USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 MET CE :methyl -154:sc= -3.14 (180deg=-3.8!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= 1.09 (180deg=0.62) USER MOD Single : A 23 SER OG : rot -113:sc= 0.0125 USER MOD Single : A 30 LYS NZ :NH3+ -130:sc= -1.53! (180deg=-5.31!) USER MOD Single : A 42 THR OG1 : rot -42:sc= 0.0788 USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 0.906 (180deg=0.531) USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 2.38 (180deg=2.3) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 6 10.255 15.025 3.816 1.00 0.00 N ATOM 37 CA ILE A 6 9.875 14.846 2.429 1.00 0.00 C ATOM 38 C ILE A 6 10.171 13.413 2.003 1.00 0.00 C ATOM 39 O ILE A 6 11.178 12.832 2.419 1.00 0.00 O ATOM 40 CB ILE A 6 10.608 15.849 1.503 1.00 0.00 C ATOM 41 CG1 ILE A 6 10.094 15.739 0.064 1.00 0.00 C ATOM 42 CG2 ILE A 6 12.117 15.638 1.551 1.00 0.00 C ATOM 43 CD1 ILE A 6 8.634 16.113 -0.095 1.00 0.00 C ATOM 0 HA ILE A 6 8.806 15.041 2.337 1.00 0.00 H new ATOM 0 HB ILE A 6 10.395 16.854 1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.696 16.383 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.238 14.717 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.606 16.355 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 6 12.472 15.782 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.353 14.625 1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.344 16.010 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.020 15.453 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.486 17.145 0.223 1.00 0.00 H new ATOM 55 N GLY A 7 9.286 12.843 1.202 1.00 0.00 N ATOM 56 CA GLY A 7 9.434 11.459 0.816 1.00 0.00 C ATOM 57 C GLY A 7 8.952 10.531 1.905 1.00 0.00 C ATOM 58 O GLY A 7 8.470 10.987 2.939 1.00 0.00 O ATOM 0 H GLY A 7 8.469 13.314 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.872 11.272 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.481 11.251 0.595 1.00 0.00 H new ATOM 62 N MET A 8 9.073 9.236 1.682 1.00 0.00 N ATOM 63 CA MET A 8 8.618 8.267 2.660 1.00 0.00 C ATOM 64 C MET A 8 9.264 6.911 2.428 1.00 0.00 C ATOM 65 O MET A 8 9.422 6.469 1.284 1.00 0.00 O ATOM 66 CB MET A 8 7.093 8.128 2.605 1.00 0.00 C ATOM 67 CG MET A 8 6.580 7.549 1.295 1.00 0.00 C ATOM 68 SD MET A 8 4.789 7.409 1.249 1.00 0.00 S ATOM 69 CE MET A 8 4.577 6.450 -0.245 1.00 0.00 C ATOM 0 H MET A 8 9.480 8.833 0.838 1.00 0.00 H new ATOM 0 HA MET A 8 8.911 8.627 3.646 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.765 7.492 3.427 1.00 0.00 H new ATOM 0 HB3 MET A 8 6.642 9.108 2.761 1.00 0.00 H new ATOM 0 HG2 MET A 8 6.912 8.179 0.470 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.021 6.564 1.141 1.00 0.00 H new ATOM 0 HE1 MET A 8 3.595 6.653 -0.671 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.349 6.723 -0.965 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.658 5.389 -0.011 1.00 0.00 H new ATOM 79 N LYS A 9 9.670 6.272 3.508 1.00 0.00 N ATOM 80 CA LYS A 9 10.086 4.886 3.456 1.00 0.00 C ATOM 81 C LYS A 9 9.075 4.043 4.214 1.00 0.00 C ATOM 82 O LYS A 9 8.975 4.120 5.442 1.00 0.00 O ATOM 83 CB LYS A 9 11.488 4.712 4.048 1.00 0.00 C ATOM 84 CG LYS A 9 12.546 5.553 3.352 1.00 0.00 C ATOM 85 CD LYS A 9 13.944 5.247 3.860 1.00 0.00 C ATOM 86 CE LYS A 9 14.098 5.580 5.335 1.00 0.00 C ATOM 87 NZ LYS A 9 15.497 5.398 5.790 1.00 0.00 N ATOM 0 H LYS A 9 9.720 6.694 4.435 1.00 0.00 H new ATOM 0 HA LYS A 9 10.128 4.560 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.463 4.975 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.772 3.661 3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.503 5.372 2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.328 6.610 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.165 4.191 3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.673 5.815 3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.788 6.610 5.511 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.437 4.944 5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.567 5.634 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.783 4.409 5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.124 6.024 5.245 1.00 0.00 H new ATOM 101 N PHE A 10 8.322 3.250 3.479 1.00 0.00 N ATOM 102 CA PHE A 10 7.250 2.461 4.053 1.00 0.00 C ATOM 103 C PHE A 10 7.482 0.996 3.744 1.00 0.00 C ATOM 104 O PHE A 10 8.177 0.667 2.788 1.00 0.00 O ATOM 105 CB PHE A 10 5.889 2.909 3.497 1.00 0.00 C ATOM 106 CG PHE A 10 5.714 2.650 2.022 1.00 0.00 C ATOM 107 CD1 PHE A 10 6.311 3.472 1.077 1.00 0.00 C ATOM 108 CD2 PHE A 10 4.947 1.581 1.586 1.00 0.00 C ATOM 109 CE1 PHE A 10 6.147 3.230 -0.273 1.00 0.00 C ATOM 110 CE2 PHE A 10 4.781 1.336 0.235 1.00 0.00 C ATOM 111 CZ PHE A 10 5.381 2.162 -0.695 1.00 0.00 C ATOM 0 H PHE A 10 8.435 3.134 2.472 1.00 0.00 H new ATOM 0 HA PHE A 10 7.242 2.608 5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.098 2.394 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.764 3.975 3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.910 4.310 1.400 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.474 0.933 2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.618 3.877 -0.999 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.182 0.499 -0.093 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.251 1.973 -1.750 1.00 0.00 H new ATOM 121 N THR A 11 6.910 0.117 4.535 1.00 0.00 N ATOM 122 CA THR A 11 7.072 -1.299 4.291 1.00 0.00 C ATOM 123 C THR A 11 5.739 -1.928 3.905 1.00 0.00 C ATOM 124 O THR A 11 4.784 -1.915 4.685 1.00 0.00 O ATOM 125 CB THR A 11 7.653 -2.016 5.521 1.00 0.00 C ATOM 126 OG1 THR A 11 8.755 -1.264 6.046 1.00 0.00 O ATOM 127 CG2 THR A 11 8.123 -3.414 5.156 1.00 0.00 C ATOM 0 H THR A 11 6.335 0.353 5.344 1.00 0.00 H new ATOM 0 HA THR A 11 7.775 -1.415 3.466 1.00 0.00 H new ATOM 0 HB THR A 11 6.870 -2.095 6.275 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.121 -1.724 6.830 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.530 -3.903 6.041 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.281 -3.993 4.776 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.895 -3.350 4.389 1.00 0.00 H new ATOM 135 N VAL A 12 5.678 -2.464 2.699 1.00 0.00 N ATOM 136 CA VAL A 12 4.475 -3.116 2.213 1.00 0.00 C ATOM 137 C VAL A 12 4.638 -4.628 2.289 1.00 0.00 C ATOM 138 O VAL A 12 5.590 -5.197 1.751 1.00 0.00 O ATOM 139 CB VAL A 12 4.121 -2.679 0.766 1.00 0.00 C ATOM 140 CG1 VAL A 12 5.291 -2.887 -0.182 1.00 0.00 C ATOM 141 CG2 VAL A 12 2.888 -3.420 0.267 1.00 0.00 C ATOM 0 H VAL A 12 6.452 -2.460 2.035 1.00 0.00 H new ATOM 0 HA VAL A 12 3.648 -2.809 2.853 1.00 0.00 H new ATOM 0 HB VAL A 12 3.899 -1.612 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.007 -2.570 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.143 -2.298 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.563 -3.942 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.657 -3.099 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.081 -4.493 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.042 -3.199 0.918 1.00 0.00 H new ATOM 151 N ILE A 13 3.728 -5.275 2.988 1.00 0.00 N ATOM 152 CA ILE A 13 3.783 -6.710 3.137 1.00 0.00 C ATOM 153 C ILE A 13 2.885 -7.362 2.087 1.00 0.00 C ATOM 154 O ILE A 13 1.695 -7.050 1.975 1.00 0.00 O ATOM 155 CB ILE A 13 3.413 -7.141 4.588 1.00 0.00 C ATOM 156 CG1 ILE A 13 3.703 -8.632 4.833 1.00 0.00 C ATOM 157 CG2 ILE A 13 1.964 -6.814 4.916 1.00 0.00 C ATOM 158 CD1 ILE A 13 2.651 -9.586 4.301 1.00 0.00 C ATOM 0 H ILE A 13 2.943 -4.828 3.461 1.00 0.00 H new ATOM 0 HA ILE A 13 4.804 -7.054 2.971 1.00 0.00 H new ATOM 0 HB ILE A 13 4.049 -6.564 5.260 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.661 -8.880 4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.810 -8.794 5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.742 -7.129 5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.804 -5.740 4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.307 -7.339 4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.945 -10.612 4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.693 -9.373 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.558 -9.460 3.222 1.00 0.00 H new ATOM 170 N THR A 14 3.486 -8.221 1.284 1.00 0.00 N ATOM 171 CA THR A 14 2.781 -8.904 0.214 1.00 0.00 C ATOM 172 C THR A 14 3.016 -10.411 0.336 1.00 0.00 C ATOM 173 O THR A 14 3.787 -10.849 1.194 1.00 0.00 O ATOM 174 CB THR A 14 3.264 -8.387 -1.162 1.00 0.00 C ATOM 175 OG1 THR A 14 3.643 -7.010 -1.041 1.00 0.00 O ATOM 176 CG2 THR A 14 2.173 -8.506 -2.218 1.00 0.00 C ATOM 0 H THR A 14 4.474 -8.465 1.355 1.00 0.00 H new ATOM 0 HA THR A 14 1.713 -8.701 0.296 1.00 0.00 H new ATOM 0 HB THR A 14 4.113 -8.996 -1.473 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.952 -6.678 -1.910 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.547 -8.134 -3.172 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.883 -9.551 -2.325 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.307 -7.918 -1.914 1.00 0.00 H new ATOM 184 N ASP A 15 2.369 -11.199 -0.512 1.00 0.00 N ATOM 185 CA ASP A 15 2.463 -12.658 -0.441 1.00 0.00 C ATOM 186 C ASP A 15 3.860 -13.151 -0.809 1.00 0.00 C ATOM 187 O ASP A 15 4.224 -14.286 -0.501 1.00 0.00 O ATOM 188 CB ASP A 15 1.425 -13.304 -1.362 1.00 0.00 C ATOM 189 CG ASP A 15 1.690 -13.026 -2.828 1.00 0.00 C ATOM 190 OD1 ASP A 15 1.803 -11.842 -3.201 1.00 0.00 O ATOM 191 OD2 ASP A 15 1.788 -13.993 -3.615 1.00 0.00 O ATOM 0 H ASP A 15 1.770 -10.854 -1.262 1.00 0.00 H new ATOM 0 HA ASP A 15 2.263 -12.949 0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.419 -14.381 -1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.433 -12.935 -1.100 1.00 0.00 H new ATOM 196 N ASP A 16 4.643 -12.306 -1.465 1.00 0.00 N ATOM 197 CA ASP A 16 6.001 -12.672 -1.846 1.00 0.00 C ATOM 198 C ASP A 16 6.997 -12.268 -0.764 1.00 0.00 C ATOM 199 O ASP A 16 8.174 -12.618 -0.827 1.00 0.00 O ATOM 200 CB ASP A 16 6.389 -12.027 -3.179 1.00 0.00 C ATOM 201 CG ASP A 16 6.520 -10.519 -3.092 1.00 0.00 C ATOM 202 OD1 ASP A 16 5.480 -9.831 -3.099 1.00 0.00 O ATOM 203 OD2 ASP A 16 7.664 -10.016 -3.040 1.00 0.00 O ATOM 0 H ASP A 16 4.363 -11.366 -1.744 1.00 0.00 H new ATOM 0 HA ASP A 16 6.030 -13.755 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.335 -12.449 -3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.640 -12.278 -3.930 1.00 0.00 H new ATOM 208 N GLY A 17 6.516 -11.531 0.228 1.00 0.00 N ATOM 209 CA GLY A 17 7.370 -11.103 1.314 1.00 0.00 C ATOM 210 C GLY A 17 7.064 -9.689 1.757 1.00 0.00 C ATOM 211 O GLY A 17 6.159 -9.046 1.223 1.00 0.00 O ATOM 0 H GLY A 17 5.546 -11.222 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.248 -11.781 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.412 -11.167 1.001 1.00 0.00 H new ATOM 215 N LYS A 18 7.810 -9.206 2.735 1.00 0.00 N ATOM 216 CA LYS A 18 7.604 -7.868 3.262 1.00 0.00 C ATOM 217 C LYS A 18 8.644 -6.921 2.671 1.00 0.00 C ATOM 218 O LYS A 18 9.831 -7.014 2.980 1.00 0.00 O ATOM 219 CB LYS A 18 7.693 -7.892 4.788 1.00 0.00 C ATOM 220 CG LYS A 18 7.133 -6.650 5.461 1.00 0.00 C ATOM 221 CD LYS A 18 7.175 -6.769 6.977 1.00 0.00 C ATOM 222 CE LYS A 18 6.370 -7.960 7.465 1.00 0.00 C ATOM 223 NZ LYS A 18 6.413 -8.090 8.945 1.00 0.00 N ATOM 0 H LYS A 18 8.567 -9.723 3.182 1.00 0.00 H new ATOM 0 HA LYS A 18 6.612 -7.512 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.158 -8.766 5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.737 -8.011 5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.705 -5.776 5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.105 -6.491 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.209 -6.868 7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.784 -5.856 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.335 -7.856 7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.757 -8.871 7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.851 -8.915 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.398 -8.215 9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.020 -7.231 9.380 1.00 0.00 H new ATOM 237 N LYS A 19 8.193 -6.018 1.816 1.00 0.00 N ATOM 238 CA LYS A 19 9.095 -5.186 1.034 1.00 0.00 C ATOM 239 C LYS A 19 9.103 -3.748 1.539 1.00 0.00 C ATOM 240 O LYS A 19 8.091 -3.053 1.468 1.00 0.00 O ATOM 241 CB LYS A 19 8.668 -5.199 -0.437 1.00 0.00 C ATOM 242 CG LYS A 19 7.990 -6.493 -0.865 1.00 0.00 C ATOM 243 CD LYS A 19 7.582 -6.463 -2.330 1.00 0.00 C ATOM 244 CE LYS A 19 8.775 -6.658 -3.252 1.00 0.00 C ATOM 245 NZ LYS A 19 9.406 -7.988 -3.049 1.00 0.00 N ATOM 0 H LYS A 19 7.203 -5.841 1.645 1.00 0.00 H new ATOM 0 HA LYS A 19 10.100 -5.595 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.988 -4.366 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.545 -5.035 -1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.666 -7.331 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.109 -6.663 -0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.845 -7.244 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.101 -5.511 -2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.455 -6.560 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.510 -5.874 -3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.933 -8.256 -3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.058 -7.943 -2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.669 -8.697 -2.860 1.00 0.00 H new ATOM 259 N ILE A 20 10.236 -3.303 2.061 1.00 0.00 N ATOM 260 CA ILE A 20 10.391 -1.909 2.438 1.00 0.00 C ATOM 261 C ILE A 20 10.766 -1.089 1.197 1.00 0.00 C ATOM 262 O ILE A 20 11.763 -1.360 0.527 1.00 0.00 O ATOM 263 CB ILE A 20 11.430 -1.741 3.593 1.00 0.00 C ATOM 264 CG1 ILE A 20 11.432 -0.306 4.157 1.00 0.00 C ATOM 265 CG2 ILE A 20 12.830 -2.154 3.152 1.00 0.00 C ATOM 266 CD1 ILE A 20 12.206 0.709 3.339 1.00 0.00 C ATOM 0 H ILE A 20 11.057 -3.884 2.232 1.00 0.00 H new ATOM 0 HA ILE A 20 9.444 -1.534 2.827 1.00 0.00 H new ATOM 0 HB ILE A 20 11.122 -2.410 4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.400 0.034 4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.847 -0.329 5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.526 -2.024 3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.821 -3.200 2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.145 -1.534 2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 20 12.146 1.686 3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 20 13.250 0.402 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 20 11.780 0.771 2.338 1.00 0.00 H new ATOM 278 N LEU A 21 9.930 -0.114 0.874 1.00 0.00 N ATOM 279 CA LEU A 21 10.125 0.708 -0.310 1.00 0.00 C ATOM 280 C LEU A 21 10.311 2.165 0.082 1.00 0.00 C ATOM 281 O LEU A 21 9.727 2.635 1.060 1.00 0.00 O ATOM 282 CB LEU A 21 8.928 0.579 -1.261 1.00 0.00 C ATOM 283 CG LEU A 21 8.663 -0.827 -1.803 1.00 0.00 C ATOM 284 CD1 LEU A 21 7.424 -0.831 -2.686 1.00 0.00 C ATOM 285 CD2 LEU A 21 9.869 -1.339 -2.579 1.00 0.00 C ATOM 0 H LEU A 21 9.104 0.128 1.421 1.00 0.00 H new ATOM 0 HA LEU A 21 11.022 0.358 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.034 0.923 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.083 1.251 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 21 8.490 -1.493 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.249 -1.839 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.561 -0.507 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.572 -0.150 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.661 -2.340 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.073 -0.671 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.737 -1.373 -1.921 1.00 0.00 H new ATOM 297 N GLU A 22 11.128 2.874 -0.673 1.00 0.00 N ATOM 298 CA GLU A 22 11.347 4.289 -0.428 1.00 0.00 C ATOM 299 C GLU A 22 10.981 5.114 -1.654 1.00 0.00 C ATOM 300 O GLU A 22 11.198 4.695 -2.792 1.00 0.00 O ATOM 301 CB GLU A 22 12.796 4.553 0.016 1.00 0.00 C ATOM 302 CG GLU A 22 13.860 3.746 -0.725 1.00 0.00 C ATOM 303 CD GLU A 22 14.122 4.241 -2.131 1.00 0.00 C ATOM 304 OE1 GLU A 22 14.613 5.382 -2.285 1.00 0.00 O ATOM 305 OE2 GLU A 22 13.858 3.483 -3.090 1.00 0.00 O ATOM 0 H GLU A 22 11.652 2.494 -1.462 1.00 0.00 H new ATOM 0 HA GLU A 22 10.692 4.599 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.011 5.614 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.877 4.339 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.790 3.778 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.549 2.702 -0.768 1.00 0.00 H new ATOM 312 N SER A 23 10.376 6.262 -1.417 1.00 0.00 N ATOM 313 CA SER A 23 10.034 7.176 -2.489 1.00 0.00 C ATOM 314 C SER A 23 10.395 8.596 -2.080 1.00 0.00 C ATOM 315 O SER A 23 10.317 8.944 -0.899 1.00 0.00 O ATOM 316 CB SER A 23 8.542 7.078 -2.825 1.00 0.00 C ATOM 317 OG SER A 23 8.220 7.842 -3.976 1.00 0.00 O ATOM 0 H SER A 23 10.110 6.585 -0.487 1.00 0.00 H new ATOM 0 HA SER A 23 10.599 6.906 -3.381 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.273 6.035 -2.992 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.953 7.428 -1.977 1.00 0.00 H new ATOM 0 HG SER A 23 7.638 8.588 -3.721 1.00 0.00 H new ATOM 323 N GLY A 24 10.792 9.409 -3.052 1.00 0.00 N ATOM 324 CA GLY A 24 11.173 10.778 -2.771 1.00 0.00 C ATOM 325 C GLY A 24 9.979 11.678 -2.525 1.00 0.00 C ATOM 326 O GLY A 24 10.134 12.821 -2.090 1.00 0.00 O ATOM 0 H GLY A 24 10.857 9.141 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.824 10.798 -1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.751 11.169 -3.608 1.00 0.00 H new ATOM 330 N ALA A 25 8.785 11.166 -2.792 1.00 0.00 N ATOM 331 CA ALA A 25 7.566 11.933 -2.594 1.00 0.00 C ATOM 332 C ALA A 25 6.491 11.073 -1.938 1.00 0.00 C ATOM 333 O ALA A 25 6.430 9.866 -2.175 1.00 0.00 O ATOM 334 CB ALA A 25 7.067 12.486 -3.921 1.00 0.00 C ATOM 0 H ALA A 25 8.636 10.221 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 25 7.789 12.769 -1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.154 13.058 -3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.828 13.135 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.861 11.662 -4.604 1.00 0.00 H new ATOM 340 N PRO A 26 5.646 11.677 -1.087 1.00 0.00 N ATOM 341 CA PRO A 26 4.524 10.971 -0.463 1.00 0.00 C ATOM 342 C PRO A 26 3.517 10.500 -1.506 1.00 0.00 C ATOM 343 O PRO A 26 3.105 11.264 -2.380 1.00 0.00 O ATOM 344 CB PRO A 26 3.897 12.019 0.465 1.00 0.00 C ATOM 345 CG PRO A 26 4.360 13.331 -0.064 1.00 0.00 C ATOM 346 CD PRO A 26 5.718 13.082 -0.660 1.00 0.00 C ATOM 0 HA PRO A 26 4.842 10.073 0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.809 11.952 0.457 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.218 11.874 1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.669 13.715 -0.815 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.413 14.075 0.731 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.917 13.748 -1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.513 13.241 0.069 1.00 0.00 H new ATOM 354 N ARG A 27 3.129 9.242 -1.418 1.00 0.00 N ATOM 355 CA ARG A 27 2.242 8.656 -2.407 1.00 0.00 C ATOM 356 C ARG A 27 0.997 8.096 -1.725 1.00 0.00 C ATOM 357 O ARG A 27 1.026 7.775 -0.537 1.00 0.00 O ATOM 358 CB ARG A 27 2.974 7.546 -3.172 1.00 0.00 C ATOM 359 CG ARG A 27 2.309 7.153 -4.480 1.00 0.00 C ATOM 360 CD ARG A 27 2.531 8.201 -5.556 1.00 0.00 C ATOM 361 NE ARG A 27 3.896 8.182 -6.077 1.00 0.00 N ATOM 362 CZ ARG A 27 4.513 9.241 -6.591 1.00 0.00 C ATOM 363 NH1 ARG A 27 3.892 10.416 -6.642 1.00 0.00 N ATOM 364 NH2 ARG A 27 5.749 9.127 -7.060 1.00 0.00 N ATOM 0 H ARG A 27 3.413 8.606 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 27 1.936 9.427 -3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.993 7.873 -3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.045 6.665 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.705 6.195 -4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.240 7.017 -4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.830 8.033 -6.374 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.314 9.188 -5.148 1.00 0.00 H new ATOM 0 HE ARG A 27 4.408 7.300 -6.044 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.940 10.506 -6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.367 11.227 -7.037 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.226 8.226 -7.026 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.222 9.940 -7.454 1.00 0.00 H new ATOM 378 N ARG A 28 -0.095 7.991 -2.469 1.00 0.00 N ATOM 379 CA ARG A 28 -1.332 7.449 -1.928 1.00 0.00 C ATOM 380 C ARG A 28 -1.560 6.025 -2.425 1.00 0.00 C ATOM 381 O ARG A 28 -0.909 5.583 -3.374 1.00 0.00 O ATOM 382 CB ARG A 28 -2.516 8.358 -2.276 1.00 0.00 C ATOM 383 CG ARG A 28 -2.520 9.639 -1.458 1.00 0.00 C ATOM 384 CD ARG A 28 -3.692 10.545 -1.789 1.00 0.00 C ATOM 385 NE ARG A 28 -3.852 11.589 -0.777 1.00 0.00 N ATOM 386 CZ ARG A 28 -4.766 12.552 -0.827 1.00 0.00 C ATOM 387 NH1 ARG A 28 -5.560 12.674 -1.883 1.00 0.00 N ATOM 388 NH2 ARG A 28 -4.871 13.405 0.184 1.00 0.00 N ATOM 0 H ARG A 28 -0.149 8.274 -3.448 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.248 7.411 -0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.481 8.607 -3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.448 7.818 -2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.549 9.388 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.589 10.179 -1.632 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.538 11.002 -2.766 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.606 9.954 -1.854 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.218 11.577 0.022 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.472 12.025 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.259 13.416 -1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.253 13.318 0.991 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.570 14.147 0.154 1.00 0.00 H new ATOM 402 N ILE A 29 -2.477 5.317 -1.770 1.00 0.00 N ATOM 403 CA ILE A 29 -2.738 3.904 -2.054 1.00 0.00 C ATOM 404 C ILE A 29 -3.060 3.667 -3.530 1.00 0.00 C ATOM 405 O ILE A 29 -2.399 2.865 -4.189 1.00 0.00 O ATOM 406 CB ILE A 29 -3.896 3.363 -1.183 1.00 0.00 C ATOM 407 CG1 ILE A 29 -3.526 3.442 0.305 1.00 0.00 C ATOM 408 CG2 ILE A 29 -4.248 1.934 -1.575 1.00 0.00 C ATOM 409 CD1 ILE A 29 -2.283 2.657 0.666 1.00 0.00 C ATOM 0 H ILE A 29 -3.060 5.704 -1.028 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.823 3.365 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.774 3.985 -1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.377 4.487 0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.363 3.073 0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.065 1.576 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.555 1.909 -2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.377 1.294 -1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.085 2.760 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.434 1.605 0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.434 3.040 0.100 1.00 0.00 H new ATOM 421 N LYS A 30 -4.071 4.370 -4.037 1.00 0.00 N ATOM 422 CA LYS A 30 -4.475 4.249 -5.439 1.00 0.00 C ATOM 423 C LYS A 30 -3.291 4.463 -6.366 1.00 0.00 C ATOM 424 O LYS A 30 -3.142 3.779 -7.372 1.00 0.00 O ATOM 425 CB LYS A 30 -5.550 5.281 -5.773 1.00 0.00 C ATOM 426 CG LYS A 30 -5.985 5.249 -7.232 1.00 0.00 C ATOM 427 CD LYS A 30 -6.585 6.572 -7.690 1.00 0.00 C ATOM 428 CE LYS A 30 -5.528 7.668 -7.824 1.00 0.00 C ATOM 429 NZ LYS A 30 -5.105 8.224 -6.506 1.00 0.00 N ATOM 0 H LYS A 30 -4.628 5.032 -3.497 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.868 3.243 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.419 5.108 -5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.174 6.276 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.127 5.007 -7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.717 4.454 -7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.083 6.431 -8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.347 6.889 -6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.657 7.265 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.922 8.473 -8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.151 9.263 -6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.739 7.871 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.130 7.927 -6.301 1.00 0.00 H new ATOM 443 N ASP A 31 -2.456 5.422 -6.013 1.00 0.00 N ATOM 444 CA ASP A 31 -1.320 5.802 -6.833 1.00 0.00 C ATOM 445 C ASP A 31 -0.316 4.657 -6.939 1.00 0.00 C ATOM 446 O ASP A 31 0.057 4.253 -8.041 1.00 0.00 O ATOM 447 CB ASP A 31 -0.663 7.054 -6.250 1.00 0.00 C ATOM 448 CG ASP A 31 -1.592 8.255 -6.274 1.00 0.00 C ATOM 449 OD1 ASP A 31 -2.562 8.273 -5.489 1.00 0.00 O ATOM 450 OD2 ASP A 31 -1.361 9.185 -7.076 1.00 0.00 O ATOM 0 H ASP A 31 -2.545 5.959 -5.151 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.670 6.024 -7.841 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.355 6.856 -5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.240 7.284 -6.815 1.00 0.00 H new ATOM 455 N VAL A 32 0.095 4.121 -5.793 1.00 0.00 N ATOM 456 CA VAL A 32 1.037 3.006 -5.760 1.00 0.00 C ATOM 457 C VAL A 32 0.438 1.773 -6.432 1.00 0.00 C ATOM 458 O VAL A 32 1.074 1.134 -7.274 1.00 0.00 O ATOM 459 CB VAL A 32 1.436 2.647 -4.311 1.00 0.00 C ATOM 460 CG1 VAL A 32 2.414 1.480 -4.290 1.00 0.00 C ATOM 461 CG2 VAL A 32 2.029 3.852 -3.601 1.00 0.00 C ATOM 0 H VAL A 32 -0.210 4.441 -4.874 1.00 0.00 H new ATOM 0 HA VAL A 32 1.928 3.322 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 32 0.534 2.345 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.680 1.246 -3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.950 0.608 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.313 1.749 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.303 3.576 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.916 4.189 -4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.294 4.656 -3.574 1.00 0.00 H new ATOM 471 N LEU A 33 -0.799 1.463 -6.066 1.00 0.00 N ATOM 472 CA LEU A 33 -1.486 0.286 -6.577 1.00 0.00 C ATOM 473 C LEU A 33 -1.714 0.408 -8.083 1.00 0.00 C ATOM 474 O LEU A 33 -1.589 -0.566 -8.830 1.00 0.00 O ATOM 475 CB LEU A 33 -2.824 0.122 -5.853 1.00 0.00 C ATOM 476 CG LEU A 33 -3.440 -1.273 -5.916 1.00 0.00 C ATOM 477 CD1 LEU A 33 -2.572 -2.269 -5.165 1.00 0.00 C ATOM 478 CD2 LEU A 33 -4.848 -1.252 -5.345 1.00 0.00 C ATOM 0 H LEU A 33 -1.351 2.017 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.866 -0.592 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.686 0.392 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.535 0.833 -6.274 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.495 -1.585 -6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.024 -3.259 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.580 -2.299 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.488 -1.965 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.276 -2.253 -5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.814 -0.924 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.465 -0.564 -5.923 1.00 0.00 H new ATOM 490 N GLY A 34 -2.035 1.619 -8.515 1.00 0.00 N ATOM 491 CA GLY A 34 -2.299 1.880 -9.914 1.00 0.00 C ATOM 492 C GLY A 34 -1.055 1.800 -10.780 1.00 0.00 C ATOM 493 O GLY A 34 -1.096 1.230 -11.870 1.00 0.00 O ATOM 0 H GLY A 34 -2.118 2.436 -7.910 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.035 1.163 -10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.742 2.871 -10.015 1.00 0.00 H new ATOM 497 N GLU A 35 0.053 2.361 -10.297 1.00 0.00 N ATOM 498 CA GLU A 35 1.303 2.367 -11.059 1.00 0.00 C ATOM 499 C GLU A 35 1.876 0.961 -11.192 1.00 0.00 C ATOM 500 O GLU A 35 2.515 0.634 -12.191 1.00 0.00 O ATOM 501 CB GLU A 35 2.334 3.298 -10.419 1.00 0.00 C ATOM 502 CG GLU A 35 1.944 4.765 -10.481 1.00 0.00 C ATOM 503 CD GLU A 35 3.067 5.691 -10.056 1.00 0.00 C ATOM 504 OE1 GLU A 35 3.898 6.055 -10.915 1.00 0.00 O ATOM 505 OE2 GLU A 35 3.112 6.077 -8.871 1.00 0.00 O ATOM 0 H GLU A 35 0.112 2.816 -9.386 1.00 0.00 H new ATOM 0 HA GLU A 35 1.073 2.740 -12.057 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.474 3.011 -9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.293 3.163 -10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.641 5.013 -11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.078 4.933 -9.840 1.00 0.00 H new ATOM 512 N LEU A 36 1.640 0.127 -10.186 1.00 0.00 N ATOM 513 CA LEU A 36 2.069 -1.267 -10.239 1.00 0.00 C ATOM 514 C LEU A 36 1.051 -2.105 -11.006 1.00 0.00 C ATOM 515 O LEU A 36 1.260 -3.296 -11.241 1.00 0.00 O ATOM 516 CB LEU A 36 2.253 -1.831 -8.828 1.00 0.00 C ATOM 517 CG LEU A 36 3.318 -1.132 -7.979 1.00 0.00 C ATOM 518 CD1 LEU A 36 3.364 -1.737 -6.584 1.00 0.00 C ATOM 519 CD2 LEU A 36 4.684 -1.226 -8.647 1.00 0.00 C ATOM 0 H LEU A 36 1.156 0.389 -9.327 1.00 0.00 H new ATOM 0 HA LEU A 36 3.027 -1.309 -10.758 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.299 -1.774 -8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.510 -2.887 -8.907 1.00 0.00 H new ATOM 0 HG LEU A 36 3.052 -0.079 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.126 -1.230 -5.992 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.393 -1.618 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.606 -2.797 -6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.427 -0.723 -8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.960 -2.274 -8.766 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.644 -0.748 -9.626 1.00 0.00 H new ATOM 531 N GLU A 37 -0.042 -1.451 -11.395 1.00 0.00 N ATOM 532 CA GLU A 37 -1.142 -2.080 -12.119 1.00 0.00 C ATOM 533 C GLU A 37 -1.676 -3.290 -11.356 1.00 0.00 C ATOM 534 O GLU A 37 -1.604 -4.429 -11.820 1.00 0.00 O ATOM 535 CB GLU A 37 -0.719 -2.462 -13.542 1.00 0.00 C ATOM 536 CG GLU A 37 -1.878 -2.911 -14.421 1.00 0.00 C ATOM 537 CD GLU A 37 -1.462 -3.166 -15.852 1.00 0.00 C ATOM 538 OE1 GLU A 37 -0.783 -4.181 -16.106 1.00 0.00 O ATOM 539 OE2 GLU A 37 -1.823 -2.359 -16.732 1.00 0.00 O ATOM 0 H GLU A 37 -0.189 -0.458 -11.214 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.951 -1.354 -12.199 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.230 -1.607 -14.009 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.019 -3.263 -13.490 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.312 -3.821 -14.006 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.658 -2.149 -14.404 1.00 0.00 H new ATOM 546 N ILE A 38 -2.181 -3.032 -10.161 1.00 0.00 N ATOM 547 CA ILE A 38 -2.817 -4.062 -9.365 1.00 0.00 C ATOM 548 C ILE A 38 -4.283 -3.707 -9.152 1.00 0.00 C ATOM 549 O ILE A 38 -4.599 -2.702 -8.518 1.00 0.00 O ATOM 550 CB ILE A 38 -2.123 -4.242 -7.996 1.00 0.00 C ATOM 551 CG1 ILE A 38 -0.628 -4.527 -8.187 1.00 0.00 C ATOM 552 CG2 ILE A 38 -2.783 -5.371 -7.210 1.00 0.00 C ATOM 553 CD1 ILE A 38 0.145 -4.624 -6.887 1.00 0.00 C ATOM 0 H ILE A 38 -2.161 -2.112 -9.721 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.732 -5.004 -9.907 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.229 -3.317 -7.430 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.513 -5.460 -8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.192 -3.738 -8.800 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.283 -5.485 -6.248 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.834 -5.134 -7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.704 -6.301 -7.773 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.194 -4.827 -7.102 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.061 -3.683 -6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.264 -5.432 -6.280 1.00 0.00 H new ATOM 565 N PRO A 39 -5.193 -4.514 -9.708 1.00 0.00 N ATOM 566 CA PRO A 39 -6.634 -4.276 -9.601 1.00 0.00 C ATOM 567 C PRO A 39 -7.118 -4.257 -8.155 1.00 0.00 C ATOM 568 O PRO A 39 -7.101 -5.282 -7.472 1.00 0.00 O ATOM 569 CB PRO A 39 -7.254 -5.458 -10.353 1.00 0.00 C ATOM 570 CG PRO A 39 -6.167 -5.973 -11.231 1.00 0.00 C ATOM 571 CD PRO A 39 -4.890 -5.725 -10.486 1.00 0.00 C ATOM 0 HA PRO A 39 -6.911 -3.303 -10.007 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.600 -6.227 -9.662 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.118 -5.143 -10.939 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.300 -7.035 -11.436 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.165 -5.460 -12.193 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.629 -6.564 -9.841 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.050 -5.570 -11.164 1.00 0.00 H new ATOM 579 N ILE A 40 -7.560 -3.090 -7.699 1.00 0.00 N ATOM 580 CA ILE A 40 -8.081 -2.932 -6.344 1.00 0.00 C ATOM 581 C ILE A 40 -9.338 -3.786 -6.147 1.00 0.00 C ATOM 582 O ILE A 40 -9.717 -4.118 -5.026 1.00 0.00 O ATOM 583 CB ILE A 40 -8.393 -1.444 -6.037 1.00 0.00 C ATOM 584 CG1 ILE A 40 -8.836 -1.270 -4.580 1.00 0.00 C ATOM 585 CG2 ILE A 40 -9.456 -0.908 -6.991 1.00 0.00 C ATOM 586 CD1 ILE A 40 -9.083 0.171 -4.187 1.00 0.00 C ATOM 0 H ILE A 40 -7.568 -2.233 -8.252 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.313 -3.272 -5.649 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.479 -0.868 -6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.748 -1.844 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.073 -1.690 -3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.660 0.137 -6.758 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.098 -0.988 -8.017 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.371 -1.490 -6.880 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -9.393 0.215 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.166 0.746 -4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -9.868 0.590 -4.817 1.00 0.00 H new ATOM 598 N GLU A 41 -9.962 -4.155 -7.255 1.00 0.00 N ATOM 599 CA GLU A 41 -11.146 -4.999 -7.239 1.00 0.00 C ATOM 600 C GLU A 41 -10.829 -6.385 -6.670 1.00 0.00 C ATOM 601 O GLU A 41 -11.682 -7.025 -6.054 1.00 0.00 O ATOM 602 CB GLU A 41 -11.687 -5.135 -8.664 1.00 0.00 C ATOM 603 CG GLU A 41 -13.038 -5.822 -8.763 1.00 0.00 C ATOM 604 CD GLU A 41 -13.456 -6.061 -10.198 1.00 0.00 C ATOM 605 OE1 GLU A 41 -13.705 -5.081 -10.925 1.00 0.00 O ATOM 606 OE2 GLU A 41 -13.528 -7.238 -10.611 1.00 0.00 O ATOM 0 H GLU A 41 -9.662 -3.878 -8.190 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.896 -4.535 -6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.766 -4.141 -9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.966 -5.693 -9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.998 -6.775 -8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.791 -5.212 -8.264 1.00 0.00 H new ATOM 613 N THR A 42 -9.594 -6.836 -6.859 1.00 0.00 N ATOM 614 CA THR A 42 -9.234 -8.209 -6.539 1.00 0.00 C ATOM 615 C THR A 42 -8.340 -8.285 -5.292 1.00 0.00 C ATOM 616 O THR A 42 -7.880 -9.364 -4.906 1.00 0.00 O ATOM 617 CB THR A 42 -8.538 -8.880 -7.753 1.00 0.00 C ATOM 618 OG1 THR A 42 -8.589 -10.309 -7.646 1.00 0.00 O ATOM 619 CG2 THR A 42 -7.087 -8.436 -7.882 1.00 0.00 C ATOM 0 H THR A 42 -8.829 -6.272 -7.231 1.00 0.00 H new ATOM 0 HA THR A 42 -10.153 -8.751 -6.315 1.00 0.00 H new ATOM 0 HB THR A 42 -9.079 -8.565 -8.645 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.397 -10.575 -6.723 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.632 -8.926 -8.743 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.048 -7.355 -8.017 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.541 -8.709 -6.979 1.00 0.00 H new ATOM 627 N VAL A 43 -8.115 -7.147 -4.643 1.00 0.00 N ATOM 628 CA VAL A 43 -7.268 -7.107 -3.453 1.00 0.00 C ATOM 629 C VAL A 43 -7.885 -6.242 -2.357 1.00 0.00 C ATOM 630 O VAL A 43 -8.812 -5.472 -2.601 1.00 0.00 O ATOM 631 CB VAL A 43 -5.846 -6.580 -3.761 1.00 0.00 C ATOM 632 CG1 VAL A 43 -5.110 -7.517 -4.705 1.00 0.00 C ATOM 633 CG2 VAL A 43 -5.898 -5.174 -4.340 1.00 0.00 C ATOM 0 H VAL A 43 -8.504 -6.245 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.192 -8.138 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.296 -6.542 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.114 -7.123 -4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.026 -8.502 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.663 -7.598 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.885 -4.828 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.475 -5.182 -5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.371 -4.503 -3.623 1.00 0.00 H new ATOM 643 N VAL A 44 -7.371 -6.391 -1.147 1.00 0.00 N ATOM 644 CA VAL A 44 -7.790 -5.587 -0.012 1.00 0.00 C ATOM 645 C VAL A 44 -6.579 -4.881 0.586 1.00 0.00 C ATOM 646 O VAL A 44 -5.558 -5.517 0.863 1.00 0.00 O ATOM 647 CB VAL A 44 -8.466 -6.449 1.079 1.00 0.00 C ATOM 648 CG1 VAL A 44 -8.940 -5.588 2.237 1.00 0.00 C ATOM 649 CG2 VAL A 44 -9.623 -7.242 0.500 1.00 0.00 C ATOM 0 H VAL A 44 -6.649 -7.076 -0.924 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.517 -4.858 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.723 -7.151 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.412 -6.219 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.088 -5.071 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.661 -4.855 1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.083 -7.841 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.363 -6.557 0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.255 -7.899 -0.288 1.00 0.00 H new ATOM 659 N VAL A 45 -6.690 -3.575 0.778 1.00 0.00 N ATOM 660 CA VAL A 45 -5.571 -2.780 1.261 1.00 0.00 C ATOM 661 C VAL A 45 -5.775 -2.348 2.712 1.00 0.00 C ATOM 662 O VAL A 45 -6.834 -1.832 3.085 1.00 0.00 O ATOM 663 CB VAL A 45 -5.347 -1.527 0.386 1.00 0.00 C ATOM 664 CG1 VAL A 45 -4.125 -0.751 0.859 1.00 0.00 C ATOM 665 CG2 VAL A 45 -5.204 -1.917 -1.079 1.00 0.00 C ATOM 0 H VAL A 45 -7.543 -3.043 0.607 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.689 -3.418 1.201 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.219 -0.880 0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.986 0.127 0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.271 -0.437 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.242 -1.387 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.047 -1.021 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.352 -2.587 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.111 -2.422 -1.411 1.00 0.00 H new ATOM 675 N LYS A 46 -4.751 -2.567 3.523 1.00 0.00 N ATOM 676 CA LYS A 46 -4.761 -2.140 4.912 1.00 0.00 C ATOM 677 C LYS A 46 -3.651 -1.130 5.162 1.00 0.00 C ATOM 678 O LYS A 46 -2.500 -1.346 4.774 1.00 0.00 O ATOM 679 CB LYS A 46 -4.561 -3.330 5.852 1.00 0.00 C ATOM 680 CG LYS A 46 -5.673 -4.362 5.818 1.00 0.00 C ATOM 681 CD LYS A 46 -5.281 -5.587 6.623 1.00 0.00 C ATOM 682 CE LYS A 46 -6.348 -6.668 6.593 1.00 0.00 C ATOM 683 NZ LYS A 46 -5.940 -7.856 7.391 1.00 0.00 N ATOM 0 H LYS A 46 -3.895 -3.043 3.238 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.731 -1.684 5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.621 -3.821 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.462 -2.957 6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.590 -3.932 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.882 -4.648 4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.347 -5.991 6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.094 -5.294 7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.284 -6.269 6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.536 -6.967 5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.459 -8.693 7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.918 -8.015 7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.157 -7.691 8.395 1.00 0.00 H new ATOM 697 N LYS A 47 -4.000 -0.034 5.810 1.00 0.00 N ATOM 698 CA LYS A 47 -3.028 0.957 6.220 1.00 0.00 C ATOM 699 C LYS A 47 -2.586 0.648 7.640 1.00 0.00 C ATOM 700 O LYS A 47 -3.349 0.830 8.592 1.00 0.00 O ATOM 701 CB LYS A 47 -3.623 2.365 6.133 1.00 0.00 C ATOM 702 CG LYS A 47 -2.665 3.472 6.542 1.00 0.00 C ATOM 703 CD LYS A 47 -3.320 4.838 6.420 1.00 0.00 C ATOM 704 CE LYS A 47 -2.403 5.950 6.903 1.00 0.00 C ATOM 705 NZ LYS A 47 -1.154 6.038 6.101 1.00 0.00 N ATOM 0 H LYS A 47 -4.961 0.192 6.065 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.166 0.922 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.953 2.545 5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.508 2.413 6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.338 3.313 7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.774 3.436 5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.593 5.018 5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.243 4.851 6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.932 6.902 6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.149 5.780 7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.576 6.831 6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.618 5.152 6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.394 6.193 5.101 1.00 0.00 H new ATOM 719 N ASN A 48 -1.366 0.136 7.751 1.00 0.00 N ATOM 720 CA ASN A 48 -0.773 -0.288 9.021 1.00 0.00 C ATOM 721 C ASN A 48 -1.476 -1.532 9.568 1.00 0.00 C ATOM 722 O ASN A 48 -0.885 -2.613 9.645 1.00 0.00 O ATOM 723 CB ASN A 48 -0.805 0.846 10.049 1.00 0.00 C ATOM 724 CG ASN A 48 0.115 0.582 11.220 1.00 0.00 C ATOM 725 OD1 ASN A 48 -0.271 -0.052 12.202 1.00 0.00 O ATOM 726 ND2 ASN A 48 1.336 1.086 11.133 1.00 0.00 N ATOM 0 H ASN A 48 -0.748 0.000 6.951 1.00 0.00 H new ATOM 0 HA ASN A 48 0.269 -0.544 8.831 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.517 1.780 9.566 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.824 0.976 10.412 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.998 0.955 11.898 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.615 1.605 10.301 1.00 0.00 H new ATOM 733 N GLY A 49 -2.738 -1.377 9.933 1.00 0.00 N ATOM 734 CA GLY A 49 -3.514 -2.486 10.446 1.00 0.00 C ATOM 735 C GLY A 49 -5.001 -2.236 10.323 1.00 0.00 C ATOM 736 O GLY A 49 -5.805 -2.900 10.975 1.00 0.00 O ATOM 0 H GLY A 49 -3.244 -0.493 9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.252 -3.394 9.904 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.259 -2.655 11.492 1.00 0.00 H new ATOM 740 N GLN A 50 -5.367 -1.275 9.485 1.00 0.00 N ATOM 741 CA GLN A 50 -6.763 -0.901 9.303 1.00 0.00 C ATOM 742 C GLN A 50 -7.100 -0.837 7.822 1.00 0.00 C ATOM 743 O GLN A 50 -6.365 -0.232 7.046 1.00 0.00 O ATOM 744 CB GLN A 50 -7.033 0.463 9.941 1.00 0.00 C ATOM 745 CG GLN A 50 -6.774 0.513 11.436 1.00 0.00 C ATOM 746 CD GLN A 50 -6.906 1.915 11.994 1.00 0.00 C ATOM 747 OE1 GLN A 50 -6.638 2.898 11.304 1.00 0.00 O ATOM 748 NE2 GLN A 50 -7.327 2.020 13.243 1.00 0.00 N ATOM 0 H GLN A 50 -4.712 -0.737 8.917 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.387 -1.655 9.784 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.410 1.211 9.450 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.070 0.740 9.754 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.476 -0.147 11.947 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.773 0.135 11.642 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.539 1.180 13.782 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.440 2.941 13.667 1.00 0.00 H new ATOM 757 N ILE A 51 -8.197 -1.468 7.430 1.00 0.00 N ATOM 758 CA ILE A 51 -8.663 -1.403 6.048 1.00 0.00 C ATOM 759 C ILE A 51 -9.043 0.035 5.699 1.00 0.00 C ATOM 760 O ILE A 51 -9.793 0.680 6.433 1.00 0.00 O ATOM 761 CB ILE A 51 -9.873 -2.333 5.816 1.00 0.00 C ATOM 762 CG1 ILE A 51 -9.516 -3.775 6.190 1.00 0.00 C ATOM 763 CG2 ILE A 51 -10.330 -2.257 4.364 1.00 0.00 C ATOM 764 CD1 ILE A 51 -10.678 -4.739 6.078 1.00 0.00 C ATOM 0 H ILE A 51 -8.782 -2.031 8.047 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.851 -1.738 5.402 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.693 -2.003 6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.707 -4.118 5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.138 -3.793 7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.184 -2.918 4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.619 -1.233 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.515 -2.565 3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.349 -5.740 6.358 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.480 -4.421 6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -11.043 -4.752 5.051 1.00 0.00 H new ATOM 776 N VAL A 52 -8.514 0.541 4.592 1.00 0.00 N ATOM 777 CA VAL A 52 -8.702 1.944 4.231 1.00 0.00 C ATOM 778 C VAL A 52 -9.107 2.105 2.770 1.00 0.00 C ATOM 779 O VAL A 52 -9.218 1.125 2.032 1.00 0.00 O ATOM 780 CB VAL A 52 -7.427 2.774 4.489 1.00 0.00 C ATOM 781 CG1 VAL A 52 -7.142 2.878 5.979 1.00 0.00 C ATOM 782 CG2 VAL A 52 -6.238 2.174 3.749 1.00 0.00 C ATOM 0 H VAL A 52 -7.953 0.005 3.930 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.507 2.314 4.866 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.592 3.782 4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.239 3.467 6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.982 3.362 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.000 1.880 6.393 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.348 2.773 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.071 1.154 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.443 2.165 2.678 1.00 0.00 H new ATOM 792 N ILE A 53 -9.323 3.354 2.369 1.00 0.00 N ATOM 793 CA ILE A 53 -9.713 3.675 1.003 1.00 0.00 C ATOM 794 C ILE A 53 -8.484 3.889 0.122 1.00 0.00 C ATOM 795 O ILE A 53 -7.357 3.942 0.616 1.00 0.00 O ATOM 796 CB ILE A 53 -10.596 4.939 0.952 1.00 0.00 C ATOM 797 CG1 ILE A 53 -9.868 6.126 1.597 1.00 0.00 C ATOM 798 CG2 ILE A 53 -11.928 4.680 1.645 1.00 0.00 C ATOM 799 CD1 ILE A 53 -10.638 7.427 1.528 1.00 0.00 C ATOM 0 H ILE A 53 -9.233 4.167 2.979 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.286 2.828 0.627 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.794 5.187 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -9.664 5.891 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.904 6.259 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.542 5.580 1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -12.446 3.863 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.750 4.412 2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.059 8.218 2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.819 7.688 0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.591 7.314 2.045 1.00 0.00 H new ATOM 811 N ASP A 54 -8.711 4.040 -1.176 1.00 0.00 N ATOM 812 CA ASP A 54 -7.618 4.171 -2.134 1.00 0.00 C ATOM 813 C ASP A 54 -7.002 5.567 -2.086 1.00 0.00 C ATOM 814 O ASP A 54 -5.858 5.759 -2.492 1.00 0.00 O ATOM 815 CB ASP A 54 -8.103 3.862 -3.555 1.00 0.00 C ATOM 816 CG ASP A 54 -9.060 4.908 -4.091 1.00 0.00 C ATOM 817 OD1 ASP A 54 -10.242 4.900 -3.682 1.00 0.00 O ATOM 818 OD2 ASP A 54 -8.640 5.739 -4.915 1.00 0.00 O ATOM 0 H ASP A 54 -9.642 4.075 -1.591 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.850 3.448 -1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.242 3.789 -4.220 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.594 2.889 -3.562 1.00 0.00 H new ATOM 823 N GLU A 55 -7.747 6.533 -1.565 1.00 0.00 N ATOM 824 CA GLU A 55 -7.270 7.910 -1.510 1.00 0.00 C ATOM 825 C GLU A 55 -6.421 8.140 -0.255 1.00 0.00 C ATOM 826 O GLU A 55 -5.988 9.258 0.022 1.00 0.00 O ATOM 827 CB GLU A 55 -8.456 8.880 -1.546 1.00 0.00 C ATOM 828 CG GLU A 55 -8.058 10.332 -1.764 1.00 0.00 C ATOM 829 CD GLU A 55 -9.240 11.277 -1.736 1.00 0.00 C ATOM 830 OE1 GLU A 55 -10.319 10.867 -1.253 1.00 0.00 O ATOM 831 OE2 GLU A 55 -9.096 12.432 -2.198 1.00 0.00 O ATOM 0 H GLU A 55 -8.679 6.391 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.641 8.095 -2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.137 8.577 -2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.006 8.801 -0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.345 10.627 -0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.548 10.424 -2.723 1.00 0.00 H new ATOM 838 N GLU A 56 -6.172 7.079 0.498 1.00 0.00 N ATOM 839 CA GLU A 56 -5.362 7.186 1.704 1.00 0.00 C ATOM 840 C GLU A 56 -3.895 7.392 1.365 1.00 0.00 C ATOM 841 O GLU A 56 -3.323 6.671 0.543 1.00 0.00 O ATOM 842 CB GLU A 56 -5.537 5.956 2.595 1.00 0.00 C ATOM 843 CG GLU A 56 -6.712 6.074 3.548 1.00 0.00 C ATOM 844 CD GLU A 56 -6.542 7.230 4.511 1.00 0.00 C ATOM 845 OE1 GLU A 56 -6.927 8.363 4.157 1.00 0.00 O ATOM 846 OE2 GLU A 56 -6.006 7.015 5.620 1.00 0.00 O ATOM 0 H GLU A 56 -6.516 6.140 0.298 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.709 8.060 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.673 5.076 1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.625 5.799 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.631 6.209 2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.819 5.146 4.110 1.00 0.00 H new ATOM 853 N GLU A 57 -3.301 8.396 1.988 1.00 0.00 N ATOM 854 CA GLU A 57 -1.900 8.706 1.778 1.00 0.00 C ATOM 855 C GLU A 57 -1.007 7.900 2.709 1.00 0.00 C ATOM 856 O GLU A 57 -1.339 7.666 3.873 1.00 0.00 O ATOM 857 CB GLU A 57 -1.658 10.207 1.943 1.00 0.00 C ATOM 858 CG GLU A 57 -2.433 10.833 3.089 1.00 0.00 C ATOM 859 CD GLU A 57 -2.423 12.347 3.033 1.00 0.00 C ATOM 860 OE1 GLU A 57 -2.957 12.912 2.053 1.00 0.00 O ATOM 861 OE2 GLU A 57 -1.881 12.986 3.960 1.00 0.00 O ATOM 0 H GLU A 57 -3.773 9.014 2.648 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.639 8.425 0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.593 10.378 2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.928 10.713 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.463 10.478 3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.005 10.504 4.036 1.00 0.00 H new ATOM 868 N ILE A 58 0.114 7.455 2.173 1.00 0.00 N ATOM 869 CA ILE A 58 1.067 6.667 2.925 1.00 0.00 C ATOM 870 C ILE A 58 2.101 7.594 3.551 1.00 0.00 C ATOM 871 O ILE A 58 2.370 8.672 3.021 1.00 0.00 O ATOM 872 CB ILE A 58 1.768 5.641 2.009 1.00 0.00 C ATOM 873 CG1 ILE A 58 0.746 4.979 1.077 1.00 0.00 C ATOM 874 CG2 ILE A 58 2.477 4.585 2.842 1.00 0.00 C ATOM 875 CD1 ILE A 58 1.370 4.161 -0.035 1.00 0.00 C ATOM 0 H ILE A 58 0.387 7.630 1.206 1.00 0.00 H new ATOM 0 HA ILE A 58 0.538 6.123 3.707 1.00 0.00 H new ATOM 0 HB ILE A 58 2.509 6.164 1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.094 4.335 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.116 5.752 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.966 3.869 2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.224 5.063 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.750 4.065 3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.584 3.725 -0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.999 4.804 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.977 3.365 0.396 1.00 0.00 H new ATOM 887 N PHE A 59 2.656 7.200 4.686 1.00 0.00 N ATOM 888 CA PHE A 59 3.611 8.044 5.387 1.00 0.00 C ATOM 889 C PHE A 59 4.919 7.298 5.621 1.00 0.00 C ATOM 890 O PHE A 59 4.984 6.075 5.493 1.00 0.00 O ATOM 891 CB PHE A 59 3.033 8.513 6.727 1.00 0.00 C ATOM 892 CG PHE A 59 1.727 9.249 6.609 1.00 0.00 C ATOM 893 CD1 PHE A 59 1.646 10.451 5.925 1.00 0.00 C ATOM 894 CD2 PHE A 59 0.577 8.735 7.188 1.00 0.00 C ATOM 895 CE1 PHE A 59 0.444 11.126 5.819 1.00 0.00 C ATOM 896 CE2 PHE A 59 -0.627 9.405 7.087 1.00 0.00 C ATOM 897 CZ PHE A 59 -0.693 10.601 6.403 1.00 0.00 C ATOM 0 H PHE A 59 2.464 6.307 5.139 1.00 0.00 H new ATOM 0 HA PHE A 59 3.811 8.916 4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.892 7.646 7.373 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.760 9.161 7.217 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.533 10.866 5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.623 7.799 7.725 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.394 12.061 5.281 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.515 8.993 7.543 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.633 11.127 6.324 1.00 0.00 H new ATOM 907 N ASP A 60 5.961 8.043 5.959 1.00 0.00 N ATOM 908 CA ASP A 60 7.248 7.451 6.288 1.00 0.00 C ATOM 909 C ASP A 60 7.153 6.665 7.589 1.00 0.00 C ATOM 910 O ASP A 60 6.670 7.177 8.600 1.00 0.00 O ATOM 911 CB ASP A 60 8.321 8.531 6.414 1.00 0.00 C ATOM 912 CG ASP A 60 9.678 7.951 6.754 1.00 0.00 C ATOM 913 OD1 ASP A 60 10.346 7.427 5.842 1.00 0.00 O ATOM 914 OD2 ASP A 60 10.082 8.013 7.932 1.00 0.00 O ATOM 0 H ASP A 60 5.940 9.061 6.013 1.00 0.00 H new ATOM 0 HA ASP A 60 7.526 6.772 5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.389 9.085 5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.028 9.243 7.185 1.00 0.00 H new ATOM 919 N GLY A 61 7.595 5.418 7.549 1.00 0.00 N ATOM 920 CA GLY A 61 7.533 4.570 8.721 1.00 0.00 C ATOM 921 C GLY A 61 6.175 3.918 8.882 1.00 0.00 C ATOM 922 O GLY A 61 5.870 3.351 9.932 1.00 0.00 O ATOM 0 H GLY A 61 7.997 4.976 6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.299 3.798 8.650 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.758 5.162 9.608 1.00 0.00 H new ATOM 926 N ASP A 62 5.359 4.007 7.841 1.00 0.00 N ATOM 927 CA ASP A 62 4.034 3.401 7.857 1.00 0.00 C ATOM 928 C ASP A 62 4.080 2.038 7.170 1.00 0.00 C ATOM 929 O ASP A 62 5.022 1.734 6.431 1.00 0.00 O ATOM 930 CB ASP A 62 3.012 4.324 7.178 1.00 0.00 C ATOM 931 CG ASP A 62 1.574 3.868 7.362 1.00 0.00 C ATOM 932 OD1 ASP A 62 1.301 3.101 8.312 1.00 0.00 O ATOM 933 OD2 ASP A 62 0.708 4.301 6.567 1.00 0.00 O ATOM 0 H ASP A 62 5.591 4.493 6.975 1.00 0.00 H new ATOM 0 HA ASP A 62 3.720 3.258 8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.120 5.332 7.579 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.235 4.379 6.112 1.00 0.00 H new ATOM 938 N ILE A 63 3.076 1.223 7.428 1.00 0.00 N ATOM 939 CA ILE A 63 3.029 -0.134 6.912 1.00 0.00 C ATOM 940 C ILE A 63 1.859 -0.286 5.950 1.00 0.00 C ATOM 941 O ILE A 63 0.782 0.246 6.189 1.00 0.00 O ATOM 942 CB ILE A 63 2.889 -1.161 8.063 1.00 0.00 C ATOM 943 CG1 ILE A 63 4.104 -1.094 8.995 1.00 0.00 C ATOM 944 CG2 ILE A 63 2.714 -2.572 7.519 1.00 0.00 C ATOM 945 CD1 ILE A 63 5.418 -1.421 8.316 1.00 0.00 C ATOM 0 H ILE A 63 2.271 1.480 7.999 1.00 0.00 H new ATOM 0 HA ILE A 63 3.963 -0.328 6.385 1.00 0.00 H new ATOM 0 HB ILE A 63 1.997 -0.905 8.635 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.167 -0.093 9.423 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.952 -1.786 9.824 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.618 -3.273 8.349 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.817 -2.615 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.582 -2.840 6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.229 -1.352 9.041 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.377 -2.433 7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.595 -0.714 7.505 1.00 0.00 H new ATOM 957 N ILE A 64 2.078 -0.988 4.856 1.00 0.00 N ATOM 958 CA ILE A 64 1.008 -1.257 3.912 1.00 0.00 C ATOM 959 C ILE A 64 0.780 -2.757 3.810 1.00 0.00 C ATOM 960 O ILE A 64 1.684 -3.506 3.446 1.00 0.00 O ATOM 961 CB ILE A 64 1.315 -0.678 2.511 1.00 0.00 C ATOM 962 CG1 ILE A 64 1.527 0.838 2.595 1.00 0.00 C ATOM 963 CG2 ILE A 64 0.186 -1.005 1.541 1.00 0.00 C ATOM 964 CD1 ILE A 64 0.325 1.598 3.122 1.00 0.00 C ATOM 0 H ILE A 64 2.983 -1.382 4.598 1.00 0.00 H new ATOM 0 HA ILE A 64 0.107 -0.767 4.282 1.00 0.00 H new ATOM 0 HB ILE A 64 2.232 -1.136 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.383 1.040 3.239 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.777 1.216 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.418 -0.590 0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.077 -2.087 1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.745 -0.572 1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.553 2.664 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.529 1.428 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.086 1.250 4.127 1.00 0.00 H new ATOM 976 N GLU A 65 -0.414 -3.196 4.164 1.00 0.00 N ATOM 977 CA GLU A 65 -0.744 -4.608 4.093 1.00 0.00 C ATOM 978 C GLU A 65 -1.698 -4.856 2.934 1.00 0.00 C ATOM 979 O GLU A 65 -2.866 -4.474 2.986 1.00 0.00 O ATOM 980 CB GLU A 65 -1.363 -5.085 5.412 1.00 0.00 C ATOM 981 CG GLU A 65 -1.545 -6.594 5.489 1.00 0.00 C ATOM 982 CD GLU A 65 -2.127 -7.052 6.809 1.00 0.00 C ATOM 983 OE1 GLU A 65 -1.602 -6.649 7.869 1.00 0.00 O ATOM 984 OE2 GLU A 65 -3.117 -7.816 6.799 1.00 0.00 O ATOM 0 H GLU A 65 -1.168 -2.599 4.502 1.00 0.00 H new ATOM 0 HA GLU A 65 0.171 -5.176 3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.731 -4.761 6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.332 -4.603 5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.198 -6.918 4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.581 -7.079 5.335 1.00 0.00 H new ATOM 991 N VAL A 66 -1.190 -5.472 1.877 1.00 0.00 N ATOM 992 CA VAL A 66 -2.004 -5.750 0.704 1.00 0.00 C ATOM 993 C VAL A 66 -2.226 -7.247 0.552 1.00 0.00 C ATOM 994 O VAL A 66 -1.305 -7.999 0.239 1.00 0.00 O ATOM 995 CB VAL A 66 -1.369 -5.185 -0.587 1.00 0.00 C ATOM 996 CG1 VAL A 66 -2.209 -5.539 -1.804 1.00 0.00 C ATOM 997 CG2 VAL A 66 -1.205 -3.677 -0.486 1.00 0.00 C ATOM 0 H VAL A 66 -0.223 -5.787 1.808 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.962 -5.253 0.854 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.384 -5.638 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.742 -5.130 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.280 -6.623 -1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.208 -5.118 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.756 -3.297 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.181 -3.214 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.560 -3.437 0.359 1.00 0.00 H new ATOM 1007 N ILE A 67 -3.453 -7.669 0.793 1.00 0.00 N ATOM 1008 CA ILE A 67 -3.811 -9.073 0.692 1.00 0.00 C ATOM 1009 C ILE A 67 -4.789 -9.251 -0.456 1.00 0.00 C ATOM 1010 O ILE A 67 -5.672 -8.422 -0.643 1.00 0.00 O ATOM 1011 CB ILE A 67 -4.473 -9.618 1.987 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -3.934 -8.926 3.248 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -4.261 -11.122 2.092 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -4.661 -7.645 3.599 1.00 0.00 C ATOM 0 H ILE A 67 -4.223 -7.056 1.062 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.889 -9.631 0.527 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.539 -9.401 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.006 -9.616 4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.876 -8.705 3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.729 -11.493 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.709 -11.614 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.193 -11.338 2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.225 -7.214 4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.568 -6.936 2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.715 -7.861 3.774 1.00 0.00 H new ATOM 1026 N ARG A 68 -4.633 -10.306 -1.239 1.00 0.00 N ATOM 1027 CA ARG A 68 -5.606 -10.600 -2.279 1.00 0.00 C ATOM 1028 C ARG A 68 -6.924 -11.003 -1.632 1.00 0.00 C ATOM 1029 O ARG A 68 -6.941 -11.485 -0.496 1.00 0.00 O ATOM 1030 CB ARG A 68 -5.095 -11.694 -3.212 1.00 0.00 C ATOM 1031 CG ARG A 68 -3.923 -11.251 -4.074 1.00 0.00 C ATOM 1032 CD ARG A 68 -3.360 -12.399 -4.898 1.00 0.00 C ATOM 1033 NE ARG A 68 -2.775 -13.440 -4.057 1.00 0.00 N ATOM 1034 CZ ARG A 68 -1.490 -13.789 -4.096 1.00 0.00 C ATOM 1035 NH1 ARG A 68 -0.661 -13.191 -4.940 1.00 0.00 N ATOM 1036 NH2 ARG A 68 -1.026 -14.731 -3.288 1.00 0.00 N ATOM 0 H ARG A 68 -3.856 -10.964 -1.177 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.764 -9.707 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.794 -12.557 -2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.910 -12.020 -3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.244 -10.450 -4.739 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.138 -10.842 -3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.153 -12.830 -5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.602 -12.017 -5.582 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.386 -13.928 -3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.006 -12.461 -5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.322 -13.461 -4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.654 -15.194 -2.631 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.041 -14.993 -3.323 1.00 0.00 H new