USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 562 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 49 SER OG : rot -117:sc= -1.68! USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ILE N :NH3+ 177:sc= -0.398 (180deg=-0.429) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.116 K(o=-0.12,f=-6.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -56:sc= 1.17 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.0653 (180deg=-0.31) USER MOD Single : A 52 SER OG : rot 80:sc= 0.516 USER MOD Single : A 54 GLN : amide:sc=-0.00486 X(o=-0.0049,f=-0.28) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= -0.0595 (180deg=-0.386) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 12.130 9.535 -6.820 1.00 0.00 N ATOM 2 CA ILE A 1 11.949 8.150 -6.312 1.00 0.00 C ATOM 3 C ILE A 1 10.556 7.957 -5.722 1.00 0.00 C ATOM 4 O ILE A 1 9.817 8.922 -5.522 1.00 0.00 O ATOM 5 CB ILE A 1 13.001 7.806 -5.240 1.00 0.00 C ATOM 6 CG1 ILE A 1 12.985 8.854 -4.123 1.00 0.00 C ATOM 7 CG2 ILE A 1 14.383 7.711 -5.872 1.00 0.00 C ATOM 8 CD1 ILE A 1 13.904 8.524 -2.965 1.00 0.00 C ATOM 0 H1 ILE A 1 13.103 9.652 -7.169 1.00 0.00 H new ATOM 0 H2 ILE A 1 11.460 9.711 -7.596 1.00 0.00 H new ATOM 0 H3 ILE A 1 11.954 10.213 -6.051 1.00 0.00 H new ATOM 0 HA ILE A 1 12.074 7.481 -7.163 1.00 0.00 H new ATOM 0 HB ILE A 1 12.755 6.838 -4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 1 13.272 9.820 -4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 1 11.967 8.958 -3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 1 15.118 7.467 -5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 1 14.382 6.931 -6.634 1.00 0.00 H new ATOM 0 HG23 ILE A 1 14.640 8.666 -6.330 1.00 0.00 H new ATOM 0 HD11 ILE A 1 13.839 9.311 -2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 1 13.605 7.574 -2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 1 14.930 8.449 -3.325 1.00 0.00 H new ATOM 22 N PHE A 2 10.204 6.705 -5.447 1.00 0.00 N ATOM 23 CA PHE A 2 8.898 6.381 -4.884 1.00 0.00 C ATOM 24 C PHE A 2 8.912 6.508 -3.364 1.00 0.00 C ATOM 25 O PHE A 2 9.970 6.669 -2.755 1.00 0.00 O ATOM 26 CB PHE A 2 8.487 4.966 -5.292 1.00 0.00 C ATOM 27 CG PHE A 2 8.600 4.716 -6.769 1.00 0.00 C ATOM 28 CD1 PHE A 2 7.597 5.126 -7.635 1.00 0.00 C ATOM 29 CD2 PHE A 2 9.710 4.073 -7.293 1.00 0.00 C ATOM 30 CE1 PHE A 2 7.702 4.901 -8.995 1.00 0.00 C ATOM 31 CE2 PHE A 2 9.820 3.845 -8.652 1.00 0.00 C ATOM 32 CZ PHE A 2 8.814 4.259 -9.503 1.00 0.00 C ATOM 0 H PHE A 2 10.806 5.897 -5.605 1.00 0.00 H new ATOM 0 HA PHE A 2 8.170 7.091 -5.277 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.110 4.247 -4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 2 7.458 4.790 -4.979 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.724 5.627 -7.242 1.00 0.00 H new ATOM 0 HD2 PHE A 2 10.499 3.746 -6.632 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.915 5.227 -9.659 1.00 0.00 H new ATOM 0 HE2 PHE A 2 10.691 3.344 -9.048 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.897 4.081 -10.565 1.00 0.00 H new ATOM 42 N ASP A 3 7.730 6.430 -2.756 1.00 0.00 N ATOM 43 CA ASP A 3 7.607 6.545 -1.306 1.00 0.00 C ATOM 44 C ASP A 3 6.942 5.309 -0.706 1.00 0.00 C ATOM 45 O ASP A 3 5.746 5.089 -0.886 1.00 0.00 O ATOM 46 CB ASP A 3 6.800 7.792 -0.941 1.00 0.00 C ATOM 47 CG ASP A 3 7.432 9.064 -1.473 1.00 0.00 C ATOM 48 OD1 ASP A 3 7.131 9.439 -2.626 1.00 0.00 O ATOM 49 OD2 ASP A 3 8.226 9.687 -0.737 1.00 0.00 O ATOM 0 H ASP A 3 6.846 6.288 -3.245 1.00 0.00 H new ATOM 0 HA ASP A 3 8.612 6.629 -0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.790 7.697 -1.339 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.711 7.860 0.143 1.00 0.00 H new ATOM 54 N ILE A 4 7.724 4.512 0.015 1.00 0.00 N ATOM 55 CA ILE A 4 7.210 3.306 0.650 1.00 0.00 C ATOM 56 C ILE A 4 6.587 3.627 2.004 1.00 0.00 C ATOM 57 O ILE A 4 7.272 4.062 2.930 1.00 0.00 O ATOM 58 CB ILE A 4 8.325 2.260 0.847 1.00 0.00 C ATOM 59 CG1 ILE A 4 9.101 2.057 -0.457 1.00 0.00 C ATOM 60 CG2 ILE A 4 7.732 0.946 1.329 1.00 0.00 C ATOM 61 CD1 ILE A 4 10.317 1.166 -0.309 1.00 0.00 C ATOM 0 H ILE A 4 8.717 4.681 0.174 1.00 0.00 H new ATOM 0 HA ILE A 4 6.448 2.895 -0.012 1.00 0.00 H new ATOM 0 HB ILE A 4 9.019 2.624 1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.434 1.625 -1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.417 3.029 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.529 0.215 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.220 1.104 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.021 0.575 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.816 1.068 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 4 11.005 1.606 0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 4 10.006 0.181 0.040 1.00 0.00 H new ATOM 73 N TYR A 5 5.280 3.409 2.109 1.00 0.00 N ATOM 74 CA TYR A 5 4.550 3.673 3.343 1.00 0.00 C ATOM 75 C TYR A 5 4.437 2.407 4.186 1.00 0.00 C ATOM 76 O TYR A 5 4.266 1.309 3.655 1.00 0.00 O ATOM 77 CB TYR A 5 3.150 4.206 3.029 1.00 0.00 C ATOM 78 CG TYR A 5 3.145 5.583 2.404 1.00 0.00 C ATOM 79 CD1 TYR A 5 3.542 5.772 1.087 1.00 0.00 C ATOM 80 CD2 TYR A 5 2.739 6.694 3.132 1.00 0.00 C ATOM 81 CE1 TYR A 5 3.536 7.029 0.513 1.00 0.00 C ATOM 82 CE2 TYR A 5 2.730 7.955 2.566 1.00 0.00 C ATOM 83 CZ TYR A 5 3.130 8.117 1.256 1.00 0.00 C ATOM 84 OH TYR A 5 3.122 9.371 0.689 1.00 0.00 O ATOM 0 H TYR A 5 4.702 3.048 1.350 1.00 0.00 H new ATOM 0 HA TYR A 5 5.103 4.424 3.908 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.650 3.510 2.356 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.567 4.233 3.950 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.861 4.922 0.501 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.425 6.570 4.158 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.848 7.158 -0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.412 8.808 3.146 1.00 0.00 H new ATOM 0 HH TYR A 5 2.808 10.026 1.347 1.00 0.00 H new ATOM 94 N VAL A 6 4.533 2.567 5.501 1.00 0.00 N ATOM 95 CA VAL A 6 4.438 1.437 6.416 1.00 0.00 C ATOM 96 C VAL A 6 3.058 1.378 7.065 1.00 0.00 C ATOM 97 O VAL A 6 2.524 2.396 7.506 1.00 0.00 O ATOM 98 CB VAL A 6 5.519 1.508 7.515 1.00 0.00 C ATOM 99 CG1 VAL A 6 5.420 2.814 8.288 1.00 0.00 C ATOM 100 CG2 VAL A 6 5.412 0.315 8.453 1.00 0.00 C ATOM 0 H VAL A 6 4.677 3.468 5.957 1.00 0.00 H new ATOM 0 HA VAL A 6 4.598 0.533 5.828 1.00 0.00 H new ATOM 0 HB VAL A 6 6.496 1.475 7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.192 2.841 9.057 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.558 3.652 7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.438 2.886 8.756 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.183 0.385 9.220 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.430 0.311 8.925 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.546 -0.606 7.886 1.00 0.00 H new ATOM 110 N VAL A 7 2.483 0.181 7.115 1.00 0.00 N ATOM 111 CA VAL A 7 1.164 -0.007 7.707 1.00 0.00 C ATOM 112 C VAL A 7 1.277 -0.411 9.174 1.00 0.00 C ATOM 113 O VAL A 7 1.815 -1.469 9.497 1.00 0.00 O ATOM 114 CB VAL A 7 0.352 -1.077 6.952 1.00 0.00 C ATOM 115 CG1 VAL A 7 -1.064 -1.161 7.503 1.00 0.00 C ATOM 116 CG2 VAL A 7 0.335 -0.780 5.461 1.00 0.00 C ATOM 0 H VAL A 7 2.909 -0.672 6.753 1.00 0.00 H new ATOM 0 HA VAL A 7 0.644 0.948 7.632 1.00 0.00 H new ATOM 0 HB VAL A 7 0.833 -2.044 7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.622 -1.922 6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.028 -1.425 8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.557 -0.196 7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.243 -1.546 4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.120 0.195 5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.356 -0.776 5.079 1.00 0.00 H new ATOM 126 N THR A 8 0.767 0.440 10.058 1.00 0.00 N ATOM 127 CA THR A 8 0.808 0.173 11.490 1.00 0.00 C ATOM 128 C THR A 8 -0.597 0.136 12.079 1.00 0.00 C ATOM 129 O THR A 8 -0.772 0.102 13.297 1.00 0.00 O ATOM 130 CB THR A 8 1.639 1.234 12.235 1.00 0.00 C ATOM 131 OG1 THR A 8 1.057 2.531 12.049 1.00 0.00 O ATOM 132 CG2 THR A 8 3.076 1.242 11.735 1.00 0.00 C ATOM 0 H THR A 8 0.320 1.322 9.807 1.00 0.00 H new ATOM 0 HA THR A 8 1.280 -0.801 11.619 1.00 0.00 H new ATOM 0 HB THR A 8 1.640 0.985 13.296 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.590 3.200 12.527 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.645 1.999 12.275 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.525 0.263 11.902 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.089 1.470 10.669 1.00 0.00 H new ATOM 140 N ALA A 9 -1.597 0.138 11.203 1.00 0.00 N ATOM 141 CA ALA A 9 -2.992 0.109 11.630 1.00 0.00 C ATOM 142 C ALA A 9 -3.683 -1.170 11.168 1.00 0.00 C ATOM 143 O ALA A 9 -4.910 -1.220 11.075 1.00 0.00 O ATOM 144 CB ALA A 9 -3.727 1.329 11.100 1.00 0.00 C ATOM 0 H ALA A 9 -1.467 0.159 10.192 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.014 0.127 12.720 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.767 1.297 11.425 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.255 2.233 11.484 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.687 1.333 10.011 1.00 0.00 H new ATOM 150 N ASP A 10 -2.885 -2.199 10.886 1.00 0.00 N ATOM 151 CA ASP A 10 -3.408 -3.487 10.432 1.00 0.00 C ATOM 152 C ASP A 10 -4.107 -3.354 9.079 1.00 0.00 C ATOM 153 O ASP A 10 -3.530 -3.677 8.040 1.00 0.00 O ATOM 154 CB ASP A 10 -4.371 -4.070 11.471 1.00 0.00 C ATOM 155 CG ASP A 10 -3.705 -4.301 12.813 1.00 0.00 C ATOM 156 OD1 ASP A 10 -3.713 -3.373 13.649 1.00 0.00 O ATOM 157 OD2 ASP A 10 -3.174 -5.411 13.029 1.00 0.00 O ATOM 0 H ASP A 10 -1.869 -2.165 10.965 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.565 -4.167 10.312 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.215 -3.393 11.600 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.772 -5.013 11.101 1.00 0.00 H new ATOM 162 N TYR A 11 -5.353 -2.882 9.101 1.00 0.00 N ATOM 163 CA TYR A 11 -6.136 -2.699 7.880 1.00 0.00 C ATOM 164 C TYR A 11 -6.356 -4.027 7.160 1.00 0.00 C ATOM 165 O TYR A 11 -5.616 -4.376 6.240 1.00 0.00 O ATOM 166 CB TYR A 11 -5.439 -1.705 6.944 1.00 0.00 C ATOM 167 CG TYR A 11 -6.304 -1.232 5.797 1.00 0.00 C ATOM 168 CD1 TYR A 11 -7.128 -0.122 5.938 1.00 0.00 C ATOM 169 CD2 TYR A 11 -6.292 -1.889 4.574 1.00 0.00 C ATOM 170 CE1 TYR A 11 -7.918 0.317 4.892 1.00 0.00 C ATOM 171 CE2 TYR A 11 -7.079 -1.455 3.522 1.00 0.00 C ATOM 172 CZ TYR A 11 -7.889 -0.352 3.687 1.00 0.00 C ATOM 173 OH TYR A 11 -8.672 0.084 2.642 1.00 0.00 O ATOM 0 H TYR A 11 -5.844 -2.618 9.956 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.110 -2.300 8.164 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.117 -0.840 7.524 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.540 -2.171 6.540 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -7.152 0.406 6.880 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.658 -2.753 4.442 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.555 1.180 5.018 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.059 -1.977 2.577 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.533 -0.497 1.865 1.00 0.00 H new ATOM 183 N LEU A 12 -7.372 -4.771 7.593 1.00 0.00 N ATOM 184 CA LEU A 12 -7.692 -6.060 6.986 1.00 0.00 C ATOM 185 C LEU A 12 -9.087 -6.042 6.359 1.00 0.00 C ATOM 186 O LEU A 12 -10.088 -6.021 7.075 1.00 0.00 O ATOM 187 CB LEU A 12 -7.614 -7.180 8.026 1.00 0.00 C ATOM 188 CG LEU A 12 -6.201 -7.616 8.413 1.00 0.00 C ATOM 189 CD1 LEU A 12 -5.533 -6.562 9.279 1.00 0.00 C ATOM 190 CD2 LEU A 12 -6.237 -8.956 9.132 1.00 0.00 C ATOM 0 H LEU A 12 -7.987 -4.503 8.361 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.958 -6.246 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.135 -6.854 8.926 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.152 -8.047 7.643 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.614 -7.729 7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.528 -6.892 9.544 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.474 -5.623 8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.117 -6.414 10.187 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.223 -9.252 9.401 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.841 -8.868 10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.673 -9.709 8.476 1.00 0.00 H new ATOM 202 N PRO A 13 -9.176 -6.047 5.014 1.00 0.00 N ATOM 203 CA PRO A 13 -10.467 -6.044 4.316 1.00 0.00 C ATOM 204 C PRO A 13 -11.325 -7.242 4.695 1.00 0.00 C ATOM 205 O PRO A 13 -10.855 -8.380 4.688 1.00 0.00 O ATOM 206 CB PRO A 13 -10.078 -6.123 2.836 1.00 0.00 C ATOM 207 CG PRO A 13 -8.681 -5.613 2.779 1.00 0.00 C ATOM 208 CD PRO A 13 -8.042 -6.035 4.072 1.00 0.00 C ATOM 0 HA PRO A 13 -11.062 -5.166 4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.140 -7.146 2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.744 -5.519 2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.147 -6.028 1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.664 -4.529 2.669 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.575 -7.017 3.990 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.265 -5.338 4.385 1.00 0.00 H new ATOM 216 N LEU A 14 -12.585 -6.984 5.028 1.00 0.00 N ATOM 217 CA LEU A 14 -13.502 -8.050 5.408 1.00 0.00 C ATOM 218 C LEU A 14 -14.249 -8.581 4.189 1.00 0.00 C ATOM 219 O LEU A 14 -15.258 -8.016 3.771 1.00 0.00 O ATOM 220 CB LEU A 14 -14.497 -7.549 6.457 1.00 0.00 C ATOM 221 CG LEU A 14 -13.877 -7.141 7.796 1.00 0.00 C ATOM 222 CD1 LEU A 14 -14.922 -6.504 8.698 1.00 0.00 C ATOM 223 CD2 LEU A 14 -13.245 -8.346 8.479 1.00 0.00 C ATOM 0 H LEU A 14 -12.993 -6.049 5.042 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.918 -8.864 5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.034 -6.694 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.234 -8.331 6.639 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.097 -6.405 7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.462 -6.221 9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.329 -5.617 8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.725 -7.217 8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.809 -8.038 9.429 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.007 -9.104 8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.465 -8.760 7.839 1.00 0.00 H new ATOM 235 N GLY A 15 -13.737 -9.670 3.623 1.00 0.00 N ATOM 236 CA GLY A 15 -14.365 -10.268 2.460 1.00 0.00 C ATOM 237 C GLY A 15 -13.572 -10.028 1.191 1.00 0.00 C ATOM 238 O GLY A 15 -12.402 -9.646 1.246 1.00 0.00 O ATOM 0 H GLY A 15 -12.898 -10.149 3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.474 -11.341 2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.369 -9.860 2.341 1.00 0.00 H new ATOM 242 N ALA A 16 -14.208 -10.251 0.046 1.00 0.00 N ATOM 243 CA ALA A 16 -13.553 -10.053 -1.240 1.00 0.00 C ATOM 244 C ALA A 16 -14.011 -8.752 -1.891 1.00 0.00 C ATOM 245 O ALA A 16 -15.087 -8.689 -2.485 1.00 0.00 O ATOM 246 CB ALA A 16 -13.830 -11.233 -2.161 1.00 0.00 C ATOM 0 H ALA A 16 -15.175 -10.569 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.479 -9.986 -1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.334 -11.072 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.450 -12.147 -1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.904 -11.326 -2.320 1.00 0.00 H new ATOM 252 N GLU A 17 -13.187 -7.714 -1.772 1.00 0.00 N ATOM 253 CA GLU A 17 -13.507 -6.414 -2.349 1.00 0.00 C ATOM 254 C GLU A 17 -12.760 -6.202 -3.663 1.00 0.00 C ATOM 255 O GLU A 17 -11.583 -6.545 -3.781 1.00 0.00 O ATOM 256 CB GLU A 17 -13.164 -5.291 -1.367 1.00 0.00 C ATOM 257 CG GLU A 17 -14.064 -5.250 -0.143 1.00 0.00 C ATOM 258 CD GLU A 17 -13.929 -6.481 0.730 1.00 0.00 C ATOM 259 OE1 GLU A 17 -12.966 -6.545 1.522 1.00 0.00 O ATOM 260 OE2 GLU A 17 -14.786 -7.384 0.620 1.00 0.00 O ATOM 0 H GLU A 17 -12.294 -7.749 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.578 -6.392 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.130 -5.408 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.229 -4.335 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.826 -4.365 0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.101 -5.150 -0.464 1.00 0.00 H new ATOM 267 N GLN A 18 -13.452 -5.636 -4.646 1.00 0.00 N ATOM 268 CA GLN A 18 -12.857 -5.379 -5.952 1.00 0.00 C ATOM 269 C GLN A 18 -11.870 -4.216 -5.881 1.00 0.00 C ATOM 270 O GLN A 18 -12.095 -3.245 -5.160 1.00 0.00 O ATOM 271 CB GLN A 18 -13.948 -5.076 -6.982 1.00 0.00 C ATOM 272 CG GLN A 18 -15.010 -6.159 -7.081 1.00 0.00 C ATOM 273 CD GLN A 18 -16.091 -5.824 -8.089 1.00 0.00 C ATOM 274 OE1 GLN A 18 -16.392 -4.655 -8.332 1.00 0.00 O ATOM 275 NE2 GLN A 18 -16.686 -6.853 -8.683 1.00 0.00 N ATOM 0 H GLN A 18 -14.426 -5.346 -4.563 1.00 0.00 H new ATOM 0 HA GLN A 18 -12.315 -6.273 -6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.427 -4.132 -6.724 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.486 -4.942 -7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.538 -7.101 -7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.465 -6.307 -6.102 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.406 -7.806 -8.453 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.423 -6.689 -9.369 1.00 0.00 H new ATOM 284 N ASP A 19 -10.778 -4.326 -6.635 1.00 0.00 N ATOM 285 CA ASP A 19 -9.751 -3.286 -6.663 1.00 0.00 C ATOM 286 C ASP A 19 -9.190 -3.027 -5.267 1.00 0.00 C ATOM 287 O ASP A 19 -8.646 -1.956 -4.996 1.00 0.00 O ATOM 288 CB ASP A 19 -10.320 -1.992 -7.247 1.00 0.00 C ATOM 289 CG ASP A 19 -10.755 -2.150 -8.692 1.00 0.00 C ATOM 290 OD1 ASP A 19 -9.917 -1.932 -9.591 1.00 0.00 O ATOM 291 OD2 ASP A 19 -11.933 -2.495 -8.923 1.00 0.00 O ATOM 0 H ASP A 19 -10.581 -5.126 -7.236 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.937 -3.636 -7.298 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.171 -1.670 -6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.568 -1.206 -7.181 1.00 0.00 H new ATOM 296 N ALA A 20 -9.317 -4.015 -4.387 1.00 0.00 N ATOM 297 CA ALA A 20 -8.822 -3.891 -3.021 1.00 0.00 C ATOM 298 C ALA A 20 -7.763 -4.946 -2.721 1.00 0.00 C ATOM 299 O ALA A 20 -7.910 -6.111 -3.095 1.00 0.00 O ATOM 300 CB ALA A 20 -9.971 -3.997 -2.030 1.00 0.00 C ATOM 0 H ALA A 20 -9.759 -4.910 -4.596 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.358 -2.910 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.586 -3.903 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.690 -3.201 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.461 -4.964 -2.144 1.00 0.00 H new ATOM 306 N ILE A 21 -6.697 -4.531 -2.044 1.00 0.00 N ATOM 307 CA ILE A 21 -5.610 -5.438 -1.693 1.00 0.00 C ATOM 308 C ILE A 21 -5.510 -5.619 -0.182 1.00 0.00 C ATOM 309 O ILE A 21 -5.643 -4.659 0.579 1.00 0.00 O ATOM 310 CB ILE A 21 -4.257 -4.927 -2.232 1.00 0.00 C ATOM 311 CG1 ILE A 21 -3.125 -5.878 -1.827 1.00 0.00 C ATOM 312 CG2 ILE A 21 -3.984 -3.518 -1.725 1.00 0.00 C ATOM 313 CD1 ILE A 21 -1.780 -5.511 -2.418 1.00 0.00 C ATOM 0 H ILE A 21 -6.563 -3.571 -1.727 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.837 -6.399 -2.155 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.304 -4.897 -3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.043 -5.889 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.384 -6.890 -2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.026 -3.171 -2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.776 -2.850 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.953 -3.523 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.029 -6.229 -2.087 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.844 -5.528 -3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.498 -4.512 -2.087 1.00 0.00 H new ATOM 325 N THR A 22 -5.277 -6.856 0.246 1.00 0.00 N ATOM 326 CA THR A 22 -5.151 -7.162 1.666 1.00 0.00 C ATOM 327 C THR A 22 -3.814 -6.669 2.208 1.00 0.00 C ATOM 328 O THR A 22 -2.779 -6.815 1.558 1.00 0.00 O ATOM 329 CB THR A 22 -5.275 -8.674 1.930 1.00 0.00 C ATOM 330 OG1 THR A 22 -4.232 -9.379 1.246 1.00 0.00 O ATOM 331 CG2 THR A 22 -6.629 -9.194 1.469 1.00 0.00 C ATOM 0 H THR A 22 -5.172 -7.662 -0.370 1.00 0.00 H new ATOM 0 HA THR A 22 -5.964 -6.648 2.178 1.00 0.00 H new ATOM 0 HB THR A 22 -5.183 -8.841 3.003 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.317 -10.340 1.421 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.694 -10.264 1.665 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.421 -8.677 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.743 -9.014 0.400 1.00 0.00 H new ATOM 339 N LEU A 23 -3.842 -6.083 3.401 1.00 0.00 N ATOM 340 CA LEU A 23 -2.631 -5.562 4.024 1.00 0.00 C ATOM 341 C LEU A 23 -2.528 -6.002 5.481 1.00 0.00 C ATOM 342 O LEU A 23 -3.536 -6.131 6.175 1.00 0.00 O ATOM 343 CB LEU A 23 -2.609 -4.034 3.942 1.00 0.00 C ATOM 344 CG LEU A 23 -2.653 -3.454 2.527 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.756 -1.938 2.577 1.00 0.00 C ATOM 346 CD2 LEU A 23 -1.424 -3.881 1.736 1.00 0.00 C ATOM 0 H LEU A 23 -4.689 -5.957 3.955 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.775 -5.965 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.458 -3.644 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.707 -3.673 4.437 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.537 -3.843 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.786 -1.542 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.666 -1.652 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.890 -1.532 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.473 -3.459 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.526 -3.521 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.393 -4.969 1.671 1.00 0.00 H new ATOM 358 N ARG A 24 -1.300 -6.232 5.937 1.00 0.00 N ATOM 359 CA ARG A 24 -1.058 -6.650 7.312 1.00 0.00 C ATOM 360 C ARG A 24 -0.165 -5.644 8.029 1.00 0.00 C ATOM 361 O ARG A 24 0.742 -5.068 7.425 1.00 0.00 O ATOM 362 CB ARG A 24 -0.409 -8.036 7.347 1.00 0.00 C ATOM 363 CG ARG A 24 -1.290 -9.139 6.782 1.00 0.00 C ATOM 364 CD ARG A 24 -0.622 -10.499 6.904 1.00 0.00 C ATOM 365 NE ARG A 24 -1.468 -11.575 6.396 1.00 0.00 N ATOM 366 CZ ARG A 24 -1.229 -12.866 6.608 1.00 0.00 C ATOM 367 NH1 ARG A 24 -0.176 -13.241 7.323 1.00 0.00 N ATOM 368 NH2 ARG A 24 -2.044 -13.784 6.107 1.00 0.00 N ATOM 0 H ARG A 24 -0.456 -6.135 5.372 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.019 -6.697 7.825 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.524 -8.005 6.784 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.152 -8.281 8.378 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.244 -9.152 7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.508 -8.932 5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.320 -10.490 6.356 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.381 -10.691 7.949 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.290 -11.322 5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.453 -12.538 7.712 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.005 -14.232 7.484 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.856 -13.500 5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.859 -14.774 6.270 1.00 0.00 H new ATOM 382 N GLU A 25 -0.427 -5.433 9.316 1.00 0.00 N ATOM 383 CA GLU A 25 0.358 -4.496 10.113 1.00 0.00 C ATOM 384 C GLU A 25 1.841 -4.846 10.046 1.00 0.00 C ATOM 385 O GLU A 25 2.303 -5.768 10.720 1.00 0.00 O ATOM 386 CB GLU A 25 -0.124 -4.503 11.568 1.00 0.00 C ATOM 387 CG GLU A 25 0.401 -3.340 12.400 1.00 0.00 C ATOM 388 CD GLU A 25 1.882 -3.453 12.706 1.00 0.00 C ATOM 389 OE1 GLU A 25 2.237 -4.169 13.666 1.00 0.00 O ATOM 390 OE2 GLU A 25 2.687 -2.824 11.988 1.00 0.00 O ATOM 0 H GLU A 25 -1.176 -5.898 9.829 1.00 0.00 H new ATOM 0 HA GLU A 25 0.221 -3.495 9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.214 -4.482 11.579 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.181 -5.439 12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.215 -2.407 11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.155 -3.290 13.336 1.00 0.00 H new ATOM 397 N GLY A 26 2.580 -4.106 9.225 1.00 0.00 N ATOM 398 CA GLY A 26 4.003 -4.351 9.078 1.00 0.00 C ATOM 399 C GLY A 26 4.408 -4.582 7.635 1.00 0.00 C ATOM 400 O GLY A 26 5.487 -5.109 7.363 1.00 0.00 O ATOM 0 H GLY A 26 2.218 -3.340 8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.557 -3.501 9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.282 -5.220 9.674 1.00 0.00 H new ATOM 404 N GLN A 27 3.540 -4.187 6.708 1.00 0.00 N ATOM 405 CA GLN A 27 3.803 -4.351 5.291 1.00 0.00 C ATOM 406 C GLN A 27 4.264 -3.040 4.661 1.00 0.00 C ATOM 407 O GLN A 27 3.686 -1.982 4.911 1.00 0.00 O ATOM 408 CB GLN A 27 2.536 -4.842 4.599 1.00 0.00 C ATOM 409 CG GLN A 27 2.637 -6.265 4.079 1.00 0.00 C ATOM 410 CD GLN A 27 3.505 -6.381 2.840 1.00 0.00 C ATOM 411 OE1 GLN A 27 4.444 -5.608 2.647 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.194 -7.354 1.990 1.00 0.00 N ATOM 0 H GLN A 27 2.644 -3.749 6.920 1.00 0.00 H new ATOM 0 HA GLN A 27 4.602 -5.082 5.167 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.703 -4.779 5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.305 -4.176 3.767 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.044 -6.905 4.862 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.637 -6.635 3.852 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.408 -7.973 2.188 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.742 -7.482 1.139 1.00 0.00 H new ATOM 421 N TYR A 28 5.309 -3.119 3.844 1.00 0.00 N ATOM 422 CA TYR A 28 5.853 -1.942 3.174 1.00 0.00 C ATOM 423 C TYR A 28 5.443 -1.926 1.704 1.00 0.00 C ATOM 424 O TYR A 28 5.444 -2.964 1.042 1.00 0.00 O ATOM 425 CB TYR A 28 7.377 -1.926 3.291 1.00 0.00 C ATOM 426 CG TYR A 28 7.884 -2.121 4.703 1.00 0.00 C ATOM 427 CD1 TYR A 28 8.056 -1.037 5.556 1.00 0.00 C ATOM 428 CD2 TYR A 28 8.195 -3.389 5.181 1.00 0.00 C ATOM 429 CE1 TYR A 28 8.521 -1.211 6.846 1.00 0.00 C ATOM 430 CE2 TYR A 28 8.661 -3.570 6.470 1.00 0.00 C ATOM 431 CZ TYR A 28 8.823 -2.479 7.298 1.00 0.00 C ATOM 432 OH TYR A 28 9.288 -2.656 8.580 1.00 0.00 O ATOM 0 H TYR A 28 5.798 -3.988 3.629 1.00 0.00 H new ATOM 0 HA TYR A 28 5.450 -1.052 3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.789 -2.710 2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.751 -0.976 2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.823 -0.043 5.205 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.071 -4.246 4.535 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.647 -0.358 7.497 1.00 0.00 H new ATOM 0 HE2 TYR A 28 8.897 -4.562 6.827 1.00 0.00 H new ATOM 0 HH TYR A 28 9.451 -3.609 8.740 1.00 0.00 H new ATOM 442 N VAL A 29 5.095 -0.745 1.194 1.00 0.00 N ATOM 443 CA VAL A 29 4.678 -0.618 -0.199 1.00 0.00 C ATOM 444 C VAL A 29 4.811 0.820 -0.714 1.00 0.00 C ATOM 445 O VAL A 29 4.244 1.749 -0.144 1.00 0.00 O ATOM 446 CB VAL A 29 3.219 -1.087 -0.378 1.00 0.00 C ATOM 447 CG1 VAL A 29 2.311 -0.419 0.643 1.00 0.00 C ATOM 448 CG2 VAL A 29 2.735 -0.810 -1.793 1.00 0.00 C ATOM 0 H VAL A 29 5.094 0.129 1.720 1.00 0.00 H new ATOM 0 HA VAL A 29 5.344 -1.253 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 29 3.184 -2.164 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.287 -0.763 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.643 -0.677 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.352 0.663 0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.704 -1.148 -1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.788 0.260 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.366 -1.343 -2.504 1.00 0.00 H new ATOM 458 N GLU A 30 5.560 0.985 -1.804 1.00 0.00 N ATOM 459 CA GLU A 30 5.760 2.294 -2.419 1.00 0.00 C ATOM 460 C GLU A 30 4.513 2.742 -3.179 1.00 0.00 C ATOM 461 O GLU A 30 3.724 1.918 -3.639 1.00 0.00 O ATOM 462 CB GLU A 30 6.958 2.250 -3.370 1.00 0.00 C ATOM 463 CG GLU A 30 6.874 1.138 -4.403 1.00 0.00 C ATOM 464 CD GLU A 30 8.091 1.087 -5.305 1.00 0.00 C ATOM 465 OE1 GLU A 30 9.124 0.531 -4.877 1.00 0.00 O ATOM 466 OE2 GLU A 30 8.010 1.600 -6.441 1.00 0.00 O ATOM 0 H GLU A 30 6.041 0.222 -2.281 1.00 0.00 H new ATOM 0 HA GLU A 30 5.954 3.014 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.038 3.207 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.870 2.124 -2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.764 0.181 -3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.981 1.279 -5.012 1.00 0.00 H new ATOM 473 N VAL A 31 4.345 4.057 -3.307 1.00 0.00 N ATOM 474 CA VAL A 31 3.196 4.619 -4.008 1.00 0.00 C ATOM 475 C VAL A 31 3.536 4.930 -5.464 1.00 0.00 C ATOM 476 O VAL A 31 4.633 5.397 -5.771 1.00 0.00 O ATOM 477 CB VAL A 31 2.691 5.905 -3.317 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.725 7.017 -3.418 1.00 0.00 C ATOM 479 CG2 VAL A 31 1.361 6.346 -3.911 1.00 0.00 C ATOM 0 H VAL A 31 4.991 4.752 -2.934 1.00 0.00 H new ATOM 0 HA VAL A 31 2.407 3.868 -3.979 1.00 0.00 H new ATOM 0 HB VAL A 31 2.536 5.685 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.346 7.912 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.649 6.700 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.921 7.237 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.022 7.253 -3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.486 6.543 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.621 5.558 -3.772 1.00 0.00 H new ATOM 489 N LEU A 32 2.588 4.662 -6.358 1.00 0.00 N ATOM 490 CA LEU A 32 2.783 4.918 -7.781 1.00 0.00 C ATOM 491 C LEU A 32 2.185 6.265 -8.172 1.00 0.00 C ATOM 492 O LEU A 32 2.907 7.211 -8.491 1.00 0.00 O ATOM 493 CB LEU A 32 2.141 3.810 -8.618 1.00 0.00 C ATOM 494 CG LEU A 32 2.583 2.385 -8.279 1.00 0.00 C ATOM 495 CD1 LEU A 32 1.821 1.378 -9.127 1.00 0.00 C ATOM 496 CD2 LEU A 32 4.083 2.228 -8.483 1.00 0.00 C ATOM 0 H LEU A 32 1.677 4.268 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 32 3.855 4.937 -7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.059 3.873 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.361 3.999 -9.669 1.00 0.00 H new ATOM 0 HG LEU A 32 2.358 2.194 -7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.147 0.369 -8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.753 1.474 -8.933 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.017 1.569 -10.182 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.379 1.208 -8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.333 2.437 -9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.613 2.926 -7.835 1.00 0.00 H new ATOM 508 N ASP A 33 0.858 6.340 -8.144 1.00 0.00 N ATOM 509 CA ASP A 33 0.148 7.565 -8.492 1.00 0.00 C ATOM 510 C ASP A 33 -0.790 7.984 -7.366 1.00 0.00 C ATOM 511 O ASP A 33 -1.060 7.208 -6.449 1.00 0.00 O ATOM 512 CB ASP A 33 -0.646 7.367 -9.784 1.00 0.00 C ATOM 513 CG ASP A 33 0.239 7.005 -10.962 1.00 0.00 C ATOM 514 OD1 ASP A 33 0.543 5.805 -11.129 1.00 0.00 O ATOM 515 OD2 ASP A 33 0.626 7.921 -11.717 1.00 0.00 O ATOM 0 H ASP A 33 0.251 5.563 -7.883 1.00 0.00 H new ATOM 0 HA ASP A 33 0.884 8.355 -8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.386 6.581 -9.635 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.194 8.281 -10.013 1.00 0.00 H new ATOM 520 N ALA A 34 -1.281 9.217 -7.439 1.00 0.00 N ATOM 521 CA ALA A 34 -2.191 9.738 -6.426 1.00 0.00 C ATOM 522 C ALA A 34 -3.576 9.988 -7.014 1.00 0.00 C ATOM 523 O ALA A 34 -4.572 9.452 -6.528 1.00 0.00 O ATOM 524 CB ALA A 34 -1.634 11.017 -5.820 1.00 0.00 C ATOM 0 H ALA A 34 -1.064 9.873 -8.189 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.286 8.990 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.325 11.393 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.669 10.810 -5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.508 11.766 -6.602 1.00 0.00 H new ATOM 530 N ALA A 35 -3.625 10.806 -8.063 1.00 0.00 N ATOM 531 CA ALA A 35 -4.882 11.136 -8.730 1.00 0.00 C ATOM 532 C ALA A 35 -5.864 11.798 -7.766 1.00 0.00 C ATOM 533 O ALA A 35 -5.918 13.024 -7.669 1.00 0.00 O ATOM 534 CB ALA A 35 -5.498 9.890 -9.351 1.00 0.00 C ATOM 0 H ALA A 35 -2.805 11.254 -8.471 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.663 11.850 -9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.434 10.154 -9.844 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.808 9.469 -10.083 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.693 9.154 -8.572 1.00 0.00 H new ATOM 540 N HIS A 36 -6.638 10.983 -7.056 1.00 0.00 N ATOM 541 CA HIS A 36 -7.613 11.494 -6.100 1.00 0.00 C ATOM 542 C HIS A 36 -7.107 11.319 -4.667 1.00 0.00 C ATOM 543 O HIS A 36 -6.739 10.214 -4.267 1.00 0.00 O ATOM 544 CB HIS A 36 -8.954 10.778 -6.274 1.00 0.00 C ATOM 545 CG HIS A 36 -9.567 10.980 -7.626 1.00 0.00 C ATOM 546 ND1 HIS A 36 -10.512 11.950 -7.887 1.00 0.00 N ATOM 547 CD2 HIS A 36 -9.363 10.333 -8.798 1.00 0.00 C ATOM 548 CE1 HIS A 36 -10.865 11.889 -9.158 1.00 0.00 C ATOM 549 NE2 HIS A 36 -10.181 10.918 -9.733 1.00 0.00 N ATOM 0 H HIS A 36 -6.609 9.966 -7.125 1.00 0.00 H new ATOM 0 HA HIS A 36 -7.753 12.558 -6.291 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -8.812 9.711 -6.104 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.648 11.133 -5.512 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.684 9.510 -8.966 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.590 12.525 -9.644 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.249 10.646 -10.714 1.00 0.00 H new ATOM 558 N PRO A 37 -7.080 12.408 -3.869 1.00 0.00 N ATOM 559 CA PRO A 37 -6.611 12.359 -2.476 1.00 0.00 C ATOM 560 C PRO A 37 -7.324 11.293 -1.652 1.00 0.00 C ATOM 561 O PRO A 37 -6.795 10.815 -0.647 1.00 0.00 O ATOM 562 CB PRO A 37 -6.952 13.755 -1.952 1.00 0.00 C ATOM 563 CG PRO A 37 -6.919 14.611 -3.151 1.00 0.00 C ATOM 564 CD PRO A 37 -7.497 13.773 -4.252 1.00 0.00 C ATOM 0 HA PRO A 37 -5.554 12.101 -2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.933 13.773 -1.477 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.230 14.087 -1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.502 15.520 -3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.900 14.920 -3.386 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.582 13.866 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.104 14.058 -5.228 1.00 0.00 H new ATOM 572 N LEU A 38 -8.525 10.925 -2.083 1.00 0.00 N ATOM 573 CA LEU A 38 -9.316 9.914 -1.388 1.00 0.00 C ATOM 574 C LEU A 38 -8.546 8.600 -1.281 1.00 0.00 C ATOM 575 O LEU A 38 -8.361 8.066 -0.187 1.00 0.00 O ATOM 576 CB LEU A 38 -10.645 9.690 -2.117 1.00 0.00 C ATOM 577 CG LEU A 38 -11.757 9.044 -1.282 1.00 0.00 C ATOM 578 CD1 LEU A 38 -13.111 9.277 -1.931 1.00 0.00 C ATOM 579 CD2 LEU A 38 -11.505 7.554 -1.105 1.00 0.00 C ATOM 0 H LEU A 38 -8.974 11.312 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.521 10.273 -0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.003 10.651 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.459 9.063 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.757 9.510 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.889 8.812 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.300 10.348 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.117 8.838 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.307 7.118 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.475 7.072 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.553 7.404 -0.597 1.00 0.00 H new ATOM 591 N ARG A 39 -8.099 8.084 -2.422 1.00 0.00 N ATOM 592 CA ARG A 39 -7.351 6.832 -2.454 1.00 0.00 C ATOM 593 C ARG A 39 -6.159 6.933 -3.401 1.00 0.00 C ATOM 594 O ARG A 39 -6.263 7.502 -4.487 1.00 0.00 O ATOM 595 CB ARG A 39 -8.264 5.680 -2.877 1.00 0.00 C ATOM 596 CG ARG A 39 -8.919 5.887 -4.233 1.00 0.00 C ATOM 597 CD ARG A 39 -9.997 4.848 -4.497 1.00 0.00 C ATOM 598 NE ARG A 39 -11.070 4.914 -3.508 1.00 0.00 N ATOM 599 CZ ARG A 39 -12.316 4.510 -3.741 1.00 0.00 C ATOM 600 NH1 ARG A 39 -12.645 4.010 -4.924 1.00 0.00 N ATOM 601 NH2 ARG A 39 -13.233 4.605 -2.788 1.00 0.00 N ATOM 0 H ARG A 39 -8.242 8.513 -3.336 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.974 6.636 -1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.684 4.758 -2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.041 5.548 -2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.355 6.885 -4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.162 5.834 -5.015 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.412 5.000 -5.493 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.553 3.853 -4.485 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.851 5.291 -2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.942 3.934 -5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.601 3.701 -5.099 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.983 4.988 -1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.188 4.295 -2.967 1.00 0.00 H new ATOM 615 N TRP A 40 -5.025 6.379 -2.979 1.00 0.00 N ATOM 616 CA TRP A 40 -3.811 6.410 -3.788 1.00 0.00 C ATOM 617 C TRP A 40 -3.467 5.020 -4.319 1.00 0.00 C ATOM 618 O TRP A 40 -3.821 4.008 -3.715 1.00 0.00 O ATOM 619 CB TRP A 40 -2.638 6.957 -2.968 1.00 0.00 C ATOM 620 CG TRP A 40 -2.823 8.378 -2.516 1.00 0.00 C ATOM 621 CD1 TRP A 40 -3.756 9.272 -2.964 1.00 0.00 C ATOM 622 CD2 TRP A 40 -2.050 9.068 -1.527 1.00 0.00 C ATOM 623 NE1 TRP A 40 -3.610 10.472 -2.312 1.00 0.00 N ATOM 624 CE2 TRP A 40 -2.569 10.374 -1.426 1.00 0.00 C ATOM 625 CE3 TRP A 40 -0.969 8.710 -0.717 1.00 0.00 C ATOM 626 CZ2 TRP A 40 -2.044 11.318 -0.548 1.00 0.00 C ATOM 627 CZ3 TRP A 40 -0.449 9.649 0.155 1.00 0.00 C ATOM 628 CH2 TRP A 40 -0.987 10.940 0.234 1.00 0.00 C ATOM 0 H TRP A 40 -4.922 5.904 -2.082 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.993 7.068 -4.638 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.492 6.324 -2.093 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.728 6.891 -3.565 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.499 9.065 -3.720 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.184 11.302 -2.463 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.547 7.717 -0.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.457 12.314 -0.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.386 9.382 0.786 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.559 11.651 0.926 1.00 0.00 H new ATOM 639 N LEU A 41 -2.776 4.983 -5.454 1.00 0.00 N ATOM 640 CA LEU A 41 -2.374 3.724 -6.072 1.00 0.00 C ATOM 641 C LEU A 41 -1.053 3.238 -5.483 1.00 0.00 C ATOM 642 O LEU A 41 -0.087 3.996 -5.402 1.00 0.00 O ATOM 643 CB LEU A 41 -2.241 3.901 -7.588 1.00 0.00 C ATOM 644 CG LEU A 41 -1.630 2.715 -8.340 1.00 0.00 C ATOM 645 CD1 LEU A 41 -2.493 1.472 -8.179 1.00 0.00 C ATOM 646 CD2 LEU A 41 -1.456 3.056 -9.813 1.00 0.00 C ATOM 0 H LEU A 41 -2.482 5.814 -5.966 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.141 2.977 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.230 4.100 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.632 4.784 -7.781 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.649 2.506 -7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.040 0.642 -8.721 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.569 1.216 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.489 1.666 -8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.021 2.204 -10.335 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.427 3.291 -10.249 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.796 3.918 -9.911 1.00 0.00 H new ATOM 658 N VAL A 42 -1.014 1.973 -5.072 1.00 0.00 N ATOM 659 CA VAL A 42 0.193 1.399 -4.484 1.00 0.00 C ATOM 660 C VAL A 42 0.359 -0.072 -4.861 1.00 0.00 C ATOM 661 O VAL A 42 -0.611 -0.828 -4.887 1.00 0.00 O ATOM 662 CB VAL A 42 0.181 1.518 -2.945 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.169 2.977 -2.514 1.00 0.00 C ATOM 664 CG2 VAL A 42 -1.011 0.775 -2.357 1.00 0.00 C ATOM 0 H VAL A 42 -1.802 1.328 -5.135 1.00 0.00 H new ATOM 0 HA VAL A 42 1.031 1.968 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 42 1.093 1.059 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.161 3.035 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.059 3.477 -2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.721 3.466 -2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.000 0.872 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.935 1.200 -2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.952 -0.279 -2.628 1.00 0.00 H new ATOM 674 N ARG A 43 1.596 -0.468 -5.154 1.00 0.00 N ATOM 675 CA ARG A 43 1.896 -1.852 -5.512 1.00 0.00 C ATOM 676 C ARG A 43 2.968 -2.419 -4.584 1.00 0.00 C ATOM 677 O ARG A 43 4.103 -1.945 -4.565 1.00 0.00 O ATOM 678 CB ARG A 43 2.353 -1.952 -6.973 1.00 0.00 C ATOM 679 CG ARG A 43 3.591 -1.131 -7.292 1.00 0.00 C ATOM 680 CD ARG A 43 4.060 -1.358 -8.720 1.00 0.00 C ATOM 681 NE ARG A 43 4.570 -2.711 -8.921 1.00 0.00 N ATOM 682 CZ ARG A 43 5.319 -3.071 -9.960 1.00 0.00 C ATOM 683 NH1 ARG A 43 5.643 -2.180 -10.888 1.00 0.00 N ATOM 684 NH2 ARG A 43 5.746 -4.322 -10.070 1.00 0.00 N ATOM 0 H ARG A 43 2.407 0.151 -5.150 1.00 0.00 H new ATOM 0 HA ARG A 43 0.984 -2.438 -5.398 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.552 -2.997 -7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.538 -1.628 -7.621 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.375 -0.073 -7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.391 -1.394 -6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.233 -1.177 -9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.840 -0.637 -8.964 1.00 0.00 H new ATOM 0 HE ARG A 43 4.339 -3.421 -8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.318 -1.217 -10.806 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.217 -2.458 -11.684 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.500 -5.009 -9.358 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.320 -4.597 -10.867 1.00 0.00 H new ATOM 698 N THR A 44 2.597 -3.428 -3.802 1.00 0.00 N ATOM 699 CA THR A 44 3.531 -4.045 -2.868 1.00 0.00 C ATOM 700 C THR A 44 4.668 -4.741 -3.604 1.00 0.00 C ATOM 701 O THR A 44 4.519 -5.145 -4.758 1.00 0.00 O ATOM 702 CB THR A 44 2.828 -5.063 -1.954 1.00 0.00 C ATOM 703 OG1 THR A 44 2.408 -6.200 -2.718 1.00 0.00 O ATOM 704 CG2 THR A 44 1.623 -4.437 -1.268 1.00 0.00 C ATOM 0 H THR A 44 1.661 -3.834 -3.796 1.00 0.00 H new ATOM 0 HA THR A 44 3.937 -3.240 -2.255 1.00 0.00 H new ATOM 0 HB THR A 44 3.538 -5.379 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.963 -6.844 -2.128 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.144 -5.177 -0.628 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.948 -3.590 -0.663 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.913 -4.094 -2.021 1.00 0.00 H new ATOM 712 N LYS A 45 5.805 -4.879 -2.929 1.00 0.00 N ATOM 713 CA LYS A 45 6.969 -5.526 -3.519 1.00 0.00 C ATOM 714 C LYS A 45 6.884 -7.044 -3.355 1.00 0.00 C ATOM 715 O LYS A 45 6.468 -7.536 -2.306 1.00 0.00 O ATOM 716 CB LYS A 45 8.253 -5.001 -2.874 1.00 0.00 C ATOM 717 CG LYS A 45 8.390 -3.488 -2.937 1.00 0.00 C ATOM 718 CD LYS A 45 9.663 -3.007 -2.256 1.00 0.00 C ATOM 719 CE LYS A 45 10.905 -3.417 -3.033 1.00 0.00 C ATOM 720 NZ LYS A 45 12.153 -2.930 -2.381 1.00 0.00 N ATOM 0 H LYS A 45 5.944 -4.551 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 45 6.987 -5.292 -4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.282 -5.317 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.111 -5.456 -3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.391 -3.166 -3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.526 -3.025 -2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.636 -1.922 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.713 -3.416 -1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.939 -4.503 -3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.846 -3.021 -4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.977 -3.230 -2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.132 -1.892 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.222 -3.328 -1.423 1.00 0.00 H new ATOM 734 N PRO A 46 7.277 -7.807 -4.393 1.00 0.00 N ATOM 735 CA PRO A 46 7.237 -9.272 -4.347 1.00 0.00 C ATOM 736 C PRO A 46 8.291 -9.849 -3.407 1.00 0.00 C ATOM 737 O PRO A 46 9.433 -9.391 -3.383 1.00 0.00 O ATOM 738 CB PRO A 46 7.519 -9.684 -5.793 1.00 0.00 C ATOM 739 CG PRO A 46 8.291 -8.548 -6.370 1.00 0.00 C ATOM 740 CD PRO A 46 7.786 -7.308 -5.686 1.00 0.00 C ATOM 0 HA PRO A 46 6.285 -9.643 -3.967 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.089 -10.612 -5.836 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.594 -9.853 -6.344 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.360 -8.678 -6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.144 -8.485 -7.448 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.580 -6.575 -5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.001 -6.822 -6.265 1.00 0.00 H new ATOM 748 N THR A 47 7.897 -10.858 -2.637 1.00 0.00 N ATOM 749 CA THR A 47 8.804 -11.498 -1.691 1.00 0.00 C ATOM 750 C THR A 47 9.456 -12.736 -2.306 1.00 0.00 C ATOM 751 O THR A 47 9.685 -13.737 -1.626 1.00 0.00 O ATOM 752 CB THR A 47 8.065 -11.894 -0.397 1.00 0.00 C ATOM 753 OG1 THR A 47 8.964 -12.547 0.507 1.00 0.00 O ATOM 754 CG2 THR A 47 6.888 -12.808 -0.703 1.00 0.00 C ATOM 0 H THR A 47 6.955 -11.250 -2.650 1.00 0.00 H new ATOM 0 HA THR A 47 9.582 -10.774 -1.447 1.00 0.00 H new ATOM 0 HB THR A 47 7.686 -10.984 0.069 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.374 -13.317 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.383 -13.074 0.226 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.189 -12.293 -1.362 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.248 -13.713 -1.192 1.00 0.00 H new ATOM 762 N LYS A 48 9.754 -12.652 -3.601 1.00 0.00 N ATOM 763 CA LYS A 48 10.389 -13.751 -4.325 1.00 0.00 C ATOM 764 C LYS A 48 9.491 -14.986 -4.362 1.00 0.00 C ATOM 765 O LYS A 48 9.940 -16.079 -4.709 1.00 0.00 O ATOM 766 CB LYS A 48 11.737 -14.105 -3.688 1.00 0.00 C ATOM 767 CG LYS A 48 12.681 -12.920 -3.559 1.00 0.00 C ATOM 768 CD LYS A 48 14.023 -13.339 -2.981 1.00 0.00 C ATOM 769 CE LYS A 48 14.936 -12.143 -2.760 1.00 0.00 C ATOM 770 NZ LYS A 48 14.364 -11.183 -1.776 1.00 0.00 N ATOM 0 H LYS A 48 9.564 -11.829 -4.173 1.00 0.00 H new ATOM 0 HA LYS A 48 10.554 -13.419 -5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.562 -14.528 -2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.219 -14.879 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.831 -12.465 -4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.229 -12.161 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.866 -13.857 -2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.506 -14.046 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.908 -12.488 -2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.104 -11.634 -3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.110 -10.536 -1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.604 -10.635 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.978 -11.706 -0.964 1.00 0.00 H new ATOM 784 N SER A 49 8.221 -14.808 -4.010 1.00 0.00 N ATOM 785 CA SER A 49 7.269 -15.915 -4.011 1.00 0.00 C ATOM 786 C SER A 49 5.855 -15.426 -4.314 1.00 0.00 C ATOM 787 O SER A 49 4.983 -16.214 -4.679 1.00 0.00 O ATOM 788 CB SER A 49 7.291 -16.638 -2.663 1.00 0.00 C ATOM 789 OG SER A 49 6.917 -15.768 -1.610 1.00 0.00 O ATOM 0 H SER A 49 7.828 -13.912 -3.722 1.00 0.00 H new ATOM 0 HA SER A 49 7.567 -16.611 -4.795 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.612 -17.490 -2.693 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.290 -17.033 -2.475 1.00 0.00 H new ATOM 0 HG SER A 49 7.667 -15.666 -0.988 1.00 0.00 H new ATOM 795 N SER A 50 5.635 -14.123 -4.161 1.00 0.00 N ATOM 796 CA SER A 50 4.326 -13.532 -4.420 1.00 0.00 C ATOM 797 C SER A 50 4.446 -12.331 -5.356 1.00 0.00 C ATOM 798 O SER A 50 5.091 -11.341 -5.017 1.00 0.00 O ATOM 799 CB SER A 50 3.667 -13.104 -3.107 1.00 0.00 C ATOM 800 OG SER A 50 3.465 -14.215 -2.251 1.00 0.00 O ATOM 0 H SER A 50 6.346 -13.457 -3.859 1.00 0.00 H new ATOM 0 HA SER A 50 3.704 -14.286 -4.902 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.293 -12.365 -2.607 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.711 -12.624 -3.316 1.00 0.00 H new ATOM 0 HG SER A 50 3.044 -13.914 -1.419 1.00 0.00 H new ATOM 806 N PRO A 51 3.822 -12.399 -6.549 1.00 0.00 N ATOM 807 CA PRO A 51 3.868 -11.304 -7.526 1.00 0.00 C ATOM 808 C PRO A 51 3.341 -9.993 -6.953 1.00 0.00 C ATOM 809 O PRO A 51 2.515 -9.991 -6.039 1.00 0.00 O ATOM 810 CB PRO A 51 2.964 -11.792 -8.667 1.00 0.00 C ATOM 811 CG PRO A 51 2.150 -12.894 -8.078 1.00 0.00 C ATOM 812 CD PRO A 51 3.024 -13.533 -7.043 1.00 0.00 C ATOM 0 HA PRO A 51 4.889 -11.089 -7.841 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.328 -10.988 -9.037 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.554 -12.147 -9.512 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.233 -12.509 -7.633 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.855 -13.614 -8.841 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.439 -13.994 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.652 -14.315 -7.470 1.00 0.00 H new ATOM 820 N SER A 52 3.827 -8.880 -7.493 1.00 0.00 N ATOM 821 CA SER A 52 3.409 -7.559 -7.033 1.00 0.00 C ATOM 822 C SER A 52 1.943 -7.298 -7.367 1.00 0.00 C ATOM 823 O SER A 52 1.531 -7.397 -8.523 1.00 0.00 O ATOM 824 CB SER A 52 4.287 -6.472 -7.656 1.00 0.00 C ATOM 825 OG SER A 52 3.617 -5.225 -7.678 1.00 0.00 O ATOM 0 H SER A 52 4.511 -8.866 -8.250 1.00 0.00 H new ATOM 0 HA SER A 52 3.525 -7.532 -5.949 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.214 -6.380 -7.090 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.561 -6.759 -8.671 1.00 0.00 H new ATOM 0 HG SER A 52 3.678 -4.805 -6.794 1.00 0.00 H new ATOM 831 N ARG A 53 1.166 -6.964 -6.342 1.00 0.00 N ATOM 832 CA ARG A 53 -0.254 -6.681 -6.513 1.00 0.00 C ATOM 833 C ARG A 53 -0.568 -5.246 -6.109 1.00 0.00 C ATOM 834 O ARG A 53 -0.262 -4.826 -4.993 1.00 0.00 O ATOM 835 CB ARG A 53 -1.089 -7.656 -5.687 1.00 0.00 C ATOM 836 CG ARG A 53 -0.886 -9.103 -6.093 1.00 0.00 C ATOM 837 CD ARG A 53 -1.962 -9.995 -5.508 1.00 0.00 C ATOM 838 NE ARG A 53 -1.839 -10.124 -4.059 1.00 0.00 N ATOM 839 CZ ARG A 53 -2.002 -11.269 -3.404 1.00 0.00 C ATOM 840 NH1 ARG A 53 -2.287 -12.382 -4.067 1.00 0.00 N ATOM 841 NH2 ARG A 53 -1.876 -11.303 -2.084 1.00 0.00 N ATOM 0 H ARG A 53 1.498 -6.883 -5.381 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.506 -6.805 -7.566 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.835 -7.541 -4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.144 -7.400 -5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.896 -9.183 -7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.094 -9.443 -5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.943 -9.588 -5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.903 -10.982 -5.966 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.615 -9.288 -3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.382 -12.361 -5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.411 -13.259 -3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.654 -10.450 -1.571 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.001 -12.182 -1.582 1.00 0.00 H new ATOM 855 N GLN A 54 -1.179 -4.497 -7.021 1.00 0.00 N ATOM 856 CA GLN A 54 -1.524 -3.106 -6.755 1.00 0.00 C ATOM 857 C GLN A 54 -2.994 -2.961 -6.375 1.00 0.00 C ATOM 858 O GLN A 54 -3.874 -3.538 -7.014 1.00 0.00 O ATOM 859 CB GLN A 54 -1.215 -2.236 -7.975 1.00 0.00 C ATOM 860 CG GLN A 54 -1.803 -2.773 -9.269 1.00 0.00 C ATOM 861 CD GLN A 54 -1.736 -1.768 -10.402 1.00 0.00 C ATOM 862 OE1 GLN A 54 -2.653 -0.969 -10.594 1.00 0.00 O ATOM 863 NE2 GLN A 54 -0.647 -1.804 -11.161 1.00 0.00 N ATOM 0 H GLN A 54 -1.445 -4.829 -7.948 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.919 -2.771 -5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.599 -1.231 -7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.134 -2.150 -8.085 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.268 -3.678 -9.559 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.842 -3.057 -9.101 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.089 -2.483 -10.966 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.546 -1.153 -11.939 1.00 0.00 H new ATOM 872 N GLY A 55 -3.246 -2.180 -5.329 1.00 0.00 N ATOM 873 CA GLY A 55 -4.605 -1.958 -4.871 1.00 0.00 C ATOM 874 C GLY A 55 -4.771 -0.607 -4.205 1.00 0.00 C ATOM 875 O GLY A 55 -3.909 -0.177 -3.439 1.00 0.00 O ATOM 0 H GLY A 55 -2.530 -1.695 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.288 -2.030 -5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.883 -2.744 -4.169 1.00 0.00 H new ATOM 879 N TRP A 56 -5.879 0.065 -4.499 1.00 0.00 N ATOM 880 CA TRP A 56 -6.152 1.377 -3.921 1.00 0.00 C ATOM 881 C TRP A 56 -6.568 1.247 -2.459 1.00 0.00 C ATOM 882 O TRP A 56 -7.510 0.524 -2.135 1.00 0.00 O ATOM 883 CB TRP A 56 -7.247 2.092 -4.714 1.00 0.00 C ATOM 884 CG TRP A 56 -6.928 2.249 -6.171 1.00 0.00 C ATOM 885 CD1 TRP A 56 -7.055 1.301 -7.144 1.00 0.00 C ATOM 886 CD2 TRP A 56 -6.435 3.427 -6.819 1.00 0.00 C ATOM 887 NE1 TRP A 56 -6.668 1.815 -8.358 1.00 0.00 N ATOM 888 CE2 TRP A 56 -6.284 3.119 -8.186 1.00 0.00 C ATOM 889 CE3 TRP A 56 -6.105 4.712 -6.379 1.00 0.00 C ATOM 890 CZ2 TRP A 56 -5.818 4.049 -9.112 1.00 0.00 C ATOM 891 CZ3 TRP A 56 -5.645 5.634 -7.300 1.00 0.00 C ATOM 892 CH2 TRP A 56 -5.505 5.299 -8.653 1.00 0.00 C ATOM 0 H TRP A 56 -6.602 -0.276 -5.133 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.237 1.967 -3.971 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.179 1.536 -4.613 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -7.414 3.077 -4.279 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -7.408 0.293 -6.983 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -6.667 1.308 -9.243 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.208 4.980 -5.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.708 3.792 -10.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.389 6.630 -6.971 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -5.143 6.042 -9.348 1.00 0.00 H new ATOM 903 N VAL A 57 -5.860 1.952 -1.582 1.00 0.00 N ATOM 904 CA VAL A 57 -6.155 1.911 -0.154 1.00 0.00 C ATOM 905 C VAL A 57 -6.200 3.315 0.441 1.00 0.00 C ATOM 906 O VAL A 57 -5.862 4.294 -0.225 1.00 0.00 O ATOM 907 CB VAL A 57 -5.115 1.071 0.611 1.00 0.00 C ATOM 908 CG1 VAL A 57 -5.129 -0.369 0.122 1.00 0.00 C ATOM 909 CG2 VAL A 57 -3.727 1.677 0.466 1.00 0.00 C ATOM 0 H VAL A 57 -5.079 2.558 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.135 1.445 -0.047 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.379 1.075 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.388 -0.948 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.118 -0.798 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.891 -0.394 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.006 1.070 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.451 1.706 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.728 2.690 0.869 1.00 0.00 H new ATOM 919 N SER A 58 -6.621 3.405 1.699 1.00 0.00 N ATOM 920 CA SER A 58 -6.710 4.687 2.388 1.00 0.00 C ATOM 921 C SER A 58 -5.366 5.066 3.013 1.00 0.00 C ATOM 922 O SER A 58 -4.901 4.403 3.941 1.00 0.00 O ATOM 923 CB SER A 58 -7.791 4.631 3.471 1.00 0.00 C ATOM 924 OG SER A 58 -9.061 4.349 2.909 1.00 0.00 O ATOM 0 H SER A 58 -6.906 2.604 2.262 1.00 0.00 H new ATOM 0 HA SER A 58 -6.976 5.448 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.536 3.866 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.828 5.582 4.002 1.00 0.00 H new ATOM 0 HG SER A 58 -9.734 4.317 3.621 1.00 0.00 H new ATOM 930 N PRO A 59 -4.718 6.139 2.513 1.00 0.00 N ATOM 931 CA PRO A 59 -3.422 6.591 3.035 1.00 0.00 C ATOM 932 C PRO A 59 -3.536 7.215 4.423 1.00 0.00 C ATOM 933 O PRO A 59 -2.532 7.598 5.025 1.00 0.00 O ATOM 934 CB PRO A 59 -2.975 7.640 2.016 1.00 0.00 C ATOM 935 CG PRO A 59 -4.239 8.153 1.422 1.00 0.00 C ATOM 936 CD PRO A 59 -5.191 6.990 1.403 1.00 0.00 C ATOM 0 HA PRO A 59 -2.723 5.763 3.153 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.409 8.440 2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.329 7.203 1.255 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.641 8.977 2.012 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.070 8.535 0.415 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.221 7.312 1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.160 6.461 0.450 1.00 0.00 H new ATOM 944 N ALA A 60 -4.762 7.314 4.926 1.00 0.00 N ATOM 945 CA ALA A 60 -5.002 7.893 6.243 1.00 0.00 C ATOM 946 C ALA A 60 -4.450 6.997 7.348 1.00 0.00 C ATOM 947 O ALA A 60 -4.369 7.404 8.507 1.00 0.00 O ATOM 948 CB ALA A 60 -6.489 8.138 6.450 1.00 0.00 C ATOM 0 H ALA A 60 -5.604 7.001 4.442 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.479 8.848 6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.653 8.570 7.437 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.854 8.826 5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.027 7.193 6.374 1.00 0.00 H new ATOM 954 N TYR A 61 -4.073 5.776 6.982 1.00 0.00 N ATOM 955 CA TYR A 61 -3.527 4.822 7.940 1.00 0.00 C ATOM 956 C TYR A 61 -2.090 4.459 7.580 1.00 0.00 C ATOM 957 O TYR A 61 -1.471 3.614 8.226 1.00 0.00 O ATOM 958 CB TYR A 61 -4.384 3.556 7.980 1.00 0.00 C ATOM 959 CG TYR A 61 -5.856 3.821 8.198 1.00 0.00 C ATOM 960 CD1 TYR A 61 -6.368 4.007 9.476 1.00 0.00 C ATOM 961 CD2 TYR A 61 -6.736 3.884 7.124 1.00 0.00 C ATOM 962 CE1 TYR A 61 -7.714 4.247 9.678 1.00 0.00 C ATOM 963 CE2 TYR A 61 -8.084 4.125 7.318 1.00 0.00 C ATOM 964 CZ TYR A 61 -8.567 4.305 8.596 1.00 0.00 C ATOM 965 OH TYR A 61 -9.907 4.545 8.794 1.00 0.00 O ATOM 0 H TYR A 61 -4.136 5.424 6.027 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.535 5.289 8.925 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.257 3.013 7.043 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.020 2.907 8.776 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.703 3.963 10.326 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.361 3.742 6.121 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.096 4.388 10.678 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.754 4.172 6.473 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.369 4.556 7.930 1.00 0.00 H new ATOM 975 N LEU A 62 -1.565 5.106 6.543 1.00 0.00 N ATOM 976 CA LEU A 62 -0.204 4.850 6.086 1.00 0.00 C ATOM 977 C LEU A 62 0.688 6.071 6.284 1.00 0.00 C ATOM 978 O LEU A 62 0.292 7.199 5.992 1.00 0.00 O ATOM 979 CB LEU A 62 -0.210 4.444 4.610 1.00 0.00 C ATOM 980 CG LEU A 62 -0.303 2.939 4.346 1.00 0.00 C ATOM 981 CD1 LEU A 62 -1.603 2.376 4.898 1.00 0.00 C ATOM 982 CD2 LEU A 62 -0.188 2.653 2.856 1.00 0.00 C ATOM 0 H LEU A 62 -2.064 5.813 6.003 1.00 0.00 H new ATOM 0 HA LEU A 62 0.201 4.034 6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.050 4.935 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.699 4.823 4.142 1.00 0.00 H new ATOM 0 HG LEU A 62 0.526 2.449 4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.649 1.305 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.646 2.548 5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.447 2.871 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.256 1.579 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.996 3.157 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.771 3.019 2.488 1.00 0.00 H new ATOM 994 N ASP A 63 1.898 5.832 6.781 1.00 0.00 N ATOM 995 CA ASP A 63 2.860 6.903 7.014 1.00 0.00 C ATOM 996 C ASP A 63 4.102 6.695 6.155 1.00 0.00 C ATOM 997 O ASP A 63 4.658 5.598 6.110 1.00 0.00 O ATOM 998 CB ASP A 63 3.251 6.958 8.492 1.00 0.00 C ATOM 999 CG ASP A 63 2.058 7.197 9.398 1.00 0.00 C ATOM 1000 OD1 ASP A 63 1.699 8.375 9.608 1.00 0.00 O ATOM 1001 OD2 ASP A 63 1.484 6.207 9.897 1.00 0.00 O ATOM 0 H ASP A 63 2.236 4.903 7.031 1.00 0.00 H new ATOM 0 HA ASP A 63 2.394 7.849 6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.735 6.022 8.772 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.982 7.752 8.642 1.00 0.00 H new ATOM 1006 N ARG A 64 4.532 7.753 5.472 1.00 0.00 N ATOM 1007 CA ARG A 64 5.705 7.676 4.609 1.00 0.00 C ATOM 1008 C ARG A 64 6.920 7.177 5.381 1.00 0.00 C ATOM 1009 O ARG A 64 7.042 7.403 6.585 1.00 0.00 O ATOM 1010 CB ARG A 64 6.006 9.039 3.986 1.00 0.00 C ATOM 1011 CG ARG A 64 6.540 10.058 4.976 1.00 0.00 C ATOM 1012 CD ARG A 64 6.718 11.419 4.327 1.00 0.00 C ATOM 1013 NE ARG A 64 5.460 11.939 3.796 1.00 0.00 N ATOM 1014 CZ ARG A 64 5.383 12.770 2.760 1.00 0.00 C ATOM 1015 NH1 ARG A 64 6.487 13.179 2.148 1.00 0.00 N ATOM 1016 NH2 ARG A 64 4.200 13.192 2.335 1.00 0.00 N ATOM 0 H ARG A 64 4.087 8.670 5.500 1.00 0.00 H new ATOM 0 HA ARG A 64 5.486 6.965 3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.733 8.909 3.184 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.096 9.430 3.531 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.855 10.142 5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.495 9.715 5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.120 12.120 5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.449 11.344 3.522 1.00 0.00 H new ATOM 0 HE ARG A 64 4.592 11.648 4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.399 12.856 2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.424 13.816 1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.349 12.879 2.802 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.141 13.829 1.541 1.00 0.00 H new ATOM 1030 N ARG A 65 7.812 6.494 4.676 1.00 0.00 N ATOM 1031 CA ARG A 65 9.018 5.951 5.285 1.00 0.00 C ATOM 1032 C ARG A 65 10.198 6.036 4.322 1.00 0.00 C ATOM 1033 O ARG A 65 10.115 5.575 3.183 1.00 0.00 O ATOM 1034 CB ARG A 65 8.785 4.501 5.706 1.00 0.00 C ATOM 1035 CG ARG A 65 9.847 3.957 6.646 1.00 0.00 C ATOM 1036 CD ARG A 65 9.488 2.567 7.140 1.00 0.00 C ATOM 1037 NE ARG A 65 10.375 2.120 8.211 1.00 0.00 N ATOM 1038 CZ ARG A 65 9.963 1.425 9.266 1.00 0.00 C ATOM 1039 NH1 ARG A 65 8.681 1.109 9.399 1.00 0.00 N ATOM 1040 NH2 ARG A 65 10.832 1.048 10.195 1.00 0.00 N ATOM 0 H ARG A 65 7.722 6.303 3.678 1.00 0.00 H new ATOM 0 HA ARG A 65 9.254 6.545 6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.811 4.425 6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.747 3.875 4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.808 3.926 6.133 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.961 4.629 7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.458 2.564 7.497 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.539 1.863 6.310 1.00 0.00 H new ATOM 0 HE ARG A 65 11.366 2.354 8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.008 1.400 8.690 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.369 0.575 10.210 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.818 1.292 10.100 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.514 0.515 11.004 1.00 0.00 H new ATOM 1054 N LEU A 66 11.293 6.628 4.786 1.00 0.00 N ATOM 1055 CA LEU A 66 12.490 6.777 3.966 1.00 0.00 C ATOM 1056 C LEU A 66 13.574 5.791 4.397 1.00 0.00 C ATOM 1057 O LEU A 66 14.029 5.816 5.540 1.00 0.00 O ATOM 1058 CB LEU A 66 13.018 8.211 4.060 1.00 0.00 C ATOM 1059 CG LEU A 66 14.268 8.504 3.227 1.00 0.00 C ATOM 1060 CD1 LEU A 66 13.962 8.394 1.742 1.00 0.00 C ATOM 1061 CD2 LEU A 66 14.813 9.885 3.558 1.00 0.00 C ATOM 0 H LEU A 66 11.377 7.013 5.727 1.00 0.00 H new ATOM 0 HA LEU A 66 12.223 6.561 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.227 8.893 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.238 8.432 5.105 1.00 0.00 H new ATOM 0 HG LEU A 66 15.028 7.762 3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.864 8.606 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.616 7.385 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.186 9.112 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.702 10.079 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 66 14.056 10.637 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 66 15.073 9.930 4.616 1.00 0.00 H new ATOM 1073 N LYS A 67 13.982 4.927 3.472 1.00 0.00 N ATOM 1074 CA LYS A 67 15.012 3.930 3.754 1.00 0.00 C ATOM 1075 C LYS A 67 16.398 4.566 3.775 1.00 0.00 C ATOM 1076 O LYS A 67 16.834 5.164 2.791 1.00 0.00 O ATOM 1077 CB LYS A 67 14.968 2.812 2.713 1.00 0.00 C ATOM 1078 CG LYS A 67 13.648 2.056 2.687 1.00 0.00 C ATOM 1079 CD LYS A 67 13.655 0.948 1.645 1.00 0.00 C ATOM 1080 CE LYS A 67 14.630 -0.162 2.011 1.00 0.00 C ATOM 1081 NZ LYS A 67 14.306 -0.776 3.328 1.00 0.00 N ATOM 0 H LYS A 67 13.616 4.896 2.521 1.00 0.00 H new ATOM 0 HA LYS A 67 14.812 3.509 4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.153 3.238 1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.776 2.109 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.454 1.629 3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.835 2.750 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.652 0.534 1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.924 1.363 0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.611 -0.930 1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.643 0.239 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.778 -1.699 3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.636 -0.153 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.277 -0.905 3.407 1.00 0.00 H new ATOM 1095 N LEU A 68 17.088 4.430 4.904 1.00 0.00 N ATOM 1096 CA LEU A 68 18.428 4.989 5.057 1.00 0.00 C ATOM 1097 C LEU A 68 19.380 3.963 5.668 1.00 0.00 C ATOM 1098 O LEU A 68 20.050 3.247 4.894 1.00 0.00 O ATOM 1099 CB LEU A 68 18.383 6.245 5.931 1.00 0.00 C ATOM 1100 CG LEU A 68 17.571 7.410 5.360 1.00 0.00 C ATOM 1101 CD1 LEU A 68 17.472 8.537 6.375 1.00 0.00 C ATOM 1102 CD2 LEU A 68 18.196 7.913 4.066 1.00 0.00 C ATOM 1103 OXT LEU A 68 19.446 3.887 6.912 1.00 0.00 O ATOM 0 H LEU A 68 16.741 3.937 5.727 1.00 0.00 H new ATOM 0 HA LEU A 68 18.798 5.257 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 68 17.969 5.977 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 68 19.404 6.585 6.103 1.00 0.00 H new ATOM 0 HG LEU A 68 16.565 7.053 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.891 9.357 5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 68 16.981 8.172 7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 68 18.472 8.891 6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 68 17.605 8.741 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 68 19.213 8.253 4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 68 18.218 7.105 3.334 1.00 0.00 H new TER 1115 LEU A 68