USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 535 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 6 THR OG1 : rot 105:sc= 0.127 USER MOD Set 1.2: A 8 CYS SG : rot 180:sc= 0.12 USER MOD Single : A 1 GLY N :NH3+ -146:sc= 0.0785 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 30:sc= 0.435 USER MOD Single : A 12 SER OG : rot 146:sc= 1.26 USER MOD Single : A 19 CYS SG : rot 180:sc= 0.0793 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0706 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -139:sc= 0.605 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 79:sc= 1.15 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 33 THR OG1 : rot 170:sc= 0.0274 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.583 K(o=-0.58,f=-2.9!) USER MOD Single : A 39 HIS : no HD1:sc=-0.00362 X(o=-0.0036,f=-0.085) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.424 K(o=-0.42,f=-5.5!) USER MOD Single : A 56 HIS : no HE2:sc= 0.391 K(o=0.39,f=-3.3!) USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= -0.146 (180deg=-0.504) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.057 -14.099 -2.025 1.00 0.00 N ATOM 2 CA GLY A 1 22.705 -12.969 -2.701 1.00 0.00 C ATOM 3 C GLY A 1 22.788 -11.794 -1.738 1.00 0.00 C ATOM 4 O GLY A 1 23.011 -12.020 -0.548 1.00 0.00 O ATOM 0 H1 GLY A 1 22.470 -14.991 -2.366 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.203 -14.020 -0.998 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.038 -14.089 -2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.703 -13.253 -3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.140 -12.688 -3.589 1.00 0.00 H new ATOM 8 N PRO A 2 22.579 -10.550 -2.199 1.00 0.00 N ATOM 9 CA PRO A 2 22.646 -9.369 -1.343 1.00 0.00 C ATOM 10 C PRO A 2 21.586 -9.434 -0.237 1.00 0.00 C ATOM 11 O PRO A 2 20.487 -9.967 -0.440 1.00 0.00 O ATOM 12 CB PRO A 2 22.458 -8.179 -2.289 1.00 0.00 C ATOM 13 CG PRO A 2 21.722 -8.768 -3.487 1.00 0.00 C ATOM 14 CD PRO A 2 22.300 -10.174 -3.576 1.00 0.00 C ATOM 0 HA PRO A 2 23.594 -9.287 -0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 2 21.881 -7.383 -1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 2 23.415 -7.748 -2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 2 20.643 -8.783 -3.332 1.00 0.00 H new ATOM 0 HG3 PRO A 2 21.906 -8.196 -4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 2 21.594 -10.863 -4.039 1.00 0.00 H new ATOM 0 HD3 PRO A 2 23.206 -10.191 -4.182 1.00 0.00 H new ATOM 22 N LEU A 3 21.878 -8.856 0.930 1.00 0.00 N ATOM 23 CA LEU A 3 21.002 -8.831 2.101 1.00 0.00 C ATOM 24 C LEU A 3 21.161 -7.490 2.816 1.00 0.00 C ATOM 25 O LEU A 3 22.290 -7.063 3.080 1.00 0.00 O ATOM 26 CB LEU A 3 21.396 -10.011 3.009 1.00 0.00 C ATOM 27 CG LEU A 3 20.394 -10.391 4.119 1.00 0.00 C ATOM 28 CD1 LEU A 3 20.868 -11.697 4.763 1.00 0.00 C ATOM 29 CD2 LEU A 3 20.218 -9.363 5.244 1.00 0.00 C ATOM 0 H LEU A 3 22.763 -8.375 1.090 1.00 0.00 H new ATOM 0 HA LEU A 3 19.954 -8.934 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 3 21.556 -10.887 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 3 22.352 -9.776 3.478 1.00 0.00 H new ATOM 0 HG LEU A 3 19.427 -10.464 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 3 20.174 -11.986 5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 3 20.906 -12.482 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 3 21.861 -11.554 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 3 19.492 -9.735 5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 3 21.174 -9.201 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 3 19.863 -8.422 4.824 1.00 0.00 H new ATOM 41 N GLY A 4 20.046 -6.815 3.089 1.00 0.00 N ATOM 42 CA GLY A 4 19.988 -5.536 3.776 1.00 0.00 C ATOM 43 C GLY A 4 18.608 -4.900 3.599 1.00 0.00 C ATOM 44 O GLY A 4 17.835 -5.321 2.729 1.00 0.00 O ATOM 0 H GLY A 4 19.124 -7.162 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.198 -5.675 4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.756 -4.870 3.384 1.00 0.00 H new ATOM 48 N SER A 5 18.267 -3.911 4.423 1.00 0.00 N ATOM 49 CA SER A 5 16.997 -3.203 4.336 1.00 0.00 C ATOM 50 C SER A 5 17.090 -2.306 3.097 1.00 0.00 C ATOM 51 O SER A 5 17.835 -1.324 3.103 1.00 0.00 O ATOM 52 CB SER A 5 16.741 -2.381 5.608 1.00 0.00 C ATOM 53 OG SER A 5 16.504 -3.223 6.727 1.00 0.00 O ATOM 0 H SER A 5 18.871 -3.578 5.175 1.00 0.00 H new ATOM 0 HA SER A 5 16.160 -3.896 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.599 -1.740 5.808 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.883 -1.727 5.454 1.00 0.00 H new ATOM 0 HG SER A 5 16.346 -2.673 7.523 1.00 0.00 H new ATOM 59 N THR A 6 16.420 -2.667 2.003 1.00 0.00 N ATOM 60 CA THR A 6 16.441 -1.895 0.764 1.00 0.00 C ATOM 61 C THR A 6 15.362 -0.803 0.780 1.00 0.00 C ATOM 62 O THR A 6 15.475 0.173 0.044 1.00 0.00 O ATOM 63 CB THR A 6 16.293 -2.847 -0.434 1.00 0.00 C ATOM 64 OG1 THR A 6 15.120 -3.632 -0.320 1.00 0.00 O ATOM 65 CG2 THR A 6 17.473 -3.824 -0.554 1.00 0.00 C ATOM 0 H THR A 6 15.845 -3.508 1.953 1.00 0.00 H new ATOM 0 HA THR A 6 17.398 -1.381 0.670 1.00 0.00 H new ATOM 0 HB THR A 6 16.253 -2.205 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 6 14.439 -3.295 -0.939 1.00 0.00 H new ATOM 0 HG21 THR A 6 17.321 -4.475 -1.415 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.398 -3.263 -0.682 1.00 0.00 H new ATOM 0 HG23 THR A 6 17.538 -4.429 0.350 1.00 0.00 H new ATOM 73 N ASP A 7 14.340 -0.970 1.629 1.00 0.00 N ATOM 74 CA ASP A 7 13.186 -0.106 1.877 1.00 0.00 C ATOM 75 C ASP A 7 12.666 0.535 0.597 1.00 0.00 C ATOM 76 O ASP A 7 12.523 1.755 0.516 1.00 0.00 O ATOM 77 CB ASP A 7 13.511 0.933 2.964 1.00 0.00 C ATOM 78 CG ASP A 7 13.927 0.285 4.272 1.00 0.00 C ATOM 79 OD1 ASP A 7 15.061 0.550 4.725 1.00 0.00 O ATOM 80 OD2 ASP A 7 13.135 -0.519 4.818 1.00 0.00 O ATOM 0 H ASP A 7 14.300 -1.801 2.219 1.00 0.00 H new ATOM 0 HA ASP A 7 12.374 -0.729 2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 7 14.311 1.585 2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.638 1.563 3.134 1.00 0.00 H new ATOM 85 N CYS A 8 12.323 -0.300 -0.385 1.00 0.00 N ATOM 86 CA CYS A 8 11.826 0.122 -1.692 1.00 0.00 C ATOM 87 C CYS A 8 10.571 -0.655 -2.133 1.00 0.00 C ATOM 88 O CYS A 8 10.376 -0.877 -3.331 1.00 0.00 O ATOM 89 CB CYS A 8 12.999 0.012 -2.681 1.00 0.00 C ATOM 90 SG CYS A 8 13.566 -1.707 -2.829 1.00 0.00 S ATOM 0 H CYS A 8 12.385 -1.314 -0.289 1.00 0.00 H new ATOM 0 HA CYS A 8 11.482 1.155 -1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.691 0.383 -3.659 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.822 0.643 -2.346 1.00 0.00 H new ATOM 0 HG CYS A 8 14.554 -1.767 -3.671 1.00 0.00 H new ATOM 96 N SER A 9 9.773 -1.164 -1.190 1.00 0.00 N ATOM 97 CA SER A 9 8.557 -1.926 -1.455 1.00 0.00 C ATOM 98 C SER A 9 7.596 -1.807 -0.270 1.00 0.00 C ATOM 99 O SER A 9 8.032 -1.478 0.840 1.00 0.00 O ATOM 100 CB SER A 9 8.938 -3.397 -1.670 1.00 0.00 C ATOM 101 OG SER A 9 9.339 -3.633 -3.002 1.00 0.00 O ATOM 0 H SER A 9 9.964 -1.052 -0.194 1.00 0.00 H new ATOM 0 HA SER A 9 8.063 -1.535 -2.344 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.746 -3.669 -0.991 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.088 -4.035 -1.425 1.00 0.00 H new ATOM 0 HG SER A 9 9.741 -2.819 -3.372 1.00 0.00 H new ATOM 107 N ILE A 10 6.306 -2.127 -0.483 1.00 0.00 N ATOM 108 CA ILE A 10 5.294 -2.049 0.573 1.00 0.00 C ATOM 109 C ILE A 10 5.654 -2.931 1.760 1.00 0.00 C ATOM 110 O ILE A 10 5.218 -2.605 2.854 1.00 0.00 O ATOM 111 CB ILE A 10 3.883 -2.417 0.075 1.00 0.00 C ATOM 112 CG1 ILE A 10 3.340 -1.453 -0.969 1.00 0.00 C ATOM 113 CG2 ILE A 10 2.858 -2.518 1.214 1.00 0.00 C ATOM 114 CD1 ILE A 10 2.896 -0.106 -0.399 1.00 0.00 C ATOM 0 H ILE A 10 5.944 -2.443 -1.383 1.00 0.00 H new ATOM 0 HA ILE A 10 5.280 -1.006 0.889 1.00 0.00 H new ATOM 0 HB ILE A 10 4.015 -3.396 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.107 -1.281 -1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.494 -1.919 -1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.883 -2.780 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.173 -3.287 1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.790 -1.559 1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.522 0.525 -1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.106 -0.264 0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.744 0.383 0.081 1.00 0.00 H new ATOM 126 N VAL A 11 6.447 -3.988 1.602 1.00 0.00 N ATOM 127 CA VAL A 11 6.808 -4.826 2.756 1.00 0.00 C ATOM 128 C VAL A 11 7.328 -3.970 3.917 1.00 0.00 C ATOM 129 O VAL A 11 6.962 -4.188 5.073 1.00 0.00 O ATOM 130 CB VAL A 11 7.815 -5.926 2.393 1.00 0.00 C ATOM 131 CG1 VAL A 11 7.053 -7.128 1.836 1.00 0.00 C ATOM 132 CG2 VAL A 11 8.912 -5.503 1.400 1.00 0.00 C ATOM 0 H VAL A 11 6.847 -4.285 0.712 1.00 0.00 H new ATOM 0 HA VAL A 11 5.895 -5.327 3.077 1.00 0.00 H new ATOM 0 HB VAL A 11 8.342 -6.171 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.759 -7.917 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.357 -7.499 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.499 -6.827 0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.573 -6.348 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.452 -5.181 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.488 -4.680 1.823 1.00 0.00 H new ATOM 142 N SER A 12 8.150 -2.964 3.610 1.00 0.00 N ATOM 143 CA SER A 12 8.671 -2.081 4.635 1.00 0.00 C ATOM 144 C SER A 12 7.555 -1.146 5.123 1.00 0.00 C ATOM 145 O SER A 12 7.483 -0.854 6.313 1.00 0.00 O ATOM 146 CB SER A 12 9.899 -1.332 4.112 1.00 0.00 C ATOM 147 OG SER A 12 10.593 -0.761 5.202 1.00 0.00 O ATOM 0 H SER A 12 8.463 -2.748 2.664 1.00 0.00 H new ATOM 0 HA SER A 12 9.006 -2.658 5.497 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.551 -2.014 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.595 -0.554 3.411 1.00 0.00 H new ATOM 0 HG SER A 12 11.556 -0.775 5.020 1.00 0.00 H new ATOM 153 N PHE A 13 6.667 -0.670 4.241 1.00 0.00 N ATOM 154 CA PHE A 13 5.582 0.218 4.643 1.00 0.00 C ATOM 155 C PHE A 13 4.645 -0.514 5.602 1.00 0.00 C ATOM 156 O PHE A 13 4.339 0.002 6.673 1.00 0.00 O ATOM 157 CB PHE A 13 4.825 0.769 3.422 1.00 0.00 C ATOM 158 CG PHE A 13 3.659 1.700 3.738 1.00 0.00 C ATOM 159 CD1 PHE A 13 2.492 1.665 2.945 1.00 0.00 C ATOM 160 CD2 PHE A 13 3.745 2.635 4.790 1.00 0.00 C ATOM 161 CE1 PHE A 13 1.437 2.567 3.182 1.00 0.00 C ATOM 162 CE2 PHE A 13 2.682 3.516 5.043 1.00 0.00 C ATOM 163 CZ PHE A 13 1.544 3.489 4.232 1.00 0.00 C ATOM 0 H PHE A 13 6.683 -0.888 3.245 1.00 0.00 H new ATOM 0 HA PHE A 13 6.007 1.077 5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.533 1.304 2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.448 -0.072 2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.407 0.940 2.149 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.633 2.673 5.404 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.554 2.548 2.561 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.743 4.215 5.864 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.739 4.185 4.416 1.00 0.00 H new ATOM 173 N PHE A 14 4.199 -1.722 5.249 1.00 0.00 N ATOM 174 CA PHE A 14 3.308 -2.515 6.083 1.00 0.00 C ATOM 175 C PHE A 14 3.984 -2.823 7.411 1.00 0.00 C ATOM 176 O PHE A 14 3.325 -2.715 8.441 1.00 0.00 O ATOM 177 CB PHE A 14 2.806 -3.768 5.353 1.00 0.00 C ATOM 178 CG PHE A 14 1.625 -3.550 4.413 1.00 0.00 C ATOM 179 CD1 PHE A 14 0.863 -4.653 3.987 1.00 0.00 C ATOM 180 CD2 PHE A 14 1.288 -2.269 3.935 1.00 0.00 C ATOM 181 CE1 PHE A 14 -0.183 -4.500 3.056 1.00 0.00 C ATOM 182 CE2 PHE A 14 0.250 -2.115 3.007 1.00 0.00 C ATOM 183 CZ PHE A 14 -0.482 -3.224 2.555 1.00 0.00 C ATOM 0 H PHE A 14 4.450 -2.175 4.371 1.00 0.00 H new ATOM 0 HA PHE A 14 2.412 -1.933 6.299 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.632 -4.189 4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.523 -4.512 6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.084 -5.634 4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.831 -1.403 4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.751 -5.359 2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.010 -1.130 2.634 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.269 -3.096 1.827 1.00 0.00 H new ATOM 193 N ALA A 15 5.281 -3.138 7.410 1.00 0.00 N ATOM 194 CA ALA A 15 6.015 -3.404 8.642 1.00 0.00 C ATOM 195 C ALA A 15 5.972 -2.143 9.521 1.00 0.00 C ATOM 196 O ALA A 15 5.644 -2.215 10.705 1.00 0.00 O ATOM 197 CB ALA A 15 7.456 -3.813 8.315 1.00 0.00 C ATOM 0 H ALA A 15 5.844 -3.215 6.563 1.00 0.00 H new ATOM 0 HA ALA A 15 5.557 -4.229 9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.997 -4.010 9.240 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.448 -4.713 7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.948 -3.007 7.771 1.00 0.00 H new ATOM 203 N ARG A 16 6.263 -0.972 8.940 1.00 0.00 N ATOM 204 CA ARG A 16 6.258 0.316 9.636 1.00 0.00 C ATOM 205 C ARG A 16 4.872 0.705 10.134 1.00 0.00 C ATOM 206 O ARG A 16 4.780 1.361 11.171 1.00 0.00 O ATOM 207 CB ARG A 16 6.812 1.396 8.703 1.00 0.00 C ATOM 208 CG ARG A 16 8.330 1.257 8.590 1.00 0.00 C ATOM 209 CD ARG A 16 8.877 2.470 7.847 1.00 0.00 C ATOM 210 NE ARG A 16 10.317 2.393 7.572 1.00 0.00 N ATOM 211 CZ ARG A 16 11.097 3.450 7.324 1.00 0.00 C ATOM 212 NH1 ARG A 16 10.608 4.688 7.345 1.00 0.00 N ATOM 213 NH2 ARG A 16 12.375 3.245 7.052 1.00 0.00 N ATOM 0 H ARG A 16 6.513 -0.895 7.954 1.00 0.00 H new ATOM 0 HA ARG A 16 6.892 0.222 10.518 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.355 1.306 7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.556 2.385 9.084 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.778 1.187 9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.587 0.341 8.059 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.341 2.580 6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.675 3.366 8.434 1.00 0.00 H new ATOM 0 HE ARG A 16 10.752 1.470 7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.622 4.843 7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.220 5.481 7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.747 2.295 7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.989 4.037 6.860 1.00 0.00 H new ATOM 227 N LEU A 17 3.825 0.347 9.398 1.00 0.00 N ATOM 228 CA LEU A 17 2.429 0.613 9.754 1.00 0.00 C ATOM 229 C LEU A 17 2.069 -0.284 10.938 1.00 0.00 C ATOM 230 O LEU A 17 1.555 0.188 11.950 1.00 0.00 O ATOM 231 CB LEU A 17 1.445 0.277 8.610 1.00 0.00 C ATOM 232 CG LEU A 17 1.305 1.297 7.472 1.00 0.00 C ATOM 233 CD1 LEU A 17 0.289 0.802 6.429 1.00 0.00 C ATOM 234 CD2 LEU A 17 0.834 2.660 7.980 1.00 0.00 C ATOM 0 H LEU A 17 3.923 -0.150 8.513 1.00 0.00 H new ATOM 0 HA LEU A 17 2.342 1.676 9.979 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.749 -0.674 8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.459 0.125 9.049 1.00 0.00 H new ATOM 0 HG LEU A 17 2.294 1.404 7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.202 1.537 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.627 -0.148 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.683 0.665 6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.749 3.351 7.141 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.138 2.553 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.555 3.049 8.699 1.00 0.00 H new ATOM 246 N GLY A 18 2.353 -1.577 10.797 1.00 0.00 N ATOM 247 CA GLY A 18 2.103 -2.648 11.743 1.00 0.00 C ATOM 248 C GLY A 18 1.266 -3.768 11.115 1.00 0.00 C ATOM 249 O GLY A 18 1.070 -4.795 11.769 1.00 0.00 O ATOM 0 H GLY A 18 2.800 -1.924 9.948 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.052 -3.054 12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.585 -2.251 12.616 1.00 0.00 H new ATOM 253 N CYS A 19 0.792 -3.591 9.872 1.00 0.00 N ATOM 254 CA CYS A 19 -0.027 -4.541 9.124 1.00 0.00 C ATOM 255 C CYS A 19 0.727 -5.858 8.919 1.00 0.00 C ATOM 256 O CYS A 19 1.586 -5.940 8.042 1.00 0.00 O ATOM 257 CB CYS A 19 -0.422 -3.933 7.766 1.00 0.00 C ATOM 258 SG CYS A 19 -1.060 -2.238 7.937 1.00 0.00 S ATOM 0 H CYS A 19 0.981 -2.740 9.342 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.931 -4.751 9.696 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.445 -3.929 7.105 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.179 -4.560 7.295 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.375 -1.773 6.765 1.00 0.00 H new ATOM 264 N SER A 20 0.356 -6.887 9.679 1.00 0.00 N ATOM 265 CA SER A 20 0.966 -8.206 9.643 1.00 0.00 C ATOM 266 C SER A 20 0.494 -9.065 8.455 1.00 0.00 C ATOM 267 O SER A 20 1.038 -8.936 7.360 1.00 0.00 O ATOM 268 CB SER A 20 0.822 -8.859 11.031 1.00 0.00 C ATOM 269 OG SER A 20 -0.331 -8.434 11.758 1.00 0.00 O ATOM 0 H SER A 20 -0.403 -6.819 10.357 1.00 0.00 H new ATOM 0 HA SER A 20 2.033 -8.109 9.442 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.783 -9.941 10.909 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.712 -8.636 11.620 1.00 0.00 H new ATOM 0 HG SER A 20 -0.357 -8.890 12.625 1.00 0.00 H new ATOM 275 N SER A 21 -0.539 -9.903 8.608 1.00 0.00 N ATOM 276 CA SER A 21 -1.046 -10.784 7.553 1.00 0.00 C ATOM 277 C SER A 21 -1.453 -10.066 6.263 1.00 0.00 C ATOM 278 O SER A 21 -1.546 -10.707 5.220 1.00 0.00 O ATOM 279 CB SER A 21 -2.184 -11.645 8.101 1.00 0.00 C ATOM 280 OG SER A 21 -1.743 -12.367 9.242 1.00 0.00 O ATOM 0 H SER A 21 -1.054 -9.988 9.485 1.00 0.00 H new ATOM 0 HA SER A 21 -0.212 -11.420 7.256 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.033 -11.014 8.366 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.529 -12.338 7.333 1.00 0.00 H new ATOM 0 HG SER A 21 -2.479 -12.914 9.587 1.00 0.00 H new ATOM 286 N CYS A 22 -1.679 -8.751 6.281 1.00 0.00 N ATOM 287 CA CYS A 22 -2.032 -8.033 5.065 1.00 0.00 C ATOM 288 C CYS A 22 -0.876 -8.121 4.059 1.00 0.00 C ATOM 289 O CYS A 22 -1.117 -8.110 2.848 1.00 0.00 O ATOM 290 CB CYS A 22 -2.337 -6.572 5.395 1.00 0.00 C ATOM 291 SG CYS A 22 -3.560 -6.485 6.731 1.00 0.00 S ATOM 0 H CYS A 22 -1.624 -8.170 7.118 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.920 -8.485 4.623 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.423 -6.059 5.693 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.715 -6.061 4.510 1.00 0.00 H new ATOM 0 HG CYS A 22 -4.417 -5.542 6.474 1.00 0.00 H new ATOM 297 N LEU A 23 0.372 -8.151 4.554 1.00 0.00 N ATOM 298 CA LEU A 23 1.552 -8.254 3.714 1.00 0.00 C ATOM 299 C LEU A 23 1.573 -9.652 3.123 1.00 0.00 C ATOM 300 O LEU A 23 1.920 -9.775 1.955 1.00 0.00 O ATOM 301 CB LEU A 23 2.844 -7.885 4.483 1.00 0.00 C ATOM 302 CG LEU A 23 3.547 -8.996 5.298 1.00 0.00 C ATOM 303 CD1 LEU A 23 4.527 -9.821 4.453 1.00 0.00 C ATOM 304 CD2 LEU A 23 4.332 -8.366 6.454 1.00 0.00 C ATOM 0 H LEU A 23 0.580 -8.104 5.551 1.00 0.00 H new ATOM 0 HA LEU A 23 1.510 -7.529 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.562 -7.495 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.605 -7.070 5.166 1.00 0.00 H new ATOM 0 HG LEU A 23 2.764 -9.661 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.991 -10.585 5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.989 -10.298 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.298 -9.166 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.827 -9.150 7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.080 -7.681 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.648 -7.819 7.103 1.00 0.00 H new ATOM 316 N ASP A 24 1.177 -10.669 3.904 1.00 0.00 N ATOM 317 CA ASP A 24 1.136 -12.061 3.479 1.00 0.00 C ATOM 318 C ASP A 24 0.224 -12.195 2.275 1.00 0.00 C ATOM 319 O ASP A 24 0.609 -12.779 1.269 1.00 0.00 O ATOM 320 CB ASP A 24 0.672 -13.002 4.588 1.00 0.00 C ATOM 321 CG ASP A 24 0.746 -14.451 4.113 1.00 0.00 C ATOM 322 OD1 ASP A 24 1.868 -15.008 4.130 1.00 0.00 O ATOM 323 OD2 ASP A 24 -0.313 -15.052 3.811 1.00 0.00 O ATOM 0 H ASP A 24 0.871 -10.535 4.868 1.00 0.00 H new ATOM 0 HA ASP A 24 2.154 -12.352 3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.295 -12.869 5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.350 -12.758 4.878 1.00 0.00 H new ATOM 328 N TYR A 25 -0.968 -11.611 2.340 1.00 0.00 N ATOM 329 CA TYR A 25 -1.920 -11.662 1.244 1.00 0.00 C ATOM 330 C TYR A 25 -1.309 -10.975 0.015 1.00 0.00 C ATOM 331 O TYR A 25 -1.246 -11.567 -1.065 1.00 0.00 O ATOM 332 CB TYR A 25 -3.245 -11.035 1.695 1.00 0.00 C ATOM 333 CG TYR A 25 -3.844 -11.587 2.987 1.00 0.00 C ATOM 334 CD1 TYR A 25 -4.648 -10.744 3.776 1.00 0.00 C ATOM 335 CD2 TYR A 25 -3.584 -12.902 3.436 1.00 0.00 C ATOM 336 CE1 TYR A 25 -5.155 -11.181 5.011 1.00 0.00 C ATOM 337 CE2 TYR A 25 -4.082 -13.346 4.674 1.00 0.00 C ATOM 338 CZ TYR A 25 -4.859 -12.481 5.479 1.00 0.00 C ATOM 339 OH TYR A 25 -5.300 -12.878 6.709 1.00 0.00 O ATOM 0 H TYR A 25 -1.298 -11.091 3.153 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.139 -12.691 0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.093 -9.963 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.975 -11.164 0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.878 -9.748 3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.998 -13.571 2.823 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.772 -10.522 5.604 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.871 -14.350 5.011 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.012 -13.799 6.878 1.00 0.00 H new ATOM 349 N PHE A 26 -0.798 -9.750 0.169 1.00 0.00 N ATOM 350 CA PHE A 26 -0.192 -9.016 -0.931 1.00 0.00 C ATOM 351 C PHE A 26 0.988 -9.748 -1.583 1.00 0.00 C ATOM 352 O PHE A 26 1.063 -9.795 -2.816 1.00 0.00 O ATOM 353 CB PHE A 26 0.195 -7.633 -0.426 1.00 0.00 C ATOM 354 CG PHE A 26 -0.753 -6.577 -0.937 1.00 0.00 C ATOM 355 CD1 PHE A 26 -0.541 -5.959 -2.187 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.840 -6.198 -0.132 1.00 0.00 C ATOM 357 CE1 PHE A 26 -1.366 -4.902 -2.594 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.688 -5.167 -0.559 1.00 0.00 C ATOM 359 CZ PHE A 26 -2.438 -4.506 -1.776 1.00 0.00 C ATOM 0 H PHE A 26 -0.795 -9.247 1.056 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.926 -8.927 -1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.194 -7.628 0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.210 -7.398 -0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.257 -6.300 -2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.021 -6.697 0.809 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.179 -4.395 -3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.535 -4.879 0.047 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.074 -3.689 -2.083 1.00 0.00 H new ATOM 369 N THR A 27 1.908 -10.310 -0.801 1.00 0.00 N ATOM 370 CA THR A 27 3.055 -11.047 -1.327 1.00 0.00 C ATOM 371 C THR A 27 2.528 -12.330 -2.001 1.00 0.00 C ATOM 372 O THR A 27 3.057 -12.747 -3.029 1.00 0.00 O ATOM 373 CB THR A 27 4.141 -11.217 -0.236 1.00 0.00 C ATOM 374 OG1 THR A 27 5.391 -11.620 -0.756 1.00 0.00 O ATOM 375 CG2 THR A 27 3.798 -12.187 0.886 1.00 0.00 C ATOM 0 H THR A 27 1.879 -10.267 0.218 1.00 0.00 H new ATOM 0 HA THR A 27 3.585 -10.502 -2.108 1.00 0.00 H new ATOM 0 HB THR A 27 4.193 -10.211 0.179 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.036 -11.709 -0.024 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.625 -12.231 1.594 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.899 -11.847 1.399 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.624 -13.179 0.469 1.00 0.00 H new ATOM 383 N THR A 28 1.458 -12.951 -1.486 1.00 0.00 N ATOM 384 CA THR A 28 0.859 -14.156 -2.063 1.00 0.00 C ATOM 385 C THR A 28 0.179 -13.827 -3.412 1.00 0.00 C ATOM 386 O THR A 28 0.055 -14.714 -4.266 1.00 0.00 O ATOM 387 CB THR A 28 -0.081 -14.794 -1.023 1.00 0.00 C ATOM 388 OG1 THR A 28 0.648 -15.090 0.147 1.00 0.00 O ATOM 389 CG2 THR A 28 -0.676 -16.120 -1.473 1.00 0.00 C ATOM 0 H THR A 28 0.980 -12.624 -0.646 1.00 0.00 H new ATOM 0 HA THR A 28 1.623 -14.897 -2.298 1.00 0.00 H new ATOM 0 HB THR A 28 -0.881 -14.069 -0.870 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.765 -14.273 0.675 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.327 -16.511 -0.691 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.254 -15.969 -2.385 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.126 -16.832 -1.666 1.00 0.00 H new ATOM 397 N GLN A 29 -0.243 -12.573 -3.633 1.00 0.00 N ATOM 398 CA GLN A 29 -0.864 -12.117 -4.870 1.00 0.00 C ATOM 399 C GLN A 29 0.202 -11.655 -5.890 1.00 0.00 C ATOM 400 O GLN A 29 -0.083 -11.620 -7.091 1.00 0.00 O ATOM 401 CB GLN A 29 -1.802 -10.956 -4.533 1.00 0.00 C ATOM 402 CG GLN A 29 -3.066 -11.349 -3.754 1.00 0.00 C ATOM 403 CD GLN A 29 -4.136 -11.914 -4.681 1.00 0.00 C ATOM 404 OE1 GLN A 29 -4.547 -11.273 -5.648 1.00 0.00 O ATOM 405 NE2 GLN A 29 -4.597 -13.128 -4.437 1.00 0.00 N ATOM 0 H GLN A 29 -0.156 -11.835 -2.934 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.419 -12.939 -5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.249 -10.219 -3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.102 -10.469 -5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.812 -12.089 -2.995 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.459 -10.477 -3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.251 -13.653 -3.634 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.298 -13.540 -5.052 1.00 0.00 H new ATOM 414 N GLY A 30 1.401 -11.265 -5.429 1.00 0.00 N ATOM 415 CA GLY A 30 2.511 -10.823 -6.267 1.00 0.00 C ATOM 416 C GLY A 30 2.261 -9.486 -6.958 1.00 0.00 C ATOM 417 O GLY A 30 2.669 -9.300 -8.106 1.00 0.00 O ATOM 0 H GLY A 30 1.624 -11.251 -4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.409 -10.743 -5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.708 -11.582 -7.024 1.00 0.00 H new ATOM 421 N LEU A 31 1.646 -8.526 -6.268 1.00 0.00 N ATOM 422 CA LEU A 31 1.295 -7.192 -6.776 1.00 0.00 C ATOM 423 C LEU A 31 1.500 -6.095 -5.721 1.00 0.00 C ATOM 424 O LEU A 31 0.785 -5.096 -5.701 1.00 0.00 O ATOM 425 CB LEU A 31 -0.172 -7.240 -7.269 1.00 0.00 C ATOM 426 CG LEU A 31 -1.137 -8.049 -6.379 1.00 0.00 C ATOM 427 CD1 LEU A 31 -1.297 -7.484 -4.970 1.00 0.00 C ATOM 428 CD2 LEU A 31 -2.507 -8.193 -7.017 1.00 0.00 C ATOM 0 H LEU A 31 1.365 -8.659 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 31 1.959 -6.933 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.546 -6.219 -7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.187 -7.664 -8.273 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.669 -9.029 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.991 -8.107 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.329 -7.474 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.686 -6.468 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.156 -8.769 -6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.939 -7.205 -7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.411 -8.708 -7.973 1.00 0.00 H new ATOM 440 N THR A 32 2.441 -6.280 -4.798 1.00 0.00 N ATOM 441 CA THR A 32 2.683 -5.323 -3.728 1.00 0.00 C ATOM 442 C THR A 32 3.683 -4.254 -4.176 1.00 0.00 C ATOM 443 O THR A 32 4.823 -4.551 -4.555 1.00 0.00 O ATOM 444 CB THR A 32 3.101 -6.207 -2.534 1.00 0.00 C ATOM 445 OG1 THR A 32 3.439 -5.471 -1.395 1.00 0.00 O ATOM 446 CG2 THR A 32 4.200 -7.249 -2.765 1.00 0.00 C ATOM 0 H THR A 32 3.054 -7.095 -4.773 1.00 0.00 H new ATOM 0 HA THR A 32 1.823 -4.719 -3.440 1.00 0.00 H new ATOM 0 HB THR A 32 2.179 -6.769 -2.387 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.693 -6.083 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.386 -7.793 -1.839 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.882 -7.948 -3.539 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.115 -6.749 -3.082 1.00 0.00 H new ATOM 454 N THR A 33 3.255 -2.985 -4.204 1.00 0.00 N ATOM 455 CA THR A 33 4.089 -1.863 -4.599 1.00 0.00 C ATOM 456 C THR A 33 3.553 -0.533 -4.053 1.00 0.00 C ATOM 457 O THR A 33 2.340 -0.398 -3.879 1.00 0.00 O ATOM 458 CB THR A 33 4.197 -1.864 -6.142 1.00 0.00 C ATOM 459 OG1 THR A 33 4.334 -0.554 -6.664 1.00 0.00 O ATOM 460 CG2 THR A 33 3.013 -2.579 -6.837 1.00 0.00 C ATOM 0 H THR A 33 2.305 -2.715 -3.948 1.00 0.00 H new ATOM 0 HA THR A 33 5.084 -1.972 -4.168 1.00 0.00 H new ATOM 0 HB THR A 33 5.101 -2.432 -6.363 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.560 -0.603 -7.616 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.150 -2.544 -7.918 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.973 -3.618 -6.510 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.081 -2.079 -6.573 1.00 0.00 H new ATOM 468 N ILE A 34 4.442 0.430 -3.786 1.00 0.00 N ATOM 469 CA ILE A 34 4.095 1.766 -3.293 1.00 0.00 C ATOM 470 C ILE A 34 3.600 2.658 -4.438 1.00 0.00 C ATOM 471 O ILE A 34 2.535 3.262 -4.368 1.00 0.00 O ATOM 472 CB ILE A 34 5.210 2.403 -2.416 1.00 0.00 C ATOM 473 CG1 ILE A 34 6.105 1.353 -1.705 1.00 0.00 C ATOM 474 CG2 ILE A 34 4.536 3.327 -1.385 1.00 0.00 C ATOM 475 CD1 ILE A 34 6.883 1.842 -0.473 1.00 0.00 C ATOM 0 H ILE A 34 5.446 0.298 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 34 3.257 1.660 -2.604 1.00 0.00 H new ATOM 0 HB ILE A 34 5.879 2.965 -3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.476 0.516 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.821 0.967 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.298 3.787 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.976 4.105 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.856 2.744 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.471 1.020 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.549 2.655 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.182 2.198 0.282 1.00 0.00 H new ATOM 487 N TYR A 35 4.350 2.683 -5.538 1.00 0.00 N ATOM 488 CA TYR A 35 4.079 3.484 -6.724 1.00 0.00 C ATOM 489 C TYR A 35 2.742 3.137 -7.353 1.00 0.00 C ATOM 490 O TYR A 35 2.121 3.971 -8.008 1.00 0.00 O ATOM 491 CB TYR A 35 5.208 3.269 -7.742 1.00 0.00 C ATOM 492 CG TYR A 35 6.558 3.724 -7.229 1.00 0.00 C ATOM 493 CD1 TYR A 35 7.340 2.878 -6.416 1.00 0.00 C ATOM 494 CD2 TYR A 35 6.986 5.037 -7.486 1.00 0.00 C ATOM 495 CE1 TYR A 35 8.516 3.364 -5.820 1.00 0.00 C ATOM 496 CE2 TYR A 35 8.183 5.511 -6.928 1.00 0.00 C ATOM 497 CZ TYR A 35 8.950 4.685 -6.075 1.00 0.00 C ATOM 498 OH TYR A 35 10.085 5.176 -5.501 1.00 0.00 O ATOM 0 H TYR A 35 5.197 2.122 -5.628 1.00 0.00 H new ATOM 0 HA TYR A 35 4.033 4.531 -6.424 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.261 2.211 -8.001 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.972 3.810 -8.658 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.035 1.855 -6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.392 5.684 -8.115 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.090 2.726 -5.165 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.520 6.512 -7.151 1.00 0.00 H new ATOM 0 HH TYR A 35 10.226 6.101 -5.793 1.00 0.00 H new ATOM 508 N GLN A 36 2.295 1.893 -7.190 1.00 0.00 N ATOM 509 CA GLN A 36 1.022 1.499 -7.775 1.00 0.00 C ATOM 510 C GLN A 36 -0.134 2.055 -6.948 1.00 0.00 C ATOM 511 O GLN A 36 -1.028 2.673 -7.515 1.00 0.00 O ATOM 512 CB GLN A 36 0.947 -0.018 -7.953 1.00 0.00 C ATOM 513 CG GLN A 36 1.695 -0.481 -9.220 1.00 0.00 C ATOM 514 CD GLN A 36 1.244 -1.856 -9.736 1.00 0.00 C ATOM 515 OE1 GLN A 36 0.991 -2.795 -8.988 1.00 0.00 O ATOM 516 NE2 GLN A 36 1.172 -2.037 -11.038 1.00 0.00 N ATOM 0 H GLN A 36 2.782 1.161 -6.672 1.00 0.00 H new ATOM 0 HA GLN A 36 0.940 1.930 -8.773 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.374 -0.509 -7.078 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.097 -0.326 -8.013 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.549 0.258 -10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.764 -0.515 -9.008 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.379 -1.266 -11.672 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.909 -2.949 -11.412 1.00 0.00 H new ATOM 525 N ILE A 37 -0.131 1.872 -5.623 1.00 0.00 N ATOM 526 CA ILE A 37 -1.210 2.373 -4.758 1.00 0.00 C ATOM 527 C ILE A 37 -1.319 3.898 -4.776 1.00 0.00 C ATOM 528 O ILE A 37 -2.373 4.446 -4.453 1.00 0.00 O ATOM 529 CB ILE A 37 -1.135 1.775 -3.351 1.00 0.00 C ATOM 530 CG1 ILE A 37 0.193 2.131 -2.674 1.00 0.00 C ATOM 531 CG2 ILE A 37 -1.348 0.255 -3.456 1.00 0.00 C ATOM 532 CD1 ILE A 37 0.209 1.751 -1.205 1.00 0.00 C ATOM 0 H ILE A 37 0.609 1.379 -5.123 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.151 2.021 -5.181 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.919 2.196 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.008 1.622 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.373 3.201 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.298 -0.189 -2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.326 0.054 -3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.572 -0.178 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.170 2.023 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.589 2.280 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.057 0.676 -1.106 1.00 0.00 H new ATOM 544 N GLU A 38 -0.260 4.593 -5.187 1.00 0.00 N ATOM 545 CA GLU A 38 -0.275 6.043 -5.285 1.00 0.00 C ATOM 546 C GLU A 38 -1.298 6.456 -6.356 1.00 0.00 C ATOM 547 O GLU A 38 -1.826 7.570 -6.274 1.00 0.00 O ATOM 548 CB GLU A 38 1.140 6.544 -5.602 1.00 0.00 C ATOM 549 CG GLU A 38 2.009 6.605 -4.333 1.00 0.00 C ATOM 550 CD GLU A 38 1.841 7.944 -3.608 1.00 0.00 C ATOM 551 OE1 GLU A 38 0.685 8.303 -3.289 1.00 0.00 O ATOM 552 OE2 GLU A 38 2.866 8.650 -3.445 1.00 0.00 O ATOM 0 H GLU A 38 0.625 4.166 -5.459 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.577 6.497 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.606 5.884 -6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.085 7.534 -6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.736 5.789 -3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.056 6.462 -4.599 1.00 0.00 H new ATOM 559 N HIS A 39 -1.592 5.597 -7.338 1.00 0.00 N ATOM 560 CA HIS A 39 -2.560 5.851 -8.401 1.00 0.00 C ATOM 561 C HIS A 39 -3.779 4.907 -8.355 1.00 0.00 C ATOM 562 O HIS A 39 -4.849 5.266 -8.838 1.00 0.00 O ATOM 563 CB HIS A 39 -1.827 5.815 -9.736 1.00 0.00 C ATOM 564 CG HIS A 39 -2.562 6.536 -10.828 1.00 0.00 C ATOM 565 ND1 HIS A 39 -3.000 7.839 -10.774 1.00 0.00 N ATOM 566 CD2 HIS A 39 -2.903 6.021 -12.044 1.00 0.00 C ATOM 567 CE1 HIS A 39 -3.607 8.103 -11.938 1.00 0.00 C ATOM 568 NE2 HIS A 39 -3.540 7.041 -12.763 1.00 0.00 N ATOM 0 H HIS A 39 -1.149 4.682 -7.414 1.00 0.00 H new ATOM 0 HA HIS A 39 -2.993 6.841 -8.256 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.840 6.261 -9.614 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.674 4.777 -10.032 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.717 5.015 -12.388 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.085 9.040 -12.182 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.885 6.989 -13.722 1.00 0.00 H new ATOM 576 N TYR A 40 -3.636 3.717 -7.753 1.00 0.00 N ATOM 577 CA TYR A 40 -4.700 2.727 -7.612 1.00 0.00 C ATOM 578 C TYR A 40 -5.655 3.222 -6.523 1.00 0.00 C ATOM 579 O TYR A 40 -5.409 3.025 -5.329 1.00 0.00 O ATOM 580 CB TYR A 40 -4.165 1.316 -7.260 1.00 0.00 C ATOM 581 CG TYR A 40 -3.651 0.438 -8.387 1.00 0.00 C ATOM 582 CD1 TYR A 40 -2.591 -0.494 -8.201 1.00 0.00 C ATOM 583 CD2 TYR A 40 -4.389 0.414 -9.584 1.00 0.00 C ATOM 584 CE1 TYR A 40 -2.369 -1.491 -9.177 1.00 0.00 C ATOM 585 CE2 TYR A 40 -4.182 -0.586 -10.534 1.00 0.00 C ATOM 586 CZ TYR A 40 -3.209 -1.578 -10.308 1.00 0.00 C ATOM 587 OH TYR A 40 -3.192 -2.681 -11.097 1.00 0.00 O ATOM 0 H TYR A 40 -2.753 3.414 -7.342 1.00 0.00 H new ATOM 0 HA TYR A 40 -5.211 2.624 -8.569 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.357 1.438 -6.539 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.964 0.774 -6.755 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.964 -0.439 -7.324 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.126 1.181 -9.770 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.554 -2.189 -9.057 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.767 -0.599 -11.442 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.834 -2.570 -11.829 1.00 0.00 H new ATOM 597 N SER A 41 -6.747 3.862 -6.945 1.00 0.00 N ATOM 598 CA SER A 41 -7.761 4.413 -6.063 1.00 0.00 C ATOM 599 C SER A 41 -8.471 3.308 -5.272 1.00 0.00 C ATOM 600 O SER A 41 -8.400 2.122 -5.612 1.00 0.00 O ATOM 601 CB SER A 41 -8.748 5.247 -6.894 1.00 0.00 C ATOM 602 OG SER A 41 -8.068 6.276 -7.598 1.00 0.00 O ATOM 0 H SER A 41 -6.950 4.012 -7.933 1.00 0.00 H new ATOM 0 HA SER A 41 -7.287 5.062 -5.327 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.272 4.602 -7.599 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.503 5.684 -6.240 1.00 0.00 H new ATOM 0 HG SER A 41 -8.713 6.795 -8.123 1.00 0.00 H new ATOM 608 N MET A 42 -9.238 3.714 -4.254 1.00 0.00 N ATOM 609 CA MET A 42 -9.990 2.822 -3.374 1.00 0.00 C ATOM 610 C MET A 42 -10.923 1.850 -4.110 1.00 0.00 C ATOM 611 O MET A 42 -11.260 0.798 -3.566 1.00 0.00 O ATOM 612 CB MET A 42 -10.753 3.652 -2.328 1.00 0.00 C ATOM 613 CG MET A 42 -11.749 4.668 -2.901 1.00 0.00 C ATOM 614 SD MET A 42 -12.604 5.616 -1.612 1.00 0.00 S ATOM 615 CE MET A 42 -13.805 6.485 -2.657 1.00 0.00 C ATOM 0 H MET A 42 -9.354 4.699 -4.016 1.00 0.00 H new ATOM 0 HA MET A 42 -9.261 2.182 -2.877 1.00 0.00 H new ATOM 0 HB2 MET A 42 -11.292 2.971 -1.670 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.029 4.185 -1.712 1.00 0.00 H new ATOM 0 HG2 MET A 42 -11.221 5.356 -3.561 1.00 0.00 H new ATOM 0 HG3 MET A 42 -12.486 4.144 -3.510 1.00 0.00 H new ATOM 0 HE1 MET A 42 -14.431 7.126 -2.036 1.00 0.00 H new ATOM 0 HE2 MET A 42 -13.276 7.094 -3.390 1.00 0.00 H new ATOM 0 HE3 MET A 42 -14.431 5.758 -3.174 1.00 0.00 H new ATOM 625 N ASP A 43 -11.355 2.180 -5.325 1.00 0.00 N ATOM 626 CA ASP A 43 -12.240 1.355 -6.145 1.00 0.00 C ATOM 627 C ASP A 43 -11.460 0.172 -6.725 1.00 0.00 C ATOM 628 O ASP A 43 -11.981 -0.949 -6.771 1.00 0.00 O ATOM 629 CB ASP A 43 -12.898 2.232 -7.220 1.00 0.00 C ATOM 630 CG ASP A 43 -13.790 3.283 -6.554 1.00 0.00 C ATOM 631 OD1 ASP A 43 -14.848 2.905 -5.995 1.00 0.00 O ATOM 632 OD2 ASP A 43 -13.363 4.451 -6.434 1.00 0.00 O ATOM 0 H ASP A 43 -11.091 3.054 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.042 0.931 -5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.133 2.720 -7.823 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -13.490 1.614 -7.895 1.00 0.00 H new ATOM 637 N ASP A 44 -10.214 0.403 -7.158 1.00 0.00 N ATOM 638 CA ASP A 44 -9.342 -0.646 -7.703 1.00 0.00 C ATOM 639 C ASP A 44 -8.978 -1.575 -6.550 1.00 0.00 C ATOM 640 O ASP A 44 -9.019 -2.803 -6.679 1.00 0.00 O ATOM 641 CB ASP A 44 -8.055 -0.057 -8.314 1.00 0.00 C ATOM 642 CG ASP A 44 -8.031 -0.248 -9.824 1.00 0.00 C ATOM 643 OD1 ASP A 44 -8.635 0.600 -10.521 1.00 0.00 O ATOM 644 OD2 ASP A 44 -7.433 -1.236 -10.313 1.00 0.00 O ATOM 0 H ASP A 44 -9.781 1.326 -7.140 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.865 -1.176 -8.499 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.989 1.005 -8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.184 -0.538 -7.869 1.00 0.00 H new ATOM 649 N LEU A 45 -8.669 -0.972 -5.392 1.00 0.00 N ATOM 650 CA LEU A 45 -8.318 -1.721 -4.198 1.00 0.00 C ATOM 651 C LEU A 45 -9.463 -2.678 -3.905 1.00 0.00 C ATOM 652 O LEU A 45 -9.231 -3.874 -3.791 1.00 0.00 O ATOM 653 CB LEU A 45 -8.025 -0.821 -2.988 1.00 0.00 C ATOM 654 CG LEU A 45 -6.835 0.150 -3.123 1.00 0.00 C ATOM 655 CD1 LEU A 45 -6.447 0.639 -1.722 1.00 0.00 C ATOM 656 CD2 LEU A 45 -5.607 -0.460 -3.812 1.00 0.00 C ATOM 0 H LEU A 45 -8.658 0.040 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.391 -2.265 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.919 -0.236 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.847 -1.460 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.161 0.970 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.606 1.328 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.295 1.151 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.164 -0.213 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.814 0.285 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.258 -1.319 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.876 -0.780 -4.818 1.00 0.00 H new ATOM 668 N ALA A 46 -10.705 -2.194 -3.847 1.00 0.00 N ATOM 669 CA ALA A 46 -11.850 -3.054 -3.583 1.00 0.00 C ATOM 670 C ALA A 46 -11.937 -4.196 -4.610 1.00 0.00 C ATOM 671 O ALA A 46 -12.193 -5.343 -4.239 1.00 0.00 O ATOM 672 CB ALA A 46 -13.122 -2.204 -3.549 1.00 0.00 C ATOM 0 H ALA A 46 -10.939 -1.210 -3.980 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.731 -3.529 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.982 -2.844 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.038 -1.455 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.253 -1.706 -4.510 1.00 0.00 H new ATOM 678 N SER A 47 -11.685 -3.903 -5.889 1.00 0.00 N ATOM 679 CA SER A 47 -11.715 -4.883 -6.971 1.00 0.00 C ATOM 680 C SER A 47 -10.720 -6.031 -6.727 1.00 0.00 C ATOM 681 O SER A 47 -11.012 -7.182 -7.069 1.00 0.00 O ATOM 682 CB SER A 47 -11.375 -4.160 -8.286 1.00 0.00 C ATOM 683 OG SER A 47 -11.768 -4.909 -9.422 1.00 0.00 O ATOM 0 H SER A 47 -11.451 -2.961 -6.204 1.00 0.00 H new ATOM 0 HA SER A 47 -12.710 -5.325 -7.021 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.869 -3.189 -8.304 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.302 -3.972 -8.329 1.00 0.00 H new ATOM 0 HG SER A 47 -11.536 -4.415 -10.236 1.00 0.00 H new ATOM 689 N LEU A 48 -9.566 -5.747 -6.118 1.00 0.00 N ATOM 690 CA LEU A 48 -8.481 -6.687 -5.813 1.00 0.00 C ATOM 691 C LEU A 48 -8.764 -7.625 -4.628 1.00 0.00 C ATOM 692 O LEU A 48 -7.842 -8.101 -3.957 1.00 0.00 O ATOM 693 CB LEU A 48 -7.177 -5.896 -5.645 1.00 0.00 C ATOM 694 CG LEU A 48 -6.716 -5.224 -6.954 1.00 0.00 C ATOM 695 CD1 LEU A 48 -5.731 -4.109 -6.609 1.00 0.00 C ATOM 696 CD2 LEU A 48 -6.051 -6.228 -7.903 1.00 0.00 C ATOM 0 H LEU A 48 -9.350 -4.800 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.389 -7.372 -6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.316 -5.133 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.394 -6.566 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.590 -4.820 -7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.395 -3.624 -7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.221 -3.376 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.872 -4.531 -6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.740 -5.717 -8.814 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.179 -6.666 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.761 -7.016 -8.154 1.00 0.00 H new ATOM 708 N LYS A 49 -10.043 -7.920 -4.376 1.00 0.00 N ATOM 709 CA LYS A 49 -10.520 -8.802 -3.313 1.00 0.00 C ATOM 710 C LYS A 49 -10.185 -8.266 -1.909 1.00 0.00 C ATOM 711 O LYS A 49 -9.929 -9.038 -0.976 1.00 0.00 O ATOM 712 CB LYS A 49 -10.029 -10.256 -3.579 1.00 0.00 C ATOM 713 CG LYS A 49 -11.151 -11.294 -3.713 1.00 0.00 C ATOM 714 CD LYS A 49 -11.677 -11.438 -5.151 1.00 0.00 C ATOM 715 CE LYS A 49 -10.833 -12.384 -6.020 1.00 0.00 C ATOM 716 NZ LYS A 49 -10.025 -11.693 -7.045 1.00 0.00 N ATOM 0 H LYS A 49 -10.805 -7.533 -4.933 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.610 -8.825 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.434 -10.263 -4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.368 -10.557 -2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.785 -12.261 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.976 -11.014 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.703 -11.805 -5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.705 -10.454 -5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.169 -12.959 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.495 -13.097 -6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.484 -12.394 -7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.653 -11.166 -7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.368 -11.032 -6.582 1.00 0.00 H new ATOM 730 N ILE A 50 -10.185 -6.944 -1.748 1.00 0.00 N ATOM 731 CA ILE A 50 -9.871 -6.250 -0.501 1.00 0.00 C ATOM 732 C ILE A 50 -11.147 -5.783 0.220 1.00 0.00 C ATOM 733 O ILE A 50 -12.007 -5.175 -0.428 1.00 0.00 O ATOM 734 CB ILE A 50 -8.992 -5.030 -0.854 1.00 0.00 C ATOM 735 CG1 ILE A 50 -7.784 -5.362 -1.755 1.00 0.00 C ATOM 736 CG2 ILE A 50 -8.433 -4.394 0.408 1.00 0.00 C ATOM 737 CD1 ILE A 50 -6.771 -6.351 -1.189 1.00 0.00 C ATOM 0 H ILE A 50 -10.412 -6.304 -2.509 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.349 -6.929 0.173 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.657 -4.359 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.159 -5.759 -2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.263 -4.433 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.816 -3.536 0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.255 -4.066 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.827 -5.123 0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.969 -6.504 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.354 -5.955 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.264 -7.302 -0.987 1.00 0.00 H new ATOM 749 N PRO A 51 -11.287 -5.993 1.547 1.00 0.00 N ATOM 750 CA PRO A 51 -12.452 -5.531 2.301 1.00 0.00 C ATOM 751 C PRO A 51 -12.313 -4.017 2.506 1.00 0.00 C ATOM 752 O PRO A 51 -11.195 -3.492 2.488 1.00 0.00 O ATOM 753 CB PRO A 51 -12.431 -6.313 3.611 1.00 0.00 C ATOM 754 CG PRO A 51 -10.946 -6.571 3.844 1.00 0.00 C ATOM 755 CD PRO A 51 -10.367 -6.696 2.432 1.00 0.00 C ATOM 0 HA PRO A 51 -13.404 -5.698 1.797 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.873 -5.741 4.427 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.993 -7.244 3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.481 -5.754 4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.785 -7.480 4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.369 -6.260 2.381 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.272 -7.742 2.142 1.00 0.00 H new ATOM 763 N GLU A 52 -13.404 -3.286 2.738 1.00 0.00 N ATOM 764 CA GLU A 52 -13.323 -1.832 2.895 1.00 0.00 C ATOM 765 C GLU A 52 -12.549 -1.349 4.120 1.00 0.00 C ATOM 766 O GLU A 52 -11.804 -0.381 3.990 1.00 0.00 O ATOM 767 CB GLU A 52 -14.696 -1.170 2.764 1.00 0.00 C ATOM 768 CG GLU A 52 -15.650 -1.416 3.938 1.00 0.00 C ATOM 769 CD GLU A 52 -17.026 -1.777 3.402 1.00 0.00 C ATOM 770 OE1 GLU A 52 -17.366 -2.980 3.465 1.00 0.00 O ATOM 771 OE2 GLU A 52 -17.688 -0.902 2.800 1.00 0.00 O ATOM 0 H GLU A 52 -14.345 -3.671 2.821 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.710 -1.497 2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.555 -0.095 2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.169 -1.528 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.270 -2.221 4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.713 -0.525 4.563 1.00 0.00 H new ATOM 778 N GLN A 53 -12.638 -2.030 5.268 1.00 0.00 N ATOM 779 CA GLN A 53 -11.932 -1.598 6.476 1.00 0.00 C ATOM 780 C GLN A 53 -10.417 -1.556 6.250 1.00 0.00 C ATOM 781 O GLN A 53 -9.792 -0.514 6.458 1.00 0.00 O ATOM 782 CB GLN A 53 -12.326 -2.503 7.661 1.00 0.00 C ATOM 783 CG GLN A 53 -11.907 -1.963 9.045 1.00 0.00 C ATOM 784 CD GLN A 53 -10.587 -2.536 9.558 1.00 0.00 C ATOM 785 OE1 GLN A 53 -9.599 -2.594 8.837 1.00 0.00 O ATOM 786 NE2 GLN A 53 -10.521 -3.014 10.791 1.00 0.00 N ATOM 0 H GLN A 53 -13.190 -2.880 5.384 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.232 -0.579 6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.407 -2.643 7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.876 -3.485 7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.824 -0.877 8.991 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.694 -2.187 9.765 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.339 -2.970 11.399 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.653 -3.426 11.133 1.00 0.00 H new ATOM 795 N PHE A 54 -9.830 -2.660 5.770 1.00 0.00 N ATOM 796 CA PHE A 54 -8.393 -2.698 5.540 1.00 0.00 C ATOM 797 C PHE A 54 -8.050 -1.754 4.395 1.00 0.00 C ATOM 798 O PHE A 54 -7.076 -1.019 4.507 1.00 0.00 O ATOM 799 CB PHE A 54 -7.888 -4.123 5.302 1.00 0.00 C ATOM 800 CG PHE A 54 -6.560 -4.155 4.579 1.00 0.00 C ATOM 801 CD1 PHE A 54 -6.566 -4.410 3.204 1.00 0.00 C ATOM 802 CD2 PHE A 54 -5.360 -3.793 5.218 1.00 0.00 C ATOM 803 CE1 PHE A 54 -5.380 -4.325 2.457 1.00 0.00 C ATOM 804 CE2 PHE A 54 -4.169 -3.715 4.475 1.00 0.00 C ATOM 805 CZ PHE A 54 -4.176 -3.986 3.095 1.00 0.00 C ATOM 0 H PHE A 54 -10.324 -3.522 5.539 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.876 -2.357 6.437 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.789 -4.634 6.260 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.627 -4.675 4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.491 -4.675 2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.354 -3.576 6.276 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.394 -4.520 1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.245 -3.446 4.966 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.258 -3.934 2.528 1.00 0.00 H new ATOM 815 N ARG A 55 -8.834 -1.743 3.309 1.00 0.00 N ATOM 816 CA ARG A 55 -8.601 -0.856 2.170 1.00 0.00 C ATOM 817 C ARG A 55 -8.445 0.573 2.669 1.00 0.00 C ATOM 818 O ARG A 55 -7.513 1.254 2.247 1.00 0.00 O ATOM 819 CB ARG A 55 -9.758 -1.008 1.178 1.00 0.00 C ATOM 820 CG ARG A 55 -10.012 0.166 0.209 1.00 0.00 C ATOM 821 CD ARG A 55 -11.278 0.961 0.576 1.00 0.00 C ATOM 822 NE ARG A 55 -12.477 0.296 0.041 1.00 0.00 N ATOM 823 CZ ARG A 55 -13.683 0.824 -0.201 1.00 0.00 C ATOM 824 NH1 ARG A 55 -13.967 2.081 0.126 1.00 0.00 N ATOM 825 NH2 ARG A 55 -14.613 0.062 -0.768 1.00 0.00 N ATOM 0 H ARG A 55 -9.646 -2.350 3.199 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.680 -1.120 1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.579 -1.904 0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.671 -1.180 1.747 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.151 0.834 0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.108 -0.218 -0.807 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.357 1.050 1.659 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.208 1.973 0.177 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.376 -0.696 -0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.259 2.665 0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.893 2.462 -0.068 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.401 -0.906 -1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.538 0.445 -0.961 1.00 0.00 H new ATOM 839 N HIS A 56 -9.337 1.037 3.542 1.00 0.00 N ATOM 840 CA HIS A 56 -9.233 2.383 4.061 1.00 0.00 C ATOM 841 C HIS A 56 -7.951 2.562 4.864 1.00 0.00 C ATOM 842 O HIS A 56 -7.412 3.657 4.805 1.00 0.00 O ATOM 843 CB HIS A 56 -10.472 2.765 4.882 1.00 0.00 C ATOM 844 CG HIS A 56 -11.683 2.990 4.011 1.00 0.00 C ATOM 845 ND1 HIS A 56 -12.927 2.430 4.187 1.00 0.00 N ATOM 846 CD2 HIS A 56 -11.739 3.784 2.895 1.00 0.00 C ATOM 847 CE1 HIS A 56 -13.710 2.859 3.188 1.00 0.00 C ATOM 848 NE2 HIS A 56 -13.024 3.668 2.358 1.00 0.00 N ATOM 0 H HIS A 56 -10.129 0.501 3.897 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.188 3.064 3.212 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.686 1.976 5.603 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.263 3.670 5.453 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -13.203 1.802 4.942 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -10.936 4.389 2.502 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.749 2.592 3.065 1.00 0.00 H new ATOM 856 N ALA A 57 -7.436 1.547 5.564 1.00 0.00 N ATOM 857 CA ALA A 57 -6.221 1.642 6.359 1.00 0.00 C ATOM 858 C ALA A 57 -5.007 1.864 5.464 1.00 0.00 C ATOM 859 O ALA A 57 -4.239 2.808 5.679 1.00 0.00 O ATOM 860 CB ALA A 57 -6.057 0.381 7.217 1.00 0.00 C ATOM 0 H ALA A 57 -7.864 0.622 5.591 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.300 2.502 7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.145 0.460 7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.914 0.280 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.995 -0.494 6.570 1.00 0.00 H new ATOM 866 N ILE A 58 -4.819 1.013 4.448 1.00 0.00 N ATOM 867 CA ILE A 58 -3.697 1.138 3.542 1.00 0.00 C ATOM 868 C ILE A 58 -3.799 2.441 2.766 1.00 0.00 C ATOM 869 O ILE A 58 -2.847 3.223 2.763 1.00 0.00 O ATOM 870 CB ILE A 58 -3.583 -0.105 2.627 1.00 0.00 C ATOM 871 CG1 ILE A 58 -2.662 0.120 1.412 1.00 0.00 C ATOM 872 CG2 ILE A 58 -4.881 -0.666 2.021 1.00 0.00 C ATOM 873 CD1 ILE A 58 -1.310 0.775 1.692 1.00 0.00 C ATOM 0 H ILE A 58 -5.439 0.230 4.242 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.771 1.177 4.115 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.192 -0.820 3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.482 -0.845 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.196 0.736 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.649 -1.534 1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.559 -0.961 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.356 0.099 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.756 0.879 0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.467 1.760 2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.742 0.154 2.385 1.00 0.00 H new ATOM 885 N TRP A 59 -4.944 2.672 2.125 1.00 0.00 N ATOM 886 CA TRP A 59 -5.145 3.864 1.324 1.00 0.00 C ATOM 887 C TRP A 59 -4.944 5.114 2.168 1.00 0.00 C ATOM 888 O TRP A 59 -4.279 6.046 1.726 1.00 0.00 O ATOM 889 CB TRP A 59 -6.482 3.810 0.592 1.00 0.00 C ATOM 890 CG TRP A 59 -6.470 4.514 -0.723 1.00 0.00 C ATOM 891 CD1 TRP A 59 -5.748 4.148 -1.807 1.00 0.00 C ATOM 892 CD2 TRP A 59 -7.168 5.730 -1.107 1.00 0.00 C ATOM 893 NE1 TRP A 59 -6.014 5.010 -2.850 1.00 0.00 N ATOM 894 CE2 TRP A 59 -6.903 5.992 -2.481 1.00 0.00 C ATOM 895 CE3 TRP A 59 -7.972 6.654 -0.416 1.00 0.00 C ATOM 896 CZ2 TRP A 59 -7.461 7.085 -3.157 1.00 0.00 C ATOM 897 CZ3 TRP A 59 -8.547 7.753 -1.080 1.00 0.00 C ATOM 898 CH2 TRP A 59 -8.303 7.959 -2.451 1.00 0.00 C ATOM 0 H TRP A 59 -5.746 2.042 2.149 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.388 3.909 0.541 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.759 2.768 0.434 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.252 4.252 1.225 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.068 3.310 -1.849 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -5.602 4.929 -3.780 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.151 6.518 0.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -7.247 7.252 -4.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.178 8.441 -0.536 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.765 8.791 -2.961 1.00 0.00 H new ATOM 909 N LYS A 60 -5.472 5.139 3.396 1.00 0.00 N ATOM 910 CA LYS A 60 -5.294 6.283 4.276 1.00 0.00 C ATOM 911 C LYS A 60 -3.817 6.454 4.565 1.00 0.00 C ATOM 912 O LYS A 60 -3.366 7.582 4.578 1.00 0.00 O ATOM 913 CB LYS A 60 -6.050 6.098 5.600 1.00 0.00 C ATOM 914 CG LYS A 60 -6.026 7.332 6.502 1.00 0.00 C ATOM 915 CD LYS A 60 -5.209 7.136 7.785 1.00 0.00 C ATOM 916 CE LYS A 60 -5.329 8.365 8.692 1.00 0.00 C ATOM 917 NZ LYS A 60 -6.736 8.717 8.996 1.00 0.00 N ATOM 0 H LYS A 60 -6.023 4.380 3.796 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.695 7.166 3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.086 5.838 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.617 5.256 6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.614 8.173 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.049 7.597 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.560 6.250 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.163 6.963 7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.796 8.177 9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.842 9.214 8.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.767 9.324 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.149 9.225 8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.280 7.849 9.174 1.00 0.00 H new ATOM 931 N GLY A 61 -3.068 5.374 4.786 1.00 0.00 N ATOM 932 CA GLY A 61 -1.654 5.486 5.095 1.00 0.00 C ATOM 933 C GLY A 61 -0.851 6.116 3.980 1.00 0.00 C ATOM 934 O GLY A 61 -0.138 7.086 4.210 1.00 0.00 O ATOM 0 H GLY A 61 -3.421 4.417 4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.532 6.078 6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.255 4.494 5.306 1.00 0.00 H new ATOM 938 N ILE A 62 -0.995 5.606 2.760 1.00 0.00 N ATOM 939 CA ILE A 62 -0.242 6.158 1.640 1.00 0.00 C ATOM 940 C ILE A 62 -0.672 7.576 1.327 1.00 0.00 C ATOM 941 O ILE A 62 0.180 8.437 1.143 1.00 0.00 O ATOM 942 CB ILE A 62 -0.287 5.235 0.427 1.00 0.00 C ATOM 943 CG1 ILE A 62 0.626 5.706 -0.726 1.00 0.00 C ATOM 944 CG2 ILE A 62 -1.686 4.932 -0.131 1.00 0.00 C ATOM 945 CD1 ILE A 62 2.104 5.845 -0.350 1.00 0.00 C ATOM 0 H ILE A 62 -1.612 4.829 2.525 1.00 0.00 H new ATOM 0 HA ILE A 62 0.805 6.218 1.935 1.00 0.00 H new ATOM 0 HB ILE A 62 0.093 4.300 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.539 5.001 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.264 6.668 -1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.599 4.267 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.289 4.451 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.164 5.862 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.671 6.180 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.208 6.574 0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.487 4.880 -0.017 1.00 0.00 H new ATOM 957 N LEU A 63 -1.987 7.827 1.294 1.00 0.00 N ATOM 958 CA LEU A 63 -2.467 9.176 1.019 1.00 0.00 C ATOM 959 C LEU A 63 -1.979 10.120 2.124 1.00 0.00 C ATOM 960 O LEU A 63 -1.797 11.306 1.886 1.00 0.00 O ATOM 961 CB LEU A 63 -3.999 9.231 0.870 1.00 0.00 C ATOM 962 CG LEU A 63 -4.534 9.029 -0.566 1.00 0.00 C ATOM 963 CD1 LEU A 63 -4.124 10.181 -1.482 1.00 0.00 C ATOM 964 CD2 LEU A 63 -4.086 7.729 -1.237 1.00 0.00 C ATOM 0 H LEU A 63 -2.716 7.131 1.450 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.058 9.499 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.437 8.468 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.348 10.196 1.237 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.615 8.987 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.517 10.007 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.526 11.116 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.037 10.243 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.509 7.673 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.998 7.708 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.432 6.878 -0.649 1.00 0.00 H new ATOM 976 N ASP A 64 -1.831 9.605 3.344 1.00 0.00 N ATOM 977 CA ASP A 64 -1.377 10.402 4.495 1.00 0.00 C ATOM 978 C ASP A 64 0.116 10.687 4.382 1.00 0.00 C ATOM 979 O ASP A 64 0.569 11.776 4.728 1.00 0.00 O ATOM 980 CB ASP A 64 -1.727 9.701 5.820 1.00 0.00 C ATOM 981 CG ASP A 64 -1.337 10.442 7.093 1.00 0.00 C ATOM 982 OD1 ASP A 64 -0.638 9.826 7.935 1.00 0.00 O ATOM 983 OD2 ASP A 64 -1.931 11.516 7.363 1.00 0.00 O ATOM 0 H ASP A 64 -2.020 8.628 3.567 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.901 11.358 4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.802 9.525 5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.244 8.724 5.830 1.00 0.00 H new ATOM 988 N HIS A 65 0.879 9.718 3.893 1.00 0.00 N ATOM 989 CA HIS A 65 2.314 9.799 3.703 1.00 0.00 C ATOM 990 C HIS A 65 2.567 10.846 2.633 1.00 0.00 C ATOM 991 O HIS A 65 3.232 11.836 2.904 1.00 0.00 O ATOM 992 CB HIS A 65 2.873 8.424 3.309 1.00 0.00 C ATOM 993 CG HIS A 65 4.277 8.469 2.754 1.00 0.00 C ATOM 994 ND1 HIS A 65 5.440 8.595 3.482 1.00 0.00 N ATOM 995 CD2 HIS A 65 4.621 8.388 1.429 1.00 0.00 C ATOM 996 CE1 HIS A 65 6.467 8.570 2.613 1.00 0.00 C ATOM 997 NE2 HIS A 65 6.017 8.439 1.351 1.00 0.00 N ATOM 0 H HIS A 65 0.494 8.818 3.607 1.00 0.00 H new ATOM 0 HA HIS A 65 2.823 10.089 4.623 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.859 7.773 4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.214 7.974 2.567 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.938 8.301 0.597 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.508 8.645 2.890 1.00 0.00 H new ATOM 0 HE2 HIS A 65 6.583 8.387 0.504 1.00 0.00 H new ATOM 1005 N ARG A 66 1.990 10.667 1.443 1.00 0.00 N ATOM 1006 CA ARG A 66 2.163 11.612 0.352 1.00 0.00 C ATOM 1007 C ARG A 66 1.558 12.971 0.688 1.00 0.00 C ATOM 1008 O ARG A 66 2.008 13.963 0.127 1.00 0.00 O ATOM 1009 CB ARG A 66 1.632 11.001 -0.951 1.00 0.00 C ATOM 1010 CG ARG A 66 0.110 10.804 -0.925 1.00 0.00 C ATOM 1011 CD ARG A 66 -0.666 11.967 -1.533 1.00 0.00 C ATOM 1012 NE ARG A 66 -0.518 11.939 -2.989 1.00 0.00 N ATOM 1013 CZ ARG A 66 -0.124 12.943 -3.770 1.00 0.00 C ATOM 1014 NH1 ARG A 66 -0.076 14.189 -3.322 1.00 0.00 N ATOM 1015 NH2 ARG A 66 0.207 12.692 -5.025 1.00 0.00 N ATOM 0 H ARG A 66 1.396 9.869 1.215 1.00 0.00 H new ATOM 0 HA ARG A 66 3.225 11.806 0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.898 11.647 -1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.117 10.040 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.139 9.890 -1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.212 10.663 0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.719 11.898 -1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.296 12.913 -1.137 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.740 11.059 -3.454 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.344 14.396 -2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.229 14.941 -3.939 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.159 11.739 -5.384 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.510 13.452 -5.634 1.00 0.00 H new ATOM 1029 N GLN A 67 0.530 13.066 1.545 1.00 0.00 N ATOM 1030 CA GLN A 67 -0.002 14.381 1.871 1.00 0.00 C ATOM 1031 C GLN A 67 0.950 15.115 2.835 1.00 0.00 C ATOM 1032 O GLN A 67 1.043 16.343 2.784 1.00 0.00 O ATOM 1033 CB GLN A 67 -1.426 14.266 2.448 1.00 0.00 C ATOM 1034 CG GLN A 67 -1.956 15.661 2.782 1.00 0.00 C ATOM 1035 CD GLN A 67 -3.411 15.764 3.228 1.00 0.00 C ATOM 1036 OE1 GLN A 67 -4.165 14.797 3.285 1.00 0.00 O ATOM 1037 NE2 GLN A 67 -3.840 16.968 3.586 1.00 0.00 N ATOM 0 H GLN A 67 0.072 12.279 2.004 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.072 14.972 0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.083 13.779 1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.418 13.645 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.330 16.081 3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.827 16.291 1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.210 17.769 3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.799 17.092 3.910 1.00 0.00 H new ATOM 1046 N LEU A 68 1.671 14.396 3.700 1.00 0.00 N ATOM 1047 CA LEU A 68 2.575 14.973 4.690 1.00 0.00 C ATOM 1048 C LEU A 68 4.052 14.996 4.295 1.00 0.00 C ATOM 1049 O LEU A 68 4.815 15.711 4.954 1.00 0.00 O ATOM 1050 CB LEU A 68 2.415 14.177 6.000 1.00 0.00 C ATOM 1051 CG LEU A 68 1.004 14.240 6.619 1.00 0.00 C ATOM 1052 CD1 LEU A 68 0.895 13.226 7.754 1.00 0.00 C ATOM 1053 CD2 LEU A 68 0.680 15.631 7.162 1.00 0.00 C ATOM 0 H LEU A 68 1.640 13.377 3.730 1.00 0.00 H new ATOM 0 HA LEU A 68 2.291 16.021 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.668 13.134 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.134 14.552 6.728 1.00 0.00 H new ATOM 0 HG LEU A 68 0.289 14.008 5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.103 13.273 8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.074 12.224 7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.636 13.456 8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.323 15.630 7.589 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.402 15.898 7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.729 16.358 6.352 1.00 0.00 H new ATOM 1065 N HIS A 69 4.465 14.255 3.270 1.00 0.00 N ATOM 1066 CA HIS A 69 5.824 14.123 2.766 1.00 0.00 C ATOM 1067 C HIS A 69 5.854 14.185 1.236 1.00 0.00 C ATOM 1068 O HIS A 69 4.825 14.271 0.567 1.00 0.00 O ATOM 1069 CB HIS A 69 6.397 12.782 3.276 1.00 0.00 C ATOM 1070 CG HIS A 69 7.369 12.948 4.408 1.00 0.00 C ATOM 1071 ND1 HIS A 69 8.695 12.584 4.399 1.00 0.00 N ATOM 1072 CD2 HIS A 69 7.089 13.470 5.639 1.00 0.00 C ATOM 1073 CE1 HIS A 69 9.215 12.899 5.591 1.00 0.00 C ATOM 1074 NE2 HIS A 69 8.269 13.424 6.391 1.00 0.00 N ATOM 0 H HIS A 69 3.808 13.690 2.732 1.00 0.00 H new ATOM 0 HA HIS A 69 6.434 14.950 3.128 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.576 12.143 3.601 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.893 12.269 2.452 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.133 13.848 5.971 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.248 12.753 5.871 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.388 13.729 7.357 1.00 0.00 H new ATOM 1082 N ASP A 70 7.062 14.128 0.687 1.00 0.00 N ATOM 1083 CA ASP A 70 7.359 14.167 -0.734 1.00 0.00 C ATOM 1084 C ASP A 70 8.483 13.181 -0.961 1.00 0.00 C ATOM 1085 O ASP A 70 9.547 13.331 -0.324 1.00 0.00 O ATOM 1086 CB ASP A 70 7.745 15.595 -1.134 1.00 0.00 C ATOM 1087 CG ASP A 70 7.855 15.745 -2.643 1.00 0.00 C ATOM 1088 OD1 ASP A 70 7.046 16.507 -3.213 1.00 0.00 O ATOM 1089 OD2 ASP A 70 8.759 15.138 -3.263 1.00 0.00 O ATOM 0 H ASP A 70 7.905 14.049 1.256 1.00 0.00 H new ATOM 0 HA ASP A 70 6.502 13.893 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.001 16.294 -0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.696 15.858 -0.672 1.00 0.00 H new TER 1094 ASP A 70