23 -3.298 11.839 -3.630 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.975 10.742 -6.341 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.057 12.118 -6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.115 10.939 -4.995 1.00 0.00 H new ATOM 398 N ALA A 24 -3.980 13.614 -6.787 1.00 0.00 N ATOM 399 CA ALA A 24 -3.273 14.833 -7.278 1.00 0.00 C ATOM 400 C ALA A 24 -2.597 15.562 -6.112 1.00 0.00 C ATOM 401 O ALA A 24 -3.203 16.369 -5.436 1.00 0.00 O ATOM 402 CB ALA A 24 -4.369 15.705 -7.892 1.00 0.00 C ATOM 0 H ALA A 24 -4.957 13.535 -7.069 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.490 14.594 -7.997 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.929 16.625 -8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.851 15.164 -8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.109 15.949 -7.130 1.00 0.00 H new ATOM 408 N ARG A 25 -1.345 15.280 -5.872 1.00 0.00 N ATOM 409 CA ARG A 25 -0.627 15.955 -4.749 1.00 0.00 C ATOM 410 C ARG A 25 -0.815 17.472 -4.834 1.00 0.00 C ATOM 411 O ARG A 25 -0.911 18.036 -5.905 1.00 0.00 O ATOM 412 CB ARG A 25 0.844 15.583 -4.941 1.00 0.00 C ATOM 413 CG ARG A 25 1.030 14.089 -4.670 1.00 0.00 C ATOM 414 CD ARG A 25 2.353 13.617 -5.274 1.00 0.00 C ATOM 415 NE ARG A 25 2.023 13.251 -6.682 1.00 0.00 N ATOM 416 CZ ARG A 25 1.378 12.142 -6.956 1.00 0.00 C ATOM 417 NH1 ARG A 25 1.009 11.325 -6.001 1.00 0.00 N ATOM 418 NH2 ARG A 25 1.103 11.848 -8.197 1.00 0.00 N ATOM 0 H ARG A 25 -0.787 14.612 -6.404 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.002 15.646 -3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.161 15.822 -5.956 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.469 16.167 -4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.021 13.900 -3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.201 13.526 -5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.107 14.403 -5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.755 12.764 -4.728 1.00 0.00 H new ATOM 0 HE ARG A 25 2.303 13.871 -7.442 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.223 11.547 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.508 10.466 -6.230 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.389 12.479 -8.946 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.602 10.988 -8.418 1.00 0.00 H new ATOM 432 N ARG A 26 -0.875 18.133 -3.712 1.00 0.00 N ATOM 433 CA ARG A 26 -1.064 19.611 -3.726 1.00 0.00 C ATOM 434 C ARG A 26 0.206 20.307 -4.220 1.00 0.00 C ATOM 435 O ARG A 26 1.114 19.681 -4.727 1.00 0.00 O ATOM 436 CB ARG A 26 -1.350 19.988 -2.273 1.00 0.00 C ATOM 437 CG ARG A 26 -2.570 19.211 -1.773 1.00 0.00 C ATOM 438 CD ARG A 26 -2.837 19.572 -0.311 1.00 0.00 C ATOM 439 NE ARG A 26 -4.315 19.763 -0.222 1.00 0.00 N ATOM 440 CZ ARG A 26 -4.849 20.420 0.783 1.00 0.00 C ATOM 441 NH1 ARG A 26 -4.100 20.931 1.728 1.00 0.00 N ATOM 442 NH2 ARG A 26 -6.146 20.566 0.840 1.00 0.00 N ATOM 0 H ARG A 26 -0.801 17.714 -2.785 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.870 19.915 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.483 19.764 -1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.531 21.060 -2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.442 19.449 -2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.397 18.139 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.501 18.780 0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.304 20.479 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.917 19.379 -0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.087 20.822 1.691 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.530 21.438 2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.736 20.171 0.108 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.568 21.075 1.617 1.00 0.00 H new ATOM 456 N LYS A 27 0.272 21.602 -4.073 1.00 0.00 N ATOM 457 CA LYS A 27 1.480 22.347 -4.530 1.00 0.00 C ATOM 458 C LYS A 27 2.381 22.688 -3.338 1.00 0.00 C ATOM 459 O LYS A 27 3.259 23.522 -3.433 1.00 0.00 O ATOM 460 CB LYS A 27 0.932 23.624 -5.169 1.00 0.00 C ATOM 461 CG LYS A 27 0.115 24.402 -4.134 1.00 0.00 C ATOM 462 CD LYS A 27 -1.351 24.447 -4.568 1.00 0.00 C ATOM 463 CE LYS A 27 -2.163 25.242 -3.541 1.00 0.00 C ATOM 464 NZ LYS A 27 -2.425 24.283 -2.432 1.00 0.00 N ATOM 0 H LYS A 27 -0.459 22.177 -3.656 1.00 0.00 H new ATOM 0 HA LYS A 27 2.086 21.765 -5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.752 24.240 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.309 23.375 -6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.201 23.928 -3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.506 25.414 -4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.436 24.909 -5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.747 23.435 -4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.609 26.112 -3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.094 25.610 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.431 24.020 -2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.845 23.430 -2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.182 24.728 -1.524 1.00 0.00 H new ATOM 478 N ARG A 28 2.172 22.052 -2.216 1.00 0.00 N ATOM 479 CA ARG A 28 3.017 22.349 -1.025 1.00 0.00 C ATOM 480 C ARG A 28 3.350 21.055 -0.278 1.00 0.00 C ATOM 481 O ARG A 28 4.499 20.683 -0.142 1.00 0.00 O ATOM 482 CB ARG A 28 2.159 23.268 -0.155 1.00 0.00 C ATOM 483 CG ARG A 28 3.061 24.223 0.626 1.00 0.00 C ATOM 484 CD ARG A 28 3.235 23.704 2.055 1.00 0.00 C ATOM 485 NE ARG A 28 3.691 24.887 2.842 1.00 0.00 N ATOM 486 CZ ARG A 28 3.695 24.860 4.153 1.00 0.00 C ATOM 487 NH1 ARG A 28 3.299 23.795 4.807 1.00 0.00 N ATOM 488 NH2 ARG A 28 4.096 25.909 4.816 1.00 0.00 N ATOM 0 H ARG A 28 1.454 21.341 -2.074 1.00 0.00 H new ATOM 0 HA ARG A 28 3.967 22.812 -1.294 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.467 23.834 -0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.557 22.676 0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.032 24.306 0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.625 25.222 0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.299 23.306 2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.967 22.897 2.096 1.00 0.00 H new ATOM 0 HE ARG A 28 4.003 25.727 2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.982 22.971 4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.308 23.790 5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.403 26.742 4.315 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.102 25.896 5.836 1.00 0.00 H new ATOM 502 N ASP A 29 2.353 20.366 0.207 1.00 0.00 N ATOM 503 CA ASP A 29 2.613 19.096 0.946 1.00 0.00 C ATOM 504 C ASP A 29 1.636 18.009 0.489 1.00 0.00 C ATOM 505 O ASP A 29 0.661 17.716 1.152 1.00 0.00 O ATOM 506 CB ASP A 29 2.382 19.438 2.418 1.00 0.00 C ATOM 507 CG ASP A 29 3.681 19.972 3.028 1.00 0.00 C ATOM 508 OD1 ASP A 29 4.519 20.436 2.273 1.00 0.00 O ATOM 509 OD2 ASP A 29 3.814 19.907 4.239 1.00 0.00 O ATOM 0 H ASP A 29 1.370 20.627 0.124 1.00 0.00 H new ATOM 0 HA ASP A 29 3.619 18.715 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.592 20.183 2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.050 18.553 2.960 1.00 0.00 H new ATOM 514 N GLY A 30 1.892 17.405 -0.640 1.00 0.00 N ATOM 515 CA GLY A 30 0.981 16.337 -1.139 1.00 0.00 C ATOM 516 C GLY A 30 0.871 15.227 -0.092 1.00 0.00 C ATOM 517 O GLY A 30 1.853 14.796 0.476 1.00 0.00 O ATOM 0 H GLY A 30 2.693 17.606 -1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.005 16.753 -1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.360 15.930 -2.077 1.00 0.00 H new ATOM 521 N LYS A 31 -0.322 14.763 0.168 1.00 0.00 N ATOM 522 CA LYS A 31 -0.499 13.681 1.179 1.00 0.00 C ATOM 523 C LYS A 31 -1.406 12.580 0.620 1.00 0.00 C ATOM 524 O LYS A 31 -1.840 12.637 -0.514 1.00 0.00 O ATOM 525 CB LYS A 31 -1.160 14.362 2.377 1.00 0.00 C ATOM 526 CG LYS A 31 -2.492 14.978 1.942 1.00 0.00 C ATOM 527 CD LYS A 31 -3.615 14.459 2.844 1.00 0.00 C ATOM 528 CE LYS A 31 -4.924 15.166 2.485 1.00 0.00 C ATOM 529 NZ LYS A 31 -5.923 14.644 3.460 1.00 0.00 N ATOM 0 H LYS A 31 -1.181 15.087 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 31 0.446 13.209 1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.325 13.638 3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.504 15.134 2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.438 16.065 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.700 14.724 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.726 13.382 2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.368 14.638 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.823 16.248 2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.222 14.948 1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.848 15.083 3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.003 13.612 3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.616 14.872 4.427 1.00 0.00 H new ATOM 543 N TYR A 32 -1.699 11.582 1.408 1.00 0.00 N ATOM 544 CA TYR A 32 -2.582 10.478 0.922 1.00 0.00 C ATOM 545 C TYR A 32 -3.867 10.426 1.746 1.00 0.00 C ATOM 546 O TYR A 32 -4.033 11.147 2.710 1.00 0.00 O ATOM 547 CB TYR A 32 -1.784 9.184 1.126 1.00 0.00 C ATOM 548 CG TYR A 32 -1.246 9.135 2.537 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.064 8.697 3.583 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.069 9.535 2.795 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.566 8.660 4.890 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.567 9.497 4.103 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.251 9.061 5.150 1.00 0.00 C ATOM 554 OH TYR A 32 0.240 9.024 6.440 1.00 0.00 O ATOM 0 H TYR A 32 -1.367 11.481 2.367 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.864 10.623 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.421 8.319 0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.962 9.135 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.079 8.388 3.382 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.700 9.873 1.986 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.197 8.322 5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.583 9.804 4.303 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.203 8.306 6.938 1.00 0.00 H new ATOM 564 N ILE A 33 -4.771 9.566 1.377 1.00 0.00 N ATOM 565 CA ILE A 33 -6.042 9.446 2.138 1.00 0.00 C ATOM 566 C ILE A 33 -5.822 8.545 3.354 1.00 0.00 C ATOM 567 O ILE A 33 -6.259 8.838 4.449 1.00 0.00 O ATOM 568 CB ILE A 33 -7.021 8.803 1.161 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.176 9.700 -0.070 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.376 8.632 1.840 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.368 8.831 -1.313 1.00 0.00 C ATOM 0 H ILE A 33 -4.684 8.938 0.578 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.410 10.404 2.506 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.642 7.828 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.030 10.365 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.295 10.331 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.077 8.173 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.266 7.994 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.755 9.607 2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.478 9.469 -2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.500 8.184 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.262 8.219 -1.195 1.00 0.00 H new ATOM 583 N GLU A 34 -5.133 7.453 3.165 1.00 0.00 N ATOM 584 CA GLU A 34 -4.861 6.526 4.298 1.00 0.00 C ATOM 585 C GLU A 34 -3.686 5.609 3.942 1.00 0.00 C ATOM 586 O GLU A 34 -3.335 5.463 2.790 1.00 0.00 O ATOM 587 CB GLU A 34 -6.148 5.717 4.471 1.00 0.00 C ATOM 588 CG GLU A 34 -6.711 5.940 5.877 1.00 0.00 C ATOM 589 CD GLU A 34 -6.893 4.591 6.574 1.00 0.00 C ATOM 590 OE1 GLU A 34 -5.914 3.875 6.697 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.009 4.297 6.970 1.00 0.00 O ATOM 0 H GLU A 34 -4.745 7.162 2.268 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.593 7.052 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.882 6.018 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.947 4.657 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.036 6.571 6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.666 6.463 5.819 1.00 0.00 H new ATOM 598 N LYS A 35 -3.073 4.993 4.914 1.00 0.00 N ATOM 599 CA LYS A 35 -1.924 4.091 4.612 1.00 0.00 C ATOM 600 C LYS A 35 -2.395 2.633 4.573 1.00 0.00 C ATOM 601 O LYS A 35 -2.858 2.094 5.559 1.00 0.00 O ATOM 602 CB LYS A 35 -0.929 4.318 5.753 1.00 0.00 C ATOM 603 CG LYS A 35 -1.543 3.861 7.080 1.00 0.00 C ATOM 604 CD LYS A 35 -1.278 4.913 8.157 1.00 0.00 C ATOM 605 CE LYS A 35 -1.946 4.484 9.466 1.00 0.00 C ATOM 606 NZ LYS A 35 -3.038 5.474 9.681 1.00 0.00 N ATOM 0 H LYS A 35 -3.316 5.074 5.901 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.474 4.300 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.009 3.767 5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.663 5.373 5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.616 3.709 6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.116 2.904 7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.205 5.033 8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.666 5.881 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.340 3.470 9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.236 4.493 10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.544 5.247 10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.632 6.429 9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.702 5.438 8.881 1.00 0.00 H new ATOM 620 N ILE A 36 -2.292 1.989 3.440 1.00 0.00 N ATOM 621 CA ILE A 36 -2.753 0.568 3.356 1.00 0.00 C ATOM 622 C ILE A 36 -1.581 -0.396 3.336 1.00 0.00 C ATOM 623 O ILE A 36 -1.658 -1.488 3.864 1.00 0.00 O ATOM 624 CB ILE A 36 -3.529 0.471 2.045 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.602 0.788 0.864 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.680 1.468 2.068 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.366 0.641 -0.447 1.00 0.00 C ATOM 0 H ILE A 36 -1.913 2.379 2.577 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.360 0.302 4.221 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.919 -0.540 1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.213 1.802 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.744 0.116 0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.237 1.402 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.343 1.239 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.285 2.477 2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.703 0.867 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.733 -0.381 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.209 1.332 -0.456 1.00 0.00 H new ATOM 639 N GLY A 37 -0.512 -0.029 2.705 1.00 0.00 N ATOM 640 CA GLY A 37 0.628 -0.964 2.628 1.00 0.00 C ATOM 641 C GLY A 37 1.935 -0.316 3.055 1.00 0.00 C ATOM 642 O GLY A 37 2.021 0.866 3.322 1.00 0.00 O ATOM 0 H GLY A 37 -0.379 0.870 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.430 -1.828 3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.724 -1.333 1.607 1.00 0.00 H new ATOM 646 N TYR A 38 2.965 -1.110 3.065 1.00 0.00 N ATOM 647 CA TYR A 38 4.328 -0.618 3.408 1.00 0.00 C ATOM 648 C TYR A 38 5.332 -1.305 2.478 1.00 0.00 C ATOM 649 O TYR A 38 5.150 -2.453 2.121 1.00 0.00 O ATOM 650 CB TYR A 38 4.566 -1.039 4.857 1.00 0.00 C ATOM 651 CG TYR A 38 5.797 -0.339 5.386 1.00 0.00 C ATOM 652 CD1 TYR A 38 7.073 -0.752 4.978 1.00 0.00 C ATOM 653 CD2 TYR A 38 5.661 0.722 6.288 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.209 -0.102 5.474 1.00 0.00 C ATOM 655 CE2 TYR A 38 6.798 1.371 6.784 1.00 0.00 C ATOM 656 CZ TYR A 38 8.072 0.959 6.378 1.00 0.00 C ATOM 657 OH TYR A 38 9.194 1.597 6.867 1.00 0.00 O ATOM 0 H TYR A 38 2.919 -2.105 2.844 1.00 0.00 H new ATOM 0 HA TYR A 38 4.434 0.461 3.295 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.699 -0.786 5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.694 -2.120 4.917 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.179 -1.571 4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.678 1.041 6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.192 -0.419 5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.692 2.190 7.480 1.00 0.00 H new ATOM 0 HH TYR A 38 9.479 2.289 6.234 1.00 0.00 H new ATOM 667 N TYR A 39 6.389 -0.644 2.082 1.00 0.00 N ATOM 668 CA TYR A 39 7.366 -1.327 1.185 1.00 0.00 C ATOM 669 C TYR A 39 8.802 -0.909 1.536 1.00 0.00 C ATOM 670 O TYR A 39 9.111 0.260 1.640 1.00 0.00 O ATOM 671 CB TYR A 39 7.019 -0.904 -0.249 1.00 0.00 C ATOM 672 CG TYR A 39 8.039 -1.481 -1.216 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.702 -2.684 -0.921 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.324 -0.810 -2.409 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.641 -3.209 -1.815 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.264 -1.338 -3.303 1.00 0.00 C ATOM 677 CZ TYR A 39 9.922 -2.537 -3.006 1.00 0.00 C ATOM 678 OH TYR A 39 10.848 -3.054 -3.889 1.00 0.00 O ATOM 0 H TYR A 39 6.615 0.318 2.334 1.00 0.00 H new ATOM 0 HA TYR A 39 7.308 -2.410 1.298 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.020 -1.253 -0.509 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.007 0.183 -0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.486 -3.206 -0.000 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.819 0.116 -2.641 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.148 -4.134 -1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.482 -0.818 -4.224 1.00 0.00 H new ATOM 0 HH TYR A 39 11.278 -2.322 -4.378 1.00 0.00 H new ATOM 688 N ASP A 40 9.686 -1.853 1.715 1.00 0.00 N ATOM 689 CA ASP A 40 11.095 -1.493 2.054 1.00 0.00 C ATOM 690 C ASP A 40 12.073 -2.366 1.256 1.00 0.00 C ATOM 691 O ASP A 40 12.431 -3.442 1.689 1.00 0.00 O ATOM 692 CB ASP A 40 11.226 -1.774 3.551 1.00 0.00 C ATOM 693 CG ASP A 40 12.325 -0.890 4.143 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.285 -0.621 3.441 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.186 -0.496 5.290 1.00 0.00 O ATOM 0 H ASP A 40 9.496 -2.853 1.642 1.00 0.00 H new ATOM 0 HA ASP A 40 11.325 -0.456 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.278 -1.579 4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.463 -2.825 3.715 1.00 0.00 H new ATOM 700 N PRO A 41 12.475 -1.875 0.110 1.00 0.00 N ATOM 701 CA PRO A 41 13.418 -2.635 -0.750 1.00 0.00 C ATOM 702 C PRO A 41 14.824 -2.644 -0.140 1.00 0.00 C ATOM 703 O PRO A 41 15.739 -2.033 -0.656 1.00 0.00 O ATOM 704 CB PRO A 41 13.402 -1.866 -2.069 1.00 0.00 C ATOM 705 CG PRO A 41 12.990 -0.475 -1.701 1.00 0.00 C ATOM 706 CD PRO A 41 12.102 -0.586 -0.490 1.00 0.00 C ATOM 0 HA PRO A 41 13.136 -3.681 -0.867 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.384 -1.875 -2.543 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.702 -2.311 -2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.863 0.141 -1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.460 0.001 -2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.267 0.239 0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.048 -0.565 -0.765 1.00 0.00 H new ATOM 714 N ARG A 42 15.003 -3.335 0.953 1.00 0.00 N ATOM 715 CA ARG A 42 16.344 -3.386 1.591 1.00 0.00 C ATOM 716 C ARG A 42 17.153 -4.563 1.035 1.00 0.00 C ATOM 717 O ARG A 42 16.607 -5.488 0.465 1.00 0.00 O ATOM 718 CB ARG A 42 16.068 -3.579 3.083 1.00 0.00 C ATOM 719 CG ARG A 42 16.411 -2.291 3.836 1.00 0.00 C ATOM 720 CD ARG A 42 17.880 -2.327 4.263 1.00 0.00 C ATOM 721 NE ARG A 42 17.849 -2.324 5.756 1.00 0.00 N ATOM 722 CZ ARG A 42 18.962 -2.369 6.451 1.00 0.00 C ATOM 723 NH1 ARG A 42 20.126 -2.435 5.854 1.00 0.00 N ATOM 724 NH2 ARG A 42 18.909 -2.353 7.755 1.00 0.00 N ATOM 0 H ARG A 42 14.275 -3.867 1.431 1.00 0.00 H new ATOM 0 HA ARG A 42 16.926 -2.485 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.021 -3.837 3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.661 -4.408 3.469 1.00 0.00 H new ATOM 0 HG2 ARG A 42 16.227 -1.425 3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.769 -2.186 4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 42 18.380 -3.217 3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 42 18.424 -1.465 3.878 1.00 0.00 H new ATOM 0 HE ARG A 42 16.953 -2.287 6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 42 20.176 -2.452 4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 42 20.982 -2.469 6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.007 -2.306 8.228 1.00 0.00 H new ATOM 0 HH22 ARG A 42 19.770 -2.388 8.301 1.00 0.00 H new ATOM 738 N LYS A 43 18.449 -4.536 1.191 1.00 0.00 N ATOM 739 CA LYS A 43 19.288 -5.653 0.666 1.00 0.00 C ATOM 740 C LYS A 43 19.657 -6.623 1.793 1.00 0.00 C ATOM 741 O LYS A 43 20.809 -6.760 2.154 1.00 0.00 O ATOM 742 CB LYS A 43 20.540 -4.979 0.100 1.00 0.00 C ATOM 743 CG LYS A 43 21.290 -4.255 1.220 1.00 0.00 C ATOM 744 CD LYS A 43 22.781 -4.590 1.133 1.00 0.00 C ATOM 745 CE LYS A 43 23.586 -3.553 1.920 1.00 0.00 C ATOM 746 NZ LYS A 43 24.735 -4.313 2.488 1.00 0.00 N ATOM 0 H LYS A 43 18.963 -3.790 1.659 1.00 0.00 H new ATOM 0 HA LYS A 43 18.765 -6.238 -0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 43 21.188 -5.724 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 43 20.262 -4.271 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 43 21.142 -3.178 1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 43 20.895 -4.555 2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 43 22.964 -5.587 1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 43 23.102 -4.600 0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 43 23.928 -2.744 1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 43 22.984 -3.099 2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 25.336 -3.671 3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 24.379 -5.072 3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 25.293 -4.728 1.715 1.00 0.00 H new ATOM 760 N THR A 44 18.689 -7.300 2.348 1.00 0.00 N ATOM 761 CA THR A 44 18.987 -8.263 3.447 1.00 0.00 C ATOM 762 C THR A 44 18.205 -9.562 3.234 1.00 0.00 C ATOM 763 O THR A 44 18.774 -10.631 3.127 1.00 0.00 O ATOM 764 CB THR A 44 18.527 -7.560 4.724 1.00 0.00 C ATOM 765 OG1 THR A 44 17.226 -7.027 4.524 1.00 0.00 O ATOM 766 CG2 THR A 44 19.497 -6.428 5.066 1.00 0.00 C ATOM 0 H THR A 44 17.705 -7.228 2.088 1.00 0.00 H new ATOM 0 HA THR A 44 20.043 -8.531 3.489 1.00 0.00 H new ATOM 0 HB THR A 44 18.506 -8.276 5.546 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.928 -6.577 5.342 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.167 -5.929 5.977 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.495 -6.838 5.219 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.521 -5.710 4.247 1.00 0.00 H new ATOM 774 N THR A 45 16.904 -9.478 3.172 1.00 0.00 N ATOM 775 CA THR A 45 16.084 -10.706 2.965 1.00 0.00 C ATOM 776 C THR A 45 15.130 -10.510 1.777 1.00 0.00 C ATOM 777 O THR A 45 14.898 -9.395 1.352 1.00 0.00 O ATOM 778 CB THR A 45 15.296 -10.879 4.264 1.00 0.00 C ATOM 779 OG1 THR A 45 14.603 -9.675 4.558 1.00 0.00 O ATOM 780 CG2 THR A 45 16.257 -11.209 5.408 1.00 0.00 C ATOM 0 H THR A 45 16.373 -8.611 3.256 1.00 0.00 H new ATOM 0 HA THR A 45 16.696 -11.580 2.741 1.00 0.00 H new ATOM 0 HB THR A 45 14.580 -11.693 4.149 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.692 -9.727 4.201 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.693 -11.332 6.333 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.789 -12.133 5.182 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.975 -10.397 5.526 1.00 0.00 H new ATOM 788 N PRO A 46 14.606 -11.604 1.276 1.00 0.00 N ATOM 789 CA PRO A 46 13.673 -11.538 0.124 1.00 0.00 C ATOM 790 C PRO A 46 12.315 -10.975 0.562 1.00 0.00 C ATOM 791 O PRO A 46 11.629 -10.325 -0.202 1.00 0.00 O ATOM 792 CB PRO A 46 13.539 -12.993 -0.316 1.00 0.00 C ATOM 793 CG PRO A 46 13.864 -13.799 0.901 1.00 0.00 C ATOM 794 CD PRO A 46 14.828 -12.986 1.726 1.00 0.00 C ATOM 0 HA PRO A 46 14.028 -10.887 -0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.531 -13.206 -0.672 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.222 -13.222 -1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.961 -14.019 1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.307 -14.755 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.631 -13.095 2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.859 -13.299 1.559 1.00 0.00 H new ATOM 802 N ASP A 47 11.924 -11.220 1.782 1.00 0.00 N ATOM 803 CA ASP A 47 10.612 -10.699 2.261 1.00 0.00 C ATOM 804 C ASP A 47 10.768 -9.271 2.790 1.00 0.00 C ATOM 805 O ASP A 47 11.501 -9.021 3.726 1.00 0.00 O ATOM 806 CB ASP A 47 10.200 -11.648 3.387 1.00 0.00 C ATOM 807 CG ASP A 47 9.229 -12.695 2.840 1.00 0.00 C ATOM 808 OD1 ASP A 47 9.697 -13.698 2.326 1.00 0.00 O ATOM 809 OD2 ASP A 47 8.033 -12.475 2.943 1.00 0.00 O ATOM 0 H ASP A 47 12.455 -11.757 2.467 1.00 0.00 H new ATOM 0 HA ASP A 47 9.867 -10.660 1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.080 -12.136 3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.730 -11.088 4.196 1.00 0.00 H new ATOM 814 N TRP A 48 10.087 -8.328 2.195 1.00 0.00 N ATOM 815 CA TRP A 48 10.203 -6.913 2.666 1.00 0.00 C ATOM 816 C TRP A 48 8.897 -6.152 2.437 1.00 0.00 C ATOM 817 O TRP A 48 8.871 -4.938 2.468 1.00 0.00 O ATOM 818 CB TRP A 48 11.329 -6.263 1.839 1.00 0.00 C ATOM 819 CG TRP A 48 11.348 -6.778 0.424 1.00 0.00 C ATOM 820 CD1 TRP A 48 12.375 -7.466 -0.122 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.336 -6.657 -0.627 1.00 0.00 C ATOM 822 NE1 TRP A 48 12.061 -7.788 -1.428 1.00 0.00 N ATOM 823 CE2 TRP A 48 10.818 -7.312 -1.788 1.00 0.00 C ATOM 824 CE3 TRP A 48 9.063 -6.057 -0.692 1.00 0.00 C ATOM 825 CZ2 TRP A 48 10.069 -7.369 -2.964 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.309 -6.112 -1.875 1.00 0.00 C ATOM 827 CH2 TRP A 48 8.811 -6.768 -3.008 1.00 0.00 C ATOM 0 H TRP A 48 9.457 -8.473 1.406 1.00 0.00 H new ATOM 0 HA TRP A 48 10.418 -6.885 3.734 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.197 -5.181 1.831 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.290 -6.463 2.312 1.00 0.00 H new ATOM 0 HD1 TRP A 48 13.295 -7.723 0.382 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.674 -8.314 -2.051 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.664 -5.551 0.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.461 -7.875 -3.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.336 -5.646 -1.913 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.224 -6.808 -3.914 1.00 0.00 H new ATOM 838 N LEU A 49 7.819 -6.841 2.190 1.00 0.00 N ATOM 839 CA LEU A 49 6.537 -6.124 1.939 1.00 0.00 C ATOM 840 C LEU A 49 5.519 -6.406 3.046 1.00 0.00 C ATOM 841 O LEU A 49 5.244 -7.541 3.384 1.00 0.00 O ATOM 842 CB LEU A 49 6.038 -6.671 0.604 1.00 0.00 C ATOM 843 CG LEU A 49 5.159 -5.624 -0.081 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.980 -4.366 -0.369 1.00 0.00 C ATOM 845 CD2 LEU A 49 4.621 -6.201 -1.389 1.00 0.00 C ATOM 0 H LEU A 49 7.768 -7.859 2.151 1.00 0.00 H new ATOM 0 HA LEU A 49 6.676 -5.043 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.883 -6.926 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.471 -7.588 0.764 1.00 0.00 H new ATOM 0 HG LEU A 49 4.327 -5.361 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.349 -3.623 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.362 -3.959 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.815 -4.618 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.993 -5.459 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.454 -6.463 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.031 -7.093 -1.178 1.00 0.00 H new ATOM 857 N LYS A 50 4.947 -5.373 3.597 1.00 0.00 N ATOM 858 CA LYS A 50 3.927 -5.556 4.671 1.00 0.00 C ATOM 859 C LYS A 50 2.675 -4.763 4.299 1.00 0.00 C ATOM 860 O LYS A 50 2.687 -3.549 4.289 1.00 0.00 O ATOM 861 CB LYS A 50 4.562 -4.988 5.945 1.00 0.00 C ATOM 862 CG LYS A 50 5.958 -5.584 6.144 1.00 0.00 C ATOM 863 CD LYS A 50 5.854 -7.106 6.257 1.00 0.00 C ATOM 864 CE LYS A 50 6.459 -7.562 7.587 1.00 0.00 C ATOM 865 NZ LYS A 50 5.380 -8.347 8.249 1.00 0.00 N ATOM 0 H LYS A 50 5.142 -4.403 3.349 1.00 0.00 H new ATOM 0 HA LYS A 50 3.640 -6.599 4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.628 -3.902 5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.934 -5.215 6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.602 -5.314 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.415 -5.173 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.811 -7.415 6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.377 -7.580 5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.350 -8.170 7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.759 -6.710 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.718 -8.695 9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.548 -7.740 8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.120 -9.155 7.648 1.00 0.00 H new ATOM 879 N VAL A 51 1.599 -5.427 3.969 1.00 0.00 N ATOM 880 CA VAL A 51 0.377 -4.674 3.576 1.00 0.00 C ATOM 881 C VAL A 51 -0.868 -5.214 4.274 1.00 0.00 C ATOM 882 O VAL A 51 -0.933 -6.347 4.704 1.00 0.00 O ATOM 883 CB VAL A 51 0.273 -4.870 2.040 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.185 -5.062 1.580 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.815 -3.638 1.338 1.00 0.00 C ATOM 0 H VAL A 51 1.515 -6.443 3.955 1.00 0.00 H new ATOM 0 HA VAL A 51 0.443 -3.624 3.862 1.00 0.00 H new ATOM 0 HB VAL A 51 0.846 -5.763 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.211 -5.196 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.606 -5.943 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.771 -4.184 1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.743 -3.773 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.233 -2.765 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.858 -3.490 1.616 1.00 0.00 H new ATOM 895 N ASP A 52 -1.879 -4.403 4.297 1.00 0.00 N ATOM 896 CA ASP A 52 -3.178 -4.826 4.855 1.00 0.00 C ATOM 897 C ASP A 52 -4.086 -5.066 3.652 1.00 0.00 C ATOM 898 O ASP A 52 -5.004 -4.310 3.403 1.00 0.00 O ATOM 899 CB ASP A 52 -3.670 -3.642 5.692 1.00 0.00 C ATOM 900 CG ASP A 52 -4.559 -4.153 6.827 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.162 -5.103 7.482 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.623 -3.588 7.019 1.00 0.00 O ATOM 0 H ASP A 52 -1.857 -3.446 3.945 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.142 -5.724 5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.821 -3.094 6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.227 -2.946 5.065 1.00 0.00 H new ATOM 907 N VAL A 53 -3.775 -6.089 2.873 1.00 0.00 N ATOM 908 CA VAL A 53 -4.550 -6.404 1.620 1.00 0.00 C ATOM 909 C VAL A 53 -6.035 -6.045 1.769 1.00 0.00 C ATOM 910 O VAL A 53 -6.669 -5.633 0.821 1.00 0.00 O ATOM 911 CB VAL A 53 -4.325 -7.917 1.329 1.00 0.00 C ATOM 912 CG1 VAL A 53 -4.174 -8.719 2.625 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.494 -8.500 0.518 1.00 0.00 C ATOM 0 H VAL A 53 -3.002 -6.728 3.059 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.200 -5.805 0.779 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.404 -7.996 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.018 -9.771 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.319 -8.344 3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.077 -8.613 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.313 -9.558 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.420 -8.386 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.579 -7.970 -0.431 1.00 0.00 H new ATOM 923 N GLU A 54 -6.587 -6.164 2.941 1.00 0.00 N ATOM 924 CA GLU A 54 -8.014 -5.789 3.105 1.00 0.00 C ATOM 925 C GLU A 54 -8.177 -4.296 2.827 1.00 0.00 C ATOM 926 O GLU A 54 -8.993 -3.889 2.025 1.00 0.00 O ATOM 927 CB GLU A 54 -8.367 -6.121 4.555 1.00 0.00 C ATOM 928 CG GLU A 54 -9.458 -7.193 4.583 1.00 0.00 C ATOM 929 CD GLU A 54 -8.816 -8.575 4.446 1.00 0.00 C ATOM 930 OE1 GLU A 54 -7.937 -8.878 5.234 1.00 0.00 O ATOM 931 OE2 GLU A 54 -9.215 -9.305 3.553 1.00 0.00 O ATOM 0 H GLU A 54 -6.119 -6.500 3.782 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.669 -6.322 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.482 -6.474 5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.710 -5.224 5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.020 -7.132 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.167 -7.027 3.772 1.00 0.00 H new ATOM 938 N ARG A 55 -7.395 -3.476 3.471 1.00 0.00 N ATOM 939 CA ARG A 55 -7.495 -2.017 3.226 1.00 0.00 C ATOM 940 C ARG A 55 -6.839 -1.680 1.886 1.00 0.00 C ATOM 941 O ARG A 55 -7.281 -0.809 1.171 1.00 0.00 O ATOM 942 CB ARG A 55 -6.747 -1.370 4.388 1.00 0.00 C ATOM 943 CG ARG A 55 -7.737 -1.053 5.511 1.00 0.00 C ATOM 944 CD ARG A 55 -7.655 0.435 5.848 1.00 0.00 C ATOM 945 NE ARG A 55 -6.234 0.650 6.241 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.844 0.506 7.486 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.674 0.101 8.416 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.600 0.746 7.799 1.00 0.00 N ATOM 0 H ARG A 55 -6.692 -3.756 4.155 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.524 -1.663 3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.968 -2.040 4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.253 -0.458 4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.750 -1.313 5.203 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.508 -1.651 6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.928 1.052 4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.335 0.697 6.659 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.552 0.914 5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.643 -0.109 8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.350 -0.004 9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.941 1.042 7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.287 0.637 8.764 1.00 0.00 H new ATOM 962 N ALA A 56 -5.809 -2.390 1.518 1.00 0.00 N ATOM 963 CA ALA A 56 -5.172 -2.127 0.206 1.00 0.00 C ATOM 964 C ALA A 56 -6.159 -2.572 -0.881 1.00 0.00 C ATOM 965 O ALA A 56 -6.143 -2.082 -1.996 1.00 0.00 O ATOM 966 CB ALA A 56 -3.879 -2.956 0.212 1.00 0.00 C ATOM 0 H ALA A 56 -5.385 -3.137 2.069 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.932 -1.081 0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.350 -2.813 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.244 -2.634 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.124 -4.011 0.334 1.00 0.00 H new ATOM 972 N ARG A 57 -7.056 -3.477 -0.545 1.00 0.00 N ATOM 973 CA ARG A 57 -8.067 -3.925 -1.533 1.00 0.00 C ATOM 974 C ARG A 57 -9.275 -2.978 -1.504 1.00 0.00 C ATOM 975 O ARG A 57 -10.018 -2.870 -2.459 1.00 0.00 O ATOM 976 CB ARG A 57 -8.476 -5.332 -1.093 1.00 0.00 C ATOM 977 CG ARG A 57 -9.581 -5.856 -2.012 1.00 0.00 C ATOM 978 CD ARG A 57 -9.779 -7.354 -1.769 1.00 0.00 C ATOM 979 NE ARG A 57 -11.241 -7.583 -1.958 1.00 0.00 N ATOM 980 CZ ARG A 57 -12.103 -7.214 -1.039 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.702 -6.644 0.070 1.00 0.00 N ATOM 982 NH2 ARG A 57 -13.378 -7.417 -1.233 1.00 0.00 N ATOM 0 H ARG A 57 -7.122 -3.917 0.373 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.677 -3.924 -2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.615 -5.999 -1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.826 -5.314 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.511 -5.320 -1.823 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.317 -5.678 -3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.192 -7.949 -2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.461 -7.637 -0.766 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.575 -8.031 -2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.708 -6.481 0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.384 -6.363 0.774 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.699 -7.860 -2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.053 -7.133 -0.523 1.00 0.00 H new ATOM 996 N TYR A 58 -9.455 -2.271 -0.417 1.00 0.00 N ATOM 997 CA TYR A 58 -10.581 -1.303 -0.314 1.00 0.00 C ATOM 998 C TYR A 58 -10.380 -0.272 -1.402 1.00 0.00 C ATOM 999 O TYR A 58 -11.253 0.048 -2.188 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.394 -0.680 1.083 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.845 0.773 1.134 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.047 1.157 0.528 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.059 1.730 1.795 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.465 2.492 0.582 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.478 3.065 1.846 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.681 3.445 1.242 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.095 4.761 1.295 1.00 0.00 O ATOM 0 H TYR A 58 -8.861 -2.326 0.411 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.576 -1.732 -0.430 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.958 -1.259 1.815 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.344 -0.742 1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.653 0.422 0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.131 1.437 2.264 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.393 2.787 0.114 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.872 3.802 2.352 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.375 5.344 0.975 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.201 0.237 -1.421 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.833 1.258 -2.414 1.00 0.00 C ATOM 1019 C TRP A 59 -8.985 0.690 -3.803 1.00 0.00 C ATOM 1020 O TRP A 59 -9.695 1.223 -4.631 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.401 1.604 -2.059 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.503 2.421 -0.830 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.112 2.063 0.408 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.122 3.711 -0.715 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.426 3.093 1.283 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.057 4.135 0.628 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.715 4.547 -1.659 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.576 5.367 1.023 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.243 5.785 -1.272 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.173 6.195 0.066 1.00 0.00 C ATOM 0 H TRP A 59 -8.455 -0.017 -0.774 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.461 2.149 -2.402 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.808 0.706 -1.889 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.917 2.158 -2.863 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.635 1.132 0.675 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.218 3.083 2.282 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.768 4.239 -2.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.518 5.679 2.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.706 6.426 -2.008 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.580 7.151 0.359 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.380 -0.428 -4.053 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.559 -1.067 -5.381 1.00 0.00 C ATOM 1043 C LEU A 60 -10.066 -1.237 -5.630 1.00 0.00 C ATOM 1044 O LEU A 60 -10.517 -1.342 -6.754 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.866 -2.425 -5.271 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.373 -2.262 -5.557 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.571 -3.139 -4.594 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.081 -2.687 -6.997 1.00 0.00 C ATOM 0 H LEU A 60 -7.773 -0.927 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.143 -0.485 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.013 -2.840 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.307 -3.128 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.088 -1.219 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.506 -3.023 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.779 -2.837 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.855 -4.183 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.017 -2.571 -7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.365 -3.730 -7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.653 -2.063 -7.684 1.00 0.00 H new ATOM 1060 N SER A 61 -10.848 -1.247 -4.570 1.00 0.00 N ATOM 1061 CA SER A 61 -12.319 -1.391 -4.722 1.00 0.00 C ATOM 1062 C SER A 61 -12.945 -0.059 -5.156 1.00 0.00 C ATOM 1063 O SER A 61 -14.016 -0.029 -5.727 1.00 0.00 O ATOM 1064 CB SER A 61 -12.825 -1.794 -3.338 1.00 0.00 C ATOM 1065 OG SER A 61 -13.574 -2.997 -3.445 1.00 0.00 O ATOM 0 H SER A 61 -10.520 -1.161 -3.608 1.00 0.00 H new ATOM 0 HA SER A 61 -12.582 -2.126 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.985 -1.934 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.446 -1.001 -2.920 1.00 0.00 H new ATOM 0 HG SER A 61 -13.899 -3.260 -2.559 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.290 1.048 -4.899 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.863 2.354 -5.310 1.00 0.00 C ATOM 1073 C VAL A 62 -12.218 2.812 -6.618 1.00 0.00 C ATOM 1074 O VAL A 62 -12.038 3.988 -6.863 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.551 3.338 -4.171 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.994 2.753 -2.829 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.048 3.643 -4.111 1.00 0.00 C ATOM 0 H VAL A 62 -11.388 1.097 -4.425 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.937 2.290 -5.482 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.096 4.261 -4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.767 3.460 -2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.067 2.563 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.464 1.818 -2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.851 4.341 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.496 2.719 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.729 4.085 -5.055 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.870 1.880 -7.452 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.231 2.235 -8.749 1.00 0.00 C ATOM 1089 C GLY A 63 -9.833 2.802 -8.489 1.00 0.00 C ATOM 1090 O GLY A 63 -9.306 3.561 -9.277 1.00 0.00 O ATOM 0 H GLY A 63 -12.000 0.881 -7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.165 1.354 -9.388 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.840 2.968 -9.278 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.227 2.438 -7.390 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.866 2.956 -7.088 1.00 0.00 C ATOM 1096 C ALA A 64 -6.864 2.400 -8.102 1.00 0.00 C ATOM 1097 O ALA A 64 -6.814 1.212 -8.350 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.551 2.447 -5.681 1.00 0.00 C ATOM 0 H ALA A 64 -9.617 1.805 -6.691 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.810 4.043 -7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.559 2.788 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.292 2.832 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.577 1.357 -5.674 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.072 3.248 -8.698 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.083 2.760 -9.704 1.00 0.00 C ATOM 1106 C GLN A 65 -3.679 2.675 -9.086 1.00 0.00 C ATOM 1107 O GLN A 65 -3.116 3.681 -8.701 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.106 3.807 -10.819 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.907 3.270 -12.005 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.022 4.358 -13.075 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -6.650 5.376 -12.858 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -5.438 4.185 -14.229 1.00 0.00 N ATOM 0 H GLN A 65 -6.065 4.255 -8.534 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.330 1.762 -10.066 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.552 4.732 -10.454 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.089 4.044 -11.131 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.418 2.388 -12.419 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.899 2.960 -11.677 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.911 3.331 -14.411 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.508 4.904 -14.949 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.150 1.476 -9.015 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.797 1.287 -8.446 1.00 0.00 C ATOM 1123 C PRO A 66 -0.735 1.574 -9.516 1.00 0.00 C ATOM 1124 O PRO A 66 -0.786 1.039 -10.606 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.779 -0.185 -8.061 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.778 -0.849 -8.960 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.747 0.204 -9.440 1.00 0.00 C ATOM 0 HA PRO A 66 -1.584 1.948 -7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.786 -0.613 -8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.045 -0.319 -7.013 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.276 -1.319 -9.806 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.307 -1.638 -8.425 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.870 0.166 -10.522 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.735 0.063 -9.001 1.00 0.00 H new ATOM 1135 N THR A 67 0.224 2.410 -9.225 1.00 0.00 N ATOM 1136 CA THR A 67 1.274 2.713 -10.242 1.00 0.00 C ATOM 1137 C THR A 67 1.941 1.416 -10.717 1.00 0.00 C ATOM 1138 O THR A 67 1.649 0.343 -10.226 1.00 0.00 O ATOM 1139 CB THR A 67 2.287 3.603 -9.520 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.385 3.861 -10.382 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.782 2.900 -8.255 1.00 0.00 C ATOM 0 H THR A 67 0.327 2.894 -8.333 1.00 0.00 H new ATOM 0 HA THR A 67 0.862 3.201 -11.125 1.00 0.00 H new ATOM 0 HB THR A 67 1.811 4.544 -9.244 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.035 4.433 -9.922 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.503 3.537 -7.743 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.938 2.704 -7.594 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.258 1.957 -8.525 1.00 0.00 H new ATOM 1149 N ASP A 68 2.839 1.506 -11.667 1.00 0.00 N ATOM 1150 CA ASP A 68 3.524 0.275 -12.173 1.00 0.00 C ATOM 1151 C ASP A 68 4.597 -0.191 -11.180 1.00 0.00 C ATOM 1152 O ASP A 68 5.750 -0.353 -11.525 1.00 0.00 O ATOM 1153 CB ASP A 68 4.165 0.696 -13.497 1.00 0.00 C ATOM 1154 CG ASP A 68 3.439 0.010 -14.656 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.222 0.083 -14.691 1.00 0.00 O ATOM 1156 OD2 ASP A 68 4.113 -0.576 -15.487 1.00 0.00 O ATOM 0 H ASP A 68 3.127 2.377 -12.114 1.00 0.00 H new ATOM 0 HA ASP A 68 2.831 -0.557 -12.299 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.112 1.779 -13.611 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.221 0.426 -13.504 1.00 0.00 H new ATOM 1161 N THR A 69 4.213 -0.410 -9.952 1.00 0.00 N ATOM 1162 CA THR A 69 5.176 -0.869 -8.909 1.00 0.00 C ATOM 1163 C THR A 69 4.380 -1.346 -7.702 1.00 0.00 C ATOM 1164 O THR A 69 4.438 -2.494 -7.310 1.00 0.00 O ATOM 1165 CB THR A 69 5.981 0.361 -8.525 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.408 1.054 -9.690 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.199 -0.046 -7.691 1.00 0.00 C ATOM 0 H THR A 69 3.256 -0.288 -9.621 1.00 0.00 H new ATOM 0 HA THR A 69 5.818 -1.678 -9.258 1.00 0.00 H new ATOM 0 HB THR A 69 5.346 1.020 -7.933 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.700 0.408 -10.367 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.769 0.843 -7.421 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.867 -0.553 -6.785 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.830 -0.719 -8.272 1.00 0.00 H new ATOM 1175 N ALA A 70 3.604 -0.463 -7.133 1.00 0.00 N ATOM 1176 CA ALA A 70 2.762 -0.844 -5.980 1.00 0.00 C ATOM 1177 C ALA A 70 1.722 -1.841 -6.467 1.00 0.00 C ATOM 1178 O ALA A 70 1.204 -2.638 -5.712 1.00 0.00 O ATOM 1179 CB ALA A 70 2.098 0.454 -5.517 1.00 0.00 C ATOM 0 H ALA A 70 3.522 0.511 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 70 3.322 -1.304 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.455 0.249 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.865 1.173 -5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.499 0.866 -6.329 1.00 0.00 H new ATOM 1185 N ARG A 71 1.435 -1.821 -7.744 1.00 0.00 N ATOM 1186 CA ARG A 71 0.465 -2.782 -8.286 1.00 0.00 C ATOM 1187 C ARG A 71 1.074 -4.163 -8.138 1.00 0.00 C ATOM 1188 O ARG A 71 0.424 -5.107 -7.735 1.00 0.00 O ATOM 1189 CB ARG A 71 0.293 -2.408 -9.765 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.474 -3.513 -10.499 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.085 -2.949 -11.783 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.034 -3.136 -12.826 1.00 0.00 N ATOM 1193 CZ ARG A 71 0.251 -4.331 -13.288 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -0.378 -5.393 -12.847 1.00 0.00 N ATOM 1195 NH2 ARG A 71 1.173 -4.464 -14.201 1.00 0.00 N ATOM 0 H ARG A 71 1.837 -1.176 -8.424 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.501 -2.769 -7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.244 -1.463 -9.850 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.269 -2.262 -10.228 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.197 -4.339 -10.736 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.258 -3.913 -9.857 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.002 -3.475 -12.048 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.344 -1.896 -11.668 1.00 0.00 H new ATOM 0 HE ARG A 71 0.469 -2.325 -13.184 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.101 -5.298 -12.134 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.144 -6.314 -13.217 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.667 -3.643 -14.551 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.400 -5.389 -14.565 1.00 0.00 H new ATOM 1209 N ARG A 72 2.339 -4.279 -8.440 1.00 0.00 N ATOM 1210 CA ARG A 72 2.997 -5.593 -8.301 1.00 0.00 C ATOM 1211 C ARG A 72 3.075 -5.968 -6.823 1.00 0.00 C ATOM 1212 O ARG A 72 2.823 -7.093 -6.439 1.00 0.00 O ATOM 1213 CB ARG A 72 4.392 -5.415 -8.896 1.00 0.00 C ATOM 1214 CG ARG A 72 4.582 -6.406 -10.042 1.00 0.00 C ATOM 1215 CD ARG A 72 6.017 -6.310 -10.566 1.00 0.00 C ATOM 1216 NE ARG A 72 5.915 -5.503 -11.816 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.962 -4.882 -12.305 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.128 -4.955 -11.714 1.00 0.00 N ATOM 1219 NH2 ARG A 72 6.840 -4.179 -13.400 1.00 0.00 N ATOM 0 H ARG A 72 2.935 -3.522 -8.774 1.00 0.00 H new ATOM 0 HA ARG A 72 2.454 -6.390 -8.808 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.518 -4.395 -9.258 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.150 -5.578 -8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.376 -7.420 -9.698 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.875 -6.191 -10.844 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.672 -5.831 -9.839 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.432 -7.298 -10.766 1.00 0.00 H new ATOM 0 HE ARG A 72 5.019 -5.433 -12.298 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.233 -5.501 -10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.931 -4.466 -12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.936 -4.116 -13.868 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.649 -3.693 -13.787 1.00 0.00 H new ATOM 1233 N LEU A 73 3.407 -5.023 -5.989 1.00 0.00 N ATOM 1234 CA LEU A 73 3.485 -5.302 -4.540 1.00 0.00 C ATOM 1235 C LEU A 73 2.080 -5.567 -4.023 1.00 0.00 C ATOM 1236 O LEU A 73 1.887 -6.279 -3.059 1.00 0.00 O ATOM 1237 CB LEU A 73 4.075 -4.040 -3.906 1.00 0.00 C ATOM 1238 CG LEU A 73 5.404 -3.687 -4.580 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.699 -2.202 -4.366 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.533 -4.523 -3.971 1.00 0.00 C ATOM 0 H LEU A 73 3.628 -4.064 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 73 4.098 -6.172 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.375 -3.211 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.230 -4.198 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 73 5.336 -3.899 -5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.644 -1.946 -4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.898 -1.605 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.765 -1.994 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.476 -4.268 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.604 -4.315 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.323 -5.582 -4.121 1.00 0.00 H new ATOM 1252 N LEU A 74 1.089 -5.026 -4.679 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.298 -5.290 -4.240 1.00 0.00 C ATOM 1254 C LEU A 74 -0.585 -6.764 -4.502 1.00 0.00 C ATOM 1255 O LEU A 74 -1.324 -7.408 -3.787 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.179 -4.386 -5.101 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.321 -3.022 -4.422 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.021 -2.049 -5.369 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.152 -3.170 -3.145 1.00 0.00 C ATOM 0 H LEU A 74 1.185 -4.418 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.475 -5.089 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.740 -4.268 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.160 -4.840 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.331 -2.639 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.121 -1.078 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.432 -1.941 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.010 -2.433 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.253 -2.198 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.140 -3.554 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.655 -3.863 -2.466 1.00 0.00 H new ATOM 1271 N ARG A 75 0.044 -7.312 -5.510 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.138 -8.755 -5.810 1.00 0.00 C ATOM 1273 C ARG A 75 0.665 -9.536 -4.788 1.00 0.00 C ATOM 1274 O ARG A 75 0.296 -10.611 -4.359 1.00 0.00 O ATOM 1275 CB ARG A 75 0.453 -8.991 -7.208 1.00 0.00 C ATOM 1276 CG ARG A 75 0.049 -7.865 -8.151 1.00 0.00 C ATOM 1277 CD ARG A 75 -0.287 -8.444 -9.528 1.00 0.00 C ATOM 1278 NE ARG A 75 0.981 -9.066 -10.010 1.00 0.00 N ATOM 1279 CZ ARG A 75 1.160 -9.320 -11.287 1.00 0.00 C ATOM 1280 NH1 ARG A 75 0.224 -9.055 -12.163 1.00 0.00 N ATOM 1281 NH2 ARG A 75 2.284 -9.849 -11.687 1.00 0.00 N ATOM 0 H ARG A 75 0.677 -6.816 -6.138 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.184 -9.061 -5.776 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.540 -9.050 -7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.104 -9.946 -7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.813 -7.332 -7.749 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.859 -7.141 -8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.087 -9.181 -9.461 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.628 -7.665 -10.210 1.00 0.00 H new ATOM 0 HE ARG A 75 1.716 -9.296 -9.342 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.659 -8.646 -11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.378 -9.258 -13.151 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.017 -10.063 -11.010 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.430 -10.049 -12.677 1.00 0.00 H new ATOM 1295 N GLN A 76 1.776 -8.980 -4.403 1.00 0.00 N ATOM 1296 CA GLN A 76 2.645 -9.642 -3.416 1.00 0.00 C ATOM 1297 C GLN A 76 2.057 -9.489 -2.025 1.00 0.00 C ATOM 1298 O GLN A 76 2.242 -10.316 -1.155 1.00 0.00 O ATOM 1299 CB GLN A 76 3.966 -8.908 -3.552 1.00 0.00 C ATOM 1300 CG GLN A 76 5.120 -9.830 -3.161 1.00 0.00 C ATOM 1301 CD GLN A 76 6.076 -9.961 -4.346 1.00 0.00 C ATOM 1302 OE1 GLN A 76 6.602 -11.024 -4.605 1.00 0.00 O ATOM 1303 NE2 GLN A 76 6.321 -8.913 -5.086 1.00 0.00 N ATOM 0 H GLN A 76 2.118 -8.080 -4.740 1.00 0.00 H new ATOM 0 HA GLN A 76 2.756 -10.714 -3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.096 -8.564 -4.578 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.966 -8.022 -2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.646 -9.428 -2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.738 -10.810 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.879 -8.020 -4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.955 -8.988 -5.882 1.00 0.00 H new ATOM 1312 N ALA A 77 1.333 -8.439 -1.827 1.00 0.00 N ATOM 1313 CA ALA A 77 0.694 -8.205 -0.511 1.00 0.00 C ATOM 1314 C ALA A 77 -0.431 -9.224 -0.276 1.00 0.00 C ATOM 1315 O ALA A 77 -0.999 -9.295 0.795 1.00 0.00 O ATOM 1316 CB ALA A 77 0.121 -6.794 -0.605 1.00 0.00 C ATOM 0 H ALA A 77 1.152 -7.720 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 77 1.396 -8.312 0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.373 -6.539 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.927 -6.086 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.602 -6.748 -1.420 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.761 -10.010 -1.271 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.850 -11.013 -1.103 1.00 0.00 C ATOM 1324 C GLY A 78 -3.178 -10.420 -1.586 1.00 0.00 C ATOM 1325 O GLY A 78 -4.240 -10.891 -1.229 1.00 0.00 O ATOM 0 H GLY A 78 -0.321 -9.998 -2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.617 -11.915 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.930 -11.305 -0.056 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.133 -9.387 -2.388 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.398 -8.770 -2.876 1.00 0.00 C ATOM 1331 C VAL A 79 -4.895 -9.478 -4.143 1.00 0.00 C ATOM 1332 O VAL A 79 -5.948 -10.083 -4.149 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.065 -7.309 -3.175 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.362 -6.532 -3.406 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.314 -6.689 -1.990 1.00 0.00 C ATOM 0 H VAL A 79 -2.276 -8.947 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.192 -8.856 -2.134 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.437 -7.261 -4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.128 -5.489 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.899 -6.964 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.984 -6.589 -2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.081 -5.648 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.938 -6.739 -1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.389 -7.239 -1.817 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.153 -9.406 -5.219 1.00 0.00 N ATOM 1346 CA PHE A 80 -4.605 -10.076 -6.476 1.00 0.00 C ATOM 1347 C PHE A 80 -3.409 -10.545 -7.312 1.00 0.00 C ATOM 1348 O PHE A 80 -2.387 -9.893 -7.375 1.00 0.00 O ATOM 1349 CB PHE A 80 -5.394 -9.008 -7.234 1.00 0.00 C ATOM 1350 CG PHE A 80 -4.505 -7.818 -7.517 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -3.655 -7.818 -8.633 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -4.534 -6.708 -6.666 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -2.840 -6.710 -8.892 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -3.719 -5.602 -6.925 1.00 0.00 C ATOM 1355 CZ PHE A 80 -2.872 -5.603 -8.037 1.00 0.00 C ATOM 0 H PHE A 80 -3.260 -8.916 -5.282 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.203 -10.963 -6.265 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.775 -9.419 -8.169 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -6.258 -8.696 -6.647 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.629 -8.673 -9.292 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.188 -6.705 -5.806 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.186 -6.710 -9.752 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.744 -4.747 -6.266 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.242 -4.749 -8.236 1.00 0.00 H new ATOM 1365 N ARG A 81 -3.539 -11.671 -7.963 1.00 0.00 N ATOM 1366 CA ARG A 81 -2.422 -12.185 -8.808 1.00 0.00 C ATOM 1367 C ARG A 81 -2.869 -12.272 -10.269 1.00 0.00 C ATOM 1368 O ARG A 81 -3.978 -11.908 -10.611 1.00 0.00 O ATOM 1369 CB ARG A 81 -2.118 -13.580 -8.259 1.00 0.00 C ATOM 1370 CG ARG A 81 -1.278 -13.458 -6.987 1.00 0.00 C ATOM 1371 CD ARG A 81 -1.788 -14.451 -5.941 1.00 0.00 C ATOM 1372 NE ARG A 81 -0.771 -15.543 -5.919 1.00 0.00 N ATOM 1373 CZ ARG A 81 0.429 -15.335 -5.426 1.00 0.00 C ATOM 1374 NH1 ARG A 81 0.765 -14.164 -4.945 1.00 0.00 N ATOM 1375 NH2 ARG A 81 1.298 -16.310 -5.417 1.00 0.00 N ATOM 0 H ARG A 81 -4.373 -12.258 -7.946 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.547 -11.536 -8.777 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.047 -14.108 -8.044 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.583 -14.167 -9.005 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.230 -13.656 -7.211 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.335 -12.442 -6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.883 -13.980 -4.963 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.773 -14.834 -6.207 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.010 -16.462 -6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.091 -13.398 -4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.700 -14.018 -4.566 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.043 -17.224 -5.791 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.232 -16.157 -5.036 1.00 0.00 H new ATOM 1389 N GLN A 82 -2.019 -12.752 -11.136 1.00 0.00 N ATOM 1390 CA GLN A 82 -2.401 -12.862 -12.573 1.00 0.00 C ATOM 1391 C GLN A 82 -1.971 -14.220 -13.134 1.00 0.00 C ATOM 1392 O GLN A 82 -1.124 -14.306 -14.001 1.00 0.00 O ATOM 1393 CB GLN A 82 -1.647 -11.730 -13.273 1.00 0.00 C ATOM 1394 CG GLN A 82 -1.928 -11.782 -14.776 1.00 0.00 C ATOM 1395 CD GLN A 82 -1.717 -10.394 -15.385 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -2.359 -9.441 -14.992 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -0.834 -10.238 -16.333 1.00 0.00 N ATOM 0 H GLN A 82 -1.077 -13.073 -10.911 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.478 -12.785 -12.719 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.957 -10.767 -12.867 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.577 -11.823 -13.089 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.268 -12.505 -15.255 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.950 -12.117 -14.954 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.294 -11.038 -16.664 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.684 -9.316 -16.743 1.00 0.00 H new ATOM 1406 N GLU A 83 -2.549 -15.284 -12.645 1.00 0.00 N ATOM 1407 CA GLU A 83 -2.174 -16.637 -13.150 1.00 0.00 C ATOM 1408 C GLU A 83 -2.622 -16.803 -14.606 1.00 0.00 C ATOM 1409 O GLU A 83 -3.767 -16.571 -14.942 1.00 0.00 O ATOM 1410 CB GLU A 83 -2.920 -17.618 -12.242 1.00 0.00 C ATOM 1411 CG GLU A 83 -4.428 -17.419 -12.401 1.00 0.00 C ATOM 1412 CD GLU A 83 -4.984 -18.474 -13.359 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -4.229 -18.942 -14.196 1.00 0.00 O ATOM 1414 OE2 GLU A 83 -6.155 -18.795 -13.240 1.00 0.00 O ATOM 0 H GLU A 83 -3.264 -15.275 -11.918 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.097 -16.802 -13.131 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.649 -18.643 -12.497 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.630 -17.460 -11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.920 -17.497 -11.432 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.635 -16.420 -12.784 1.00 0.00 H new ATOM 1421 N ALA A 84 -1.730 -17.202 -15.470 1.00 0.00 N ATOM 1422 CA ALA A 84 -2.108 -17.383 -16.902 1.00 0.00 C ATOM 1423 C ALA A 84 -1.907 -18.840 -17.328 1.00 0.00 C ATOM 1424 O ALA A 84 -2.547 -19.323 -18.241 1.00 0.00 O ATOM 1425 CB ALA A 84 -1.166 -16.465 -17.680 1.00 0.00 C ATOM 0 H ALA A 84 -0.757 -17.411 -15.248 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.156 -17.143 -17.082 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.381 -16.541 -18.746 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.310 -15.435 -17.354 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.134 -16.763 -17.496 1.00 0.00 H new ATOM 1431 N ARG A 85 -1.021 -19.543 -16.676 1.00 0.00 N ATOM 1432 CA ARG A 85 -0.776 -20.968 -17.047 1.00 0.00 C ATOM 1433 C ARG A 85 -2.046 -21.800 -16.838 1.00 0.00 C ATOM 1434 O ARG A 85 -2.582 -22.375 -17.766 1.00 0.00 O ATOM 1435 CB ARG A 85 0.333 -21.437 -16.106 1.00 0.00 C ATOM 1436 CG ARG A 85 1.623 -21.645 -16.902 1.00 0.00 C ATOM 1437 CD ARG A 85 2.478 -22.713 -16.216 1.00 0.00 C ATOM 1438 NE ARG A 85 3.889 -22.310 -16.489 1.00 0.00 N ATOM 1439 CZ ARG A 85 4.886 -23.114 -16.202 1.00 0.00 C ATOM 1440 NH1 ARG A 85 4.672 -24.286 -15.659 1.00 0.00 N ATOM 1441 NH2 ARG A 85 6.109 -22.739 -16.461 1.00 0.00 N ATOM 0 H ARG A 85 -0.456 -19.193 -15.902 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.496 -21.078 -18.095 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.493 -20.700 -15.319 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.041 -22.366 -15.617 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.389 -21.951 -17.922 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.177 -20.708 -16.969 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.278 -22.751 -15.145 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.266 -23.705 -16.615 1.00 0.00 H new ATOM 0 HE ARG A 85 4.081 -21.398 -16.904 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.719 -24.586 -15.453 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.458 -24.899 -15.442 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.284 -21.827 -16.883 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.890 -23.358 -16.241 1.00 0.00 H new ATOM 1455 N GLU A 86 -2.530 -21.869 -15.629 1.00 0.00 N ATOM 1456 CA GLU A 86 -3.762 -22.667 -15.362 1.00 0.00 C ATOM 1457 C GLU A 86 -4.885 -22.249 -16.317 1.00 0.00 C ATOM 1458 O GLU A 86 -5.130 -21.078 -16.528 1.00 0.00 O ATOM 1459 CB GLU A 86 -4.139 -22.341 -13.917 1.00 0.00 C ATOM 1460 CG GLU A 86 -4.909 -23.517 -13.312 1.00 0.00 C ATOM 1461 CD GLU A 86 -5.203 -23.234 -11.837 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -5.084 -22.086 -11.437 1.00 0.00 O ATOM 1463 OE2 GLU A 86 -5.539 -24.169 -11.131 1.00 0.00 O ATOM 0 H GLU A 86 -2.127 -21.408 -14.814 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.601 -23.735 -15.512 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.241 -22.141 -13.332 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.749 -21.438 -13.884 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.841 -23.673 -13.856 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.327 -24.434 -13.408 1.00 0.00 H new ATOM 1470 N GLY A 87 -5.568 -23.201 -16.894 1.00 0.00 N ATOM 1471 CA GLY A 87 -6.673 -22.859 -17.834 1.00 0.00 C ATOM 1472 C GLY A 87 -6.268 -23.234 -19.260 1.00 0.00 C ATOM 1473 O GLY A 87 -5.641 -24.249 -19.490 1.00 0.00 O ATOM 0 H GLY A 87 -5.409 -24.199 -16.755 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.582 -23.391 -17.552 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.896 -21.794 -17.777 1.00 0.00 H new ATOM 1477 N ALA A 88 -6.619 -22.425 -20.220 1.00 0.00 N ATOM 1478 CA ALA A 88 -6.252 -22.738 -21.631 1.00 0.00 C ATOM 1479 C ALA A 88 -4.937 -22.047 -21.999 1.00 0.00 C ATOM 1480 O ALA A 88 -3.997 -22.747 -22.338 1.00 0.00 O ATOM 1481 CB ALA A 88 -7.403 -22.186 -22.472 1.00 0.00 C ATOM 1482 OXT ALA A 88 -4.892 -20.830 -21.933 1.00 0.00 O ATOM 0 H ALA A 88 -7.144 -21.560 -20.090 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.106 -23.806 -21.794 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.207 -22.378 -23.527 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.333 -22.674 -22.181 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.491 -21.112 -22.308 1.00 0.00 H new TER 1488 ALA A 88