USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 470 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 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -126:sc= 0.431 (180deg=-1.48!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 157:sc= 0 (180deg=-0.0696) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= 0.122 F(o=-2.2!,f=0.12) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= 0.0824 K(o=0.082,f=-4.1!) USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= -0.0176 (180deg=-0.359) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= -0.029 (180deg=-0.408) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= -0.0196 (180deg=-0.369) USER MOD Single : A 54 ASN : amide:sc= -0.0688 K(o=-0.069,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 -12.979 -9.385 -11.442 1.00 0.00 N ATOM 2 CA ILE A 5 -12.142 -8.802 -12.546 1.00 0.00 C ATOM 3 C ILE A 5 -10.970 -8.037 -11.909 1.00 0.00 C ATOM 4 O ILE A 5 -10.505 -7.035 -12.425 1.00 0.00 O ATOM 5 CB ILE A 5 -13.042 -7.774 -13.441 1.00 0.00 C ATOM 6 CG1 ILE A 5 -14.361 -8.541 -14.002 1.00 0.00 C ATOM 7 CG2 ILE A 5 -12.166 -7.099 -14.673 1.00 0.00 C ATOM 8 CD1 ILE A 5 -15.452 -7.529 -14.495 1.00 0.00 C ATOM 0 HA ILE A 5 -11.770 -9.597 -13.192 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.360 -6.952 -12.800 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -14.078 -9.200 -14.823 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.777 -9.172 -13.216 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -12.802 -6.422 -15.243 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -11.324 -6.544 -14.259 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.794 -7.886 -15.329 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -16.318 -8.079 -14.863 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -15.754 -6.887 -13.667 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -15.043 -6.916 -15.298 1.00 0.00 H new ATOM 20 N MET A 6 -10.511 -8.533 -10.759 1.00 0.00 N ATOM 21 CA MET A 6 -9.368 -7.888 -10.023 1.00 0.00 C ATOM 22 C MET A 6 -9.565 -6.347 -9.923 1.00 0.00 C ATOM 23 O MET A 6 -8.605 -5.580 -9.880 1.00 0.00 O ATOM 24 CB MET A 6 -8.019 -8.221 -10.808 1.00 0.00 C ATOM 25 CG MET A 6 -7.736 -9.756 -10.769 1.00 0.00 C ATOM 26 SD MET A 6 -6.184 -10.115 -11.643 1.00 0.00 S ATOM 27 CE MET A 6 -6.275 -11.917 -11.571 1.00 0.00 C ATOM 0 H MET A 6 -10.890 -9.364 -10.305 1.00 0.00 H new ATOM 0 HA MET A 6 -9.323 -8.279 -9.007 1.00 0.00 H new ATOM 0 HB2 MET A 6 -8.099 -7.885 -11.842 1.00 0.00 H new ATOM 0 HB3 MET A 6 -7.186 -7.679 -10.360 1.00 0.00 H new ATOM 0 HG2 MET A 6 -7.670 -10.097 -9.736 1.00 0.00 H new ATOM 0 HG3 MET A 6 -8.560 -10.299 -11.232 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.401 -12.345 -12.061 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.302 -12.239 -10.530 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.178 -12.256 -12.079 1.00 0.00 H new ATOM 37 N GLN A 7 -10.843 -5.917 -9.930 1.00 0.00 N ATOM 38 CA GLN A 7 -11.185 -4.492 -9.881 1.00 0.00 C ATOM 39 C GLN A 7 -10.692 -3.869 -8.570 1.00 0.00 C ATOM 40 O GLN A 7 -10.167 -2.748 -8.551 1.00 0.00 O ATOM 41 CB GLN A 7 -12.755 -4.358 -10.018 1.00 0.00 C ATOM 42 CG GLN A 7 -13.536 -4.975 -8.734 1.00 0.00 C ATOM 43 CD GLN A 7 -15.026 -5.145 -9.019 1.00 0.00 C ATOM 44 OE1 GLN A 7 -15.639 -4.314 -9.682 1.00 0.00 O ATOM 45 NE2 GLN A 7 -15.629 -6.182 -8.552 1.00 0.00 N ATOM 0 H GLN A 7 -11.650 -6.540 -9.969 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.699 -3.958 -10.697 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -13.020 -3.307 -10.132 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.084 -4.870 -10.922 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.102 -5.939 -8.471 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.401 -4.319 -7.874 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.112 -6.868 -8.002 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.624 -6.318 -8.732 1.00 0.00 H new ATOM 54 N ALA A 8 -10.872 -4.656 -7.455 1.00 0.00 N ATOM 55 CA ALA A 8 -10.466 -4.223 -6.098 1.00 0.00 C ATOM 56 C ALA A 8 -8.964 -3.992 -6.058 1.00 0.00 C ATOM 57 O ALA A 8 -8.490 -2.945 -5.588 1.00 0.00 O ATOM 58 CB ALA A 8 -10.913 -5.319 -5.036 1.00 0.00 C ATOM 0 H ALA A 8 -11.294 -5.584 -7.484 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.957 -3.283 -5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.614 -5.001 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.996 -5.438 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.435 -6.270 -5.272 1.00 0.00 H new ATOM 64 N LYS A 9 -8.192 -4.984 -6.590 1.00 0.00 N ATOM 65 CA LYS A 9 -6.713 -4.885 -6.631 1.00 0.00 C ATOM 66 C LYS A 9 -6.279 -3.775 -7.518 1.00 0.00 C ATOM 67 O LYS A 9 -5.330 -3.053 -7.206 1.00 0.00 O ATOM 68 CB LYS A 9 -6.068 -6.254 -7.136 1.00 0.00 C ATOM 69 CG LYS A 9 -6.014 -7.345 -5.966 1.00 0.00 C ATOM 70 CD LYS A 9 -7.487 -7.818 -5.502 1.00 0.00 C ATOM 71 CE LYS A 9 -7.415 -8.930 -4.407 1.00 0.00 C ATOM 72 NZ LYS A 9 -8.786 -9.291 -4.049 1.00 0.00 N ATOM 0 H LYS A 9 -8.567 -5.845 -6.988 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.369 -4.682 -5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.649 -6.644 -7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.060 -6.067 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.447 -8.211 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.481 -6.931 -5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.040 -6.962 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.039 -8.191 -6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.876 -9.800 -4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.873 -8.571 -3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.771 -10.032 -3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.281 -8.453 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.283 -9.645 -4.891 1.00 0.00 H new ATOM 86 N GLU A 10 -6.950 -3.645 -8.647 1.00 0.00 N ATOM 87 CA GLU A 10 -6.588 -2.617 -9.601 1.00 0.00 C ATOM 88 C GLU A 10 -6.819 -1.223 -8.980 1.00 0.00 C ATOM 89 O GLU A 10 -6.000 -0.325 -9.103 1.00 0.00 O ATOM 90 CB GLU A 10 -7.444 -2.785 -10.927 1.00 0.00 C ATOM 91 CG GLU A 10 -6.933 -1.770 -12.082 1.00 0.00 C ATOM 92 CD GLU A 10 -5.466 -2.132 -12.557 1.00 0.00 C ATOM 93 OE1 GLU A 10 -5.088 -3.297 -12.443 1.00 0.00 O ATOM 94 OE2 GLU A 10 -4.770 -1.240 -13.031 1.00 0.00 O ATOM 0 H GLU A 10 -7.738 -4.231 -8.923 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.532 -2.715 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.371 -3.813 -11.283 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.496 -2.596 -10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.614 -1.811 -12.932 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.954 -0.747 -11.706 1.00 0.00 H new ATOM 101 N ASP A 11 -7.980 -1.113 -8.303 1.00 0.00 N ATOM 102 CA ASP A 11 -8.393 0.168 -7.650 1.00 0.00 C ATOM 103 C ASP A 11 -7.406 0.527 -6.547 1.00 0.00 C ATOM 104 O ASP A 11 -7.048 1.704 -6.359 1.00 0.00 O ATOM 105 CB ASP A 11 -9.853 0.031 -7.046 1.00 0.00 C ATOM 106 CG ASP A 11 -10.917 0.327 -8.136 1.00 0.00 C ATOM 107 OD1 ASP A 11 -10.934 1.447 -8.620 1.00 0.00 O ATOM 108 OD2 ASP A 11 -11.686 -0.567 -8.468 1.00 0.00 O ATOM 0 H ASP A 11 -8.646 -1.877 -8.189 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.397 0.960 -8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.997 -0.974 -6.651 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.975 0.722 -6.212 1.00 0.00 H new ATOM 113 N PHE A 12 -6.945 -0.510 -5.823 1.00 0.00 N ATOM 114 CA PHE A 12 -5.990 -0.320 -4.738 1.00 0.00 C ATOM 115 C PHE A 12 -4.655 0.257 -5.288 1.00 0.00 C ATOM 116 O PHE A 12 -4.131 1.245 -4.778 1.00 0.00 O ATOM 117 CB PHE A 12 -5.748 -1.687 -4.023 1.00 0.00 C ATOM 118 CG PHE A 12 -4.821 -1.432 -2.772 1.00 0.00 C ATOM 119 CD1 PHE A 12 -5.393 -0.859 -1.589 1.00 0.00 C ATOM 120 CD2 PHE A 12 -3.414 -1.714 -2.801 1.00 0.00 C ATOM 121 CE1 PHE A 12 -4.589 -0.592 -0.473 1.00 0.00 C ATOM 122 CE2 PHE A 12 -2.628 -1.432 -1.672 1.00 0.00 C ATOM 123 CZ PHE A 12 -3.209 -0.876 -0.515 1.00 0.00 C ATOM 0 H PHE A 12 -7.222 -1.480 -5.976 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.393 0.393 -4.019 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.696 -2.126 -3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.279 -2.395 -4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.448 -0.632 -1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.963 -2.140 -3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.026 -0.169 0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.569 -1.643 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.592 -0.666 0.346 1.00 0.00 H new ATOM 133 N LYS A 13 -4.115 -0.370 -6.350 1.00 0.00 N ATOM 134 CA LYS A 13 -2.846 0.065 -6.977 1.00 0.00 C ATOM 135 C LYS A 13 -2.972 1.434 -7.541 1.00 0.00 C ATOM 136 O LYS A 13 -2.053 2.271 -7.435 1.00 0.00 O ATOM 137 CB LYS A 13 -2.472 -0.943 -8.105 1.00 0.00 C ATOM 138 CG LYS A 13 -2.048 -2.339 -7.459 1.00 0.00 C ATOM 139 CD LYS A 13 -1.679 -3.406 -8.577 1.00 0.00 C ATOM 140 CE LYS A 13 -1.240 -4.772 -7.931 1.00 0.00 C ATOM 141 NZ LYS A 13 -0.925 -5.687 -9.012 1.00 0.00 N ATOM 0 H LYS A 13 -4.538 -1.184 -6.796 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.063 0.087 -6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.320 -1.084 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.653 -0.545 -8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.194 -2.192 -6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.864 -2.720 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.538 -3.567 -9.228 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.874 -3.020 -9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.373 -4.629 -7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.039 -5.175 -7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.630 -6.603 -8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.766 -5.822 -9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.153 -5.293 -9.586 1.00 0.00 H new ATOM 155 N LYS A 14 -4.121 1.642 -8.169 1.00 0.00 N ATOM 156 CA LYS A 14 -4.413 2.905 -8.801 1.00 0.00 C ATOM 157 C LYS A 14 -4.364 4.017 -7.762 1.00 0.00 C ATOM 158 O LYS A 14 -3.878 5.111 -8.030 1.00 0.00 O ATOM 159 CB LYS A 14 -5.812 2.866 -9.483 1.00 0.00 C ATOM 160 CG LYS A 14 -6.087 4.234 -10.285 1.00 0.00 C ATOM 161 CD LYS A 14 -7.465 4.200 -11.071 1.00 0.00 C ATOM 162 CE LYS A 14 -7.669 5.562 -11.858 1.00 0.00 C ATOM 163 NZ LYS A 14 -7.795 6.653 -10.846 1.00 0.00 N ATOM 0 H LYS A 14 -4.862 0.946 -8.250 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.665 3.097 -9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.866 2.019 -10.167 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.586 2.717 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.090 5.069 -9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.273 4.411 -10.989 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.476 3.362 -11.768 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.288 4.046 -10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.825 5.751 -12.522 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.561 5.514 -12.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.672 7.185 -11.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.820 6.240 -9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.980 7.295 -10.924 1.00 0.00 H new ATOM 177 N MET A 15 -4.906 3.734 -6.593 1.00 0.00 N ATOM 178 CA MET A 15 -4.919 4.719 -5.514 1.00 0.00 C ATOM 179 C MET A 15 -3.489 4.978 -4.993 1.00 0.00 C ATOM 180 O MET A 15 -3.123 6.111 -4.736 1.00 0.00 O ATOM 181 CB MET A 15 -5.827 4.221 -4.344 1.00 0.00 C ATOM 182 CG MET A 15 -5.907 5.310 -3.148 1.00 0.00 C ATOM 183 SD MET A 15 -6.971 4.698 -1.803 1.00 0.00 S ATOM 184 CE MET A 15 -5.730 3.773 -0.823 1.00 0.00 C ATOM 0 H MET A 15 -5.341 2.841 -6.361 1.00 0.00 H new ATOM 0 HA MET A 15 -5.320 5.653 -5.908 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.830 4.019 -4.721 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.437 3.280 -3.955 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.907 5.513 -2.765 1.00 0.00 H new ATOM 0 HG3 MET A 15 -6.300 6.252 -3.531 1.00 0.00 H new ATOM 0 HE1 MET A 15 -6.212 3.328 0.047 1.00 0.00 H new ATOM 0 HE2 MET A 15 -5.294 2.986 -1.438 1.00 0.00 H new ATOM 0 HE3 MET A 15 -4.945 4.454 -0.494 1.00 0.00 H new ATOM 194 N MET A 16 -2.723 3.896 -4.792 1.00 0.00 N ATOM 195 CA MET A 16 -1.344 3.963 -4.203 1.00 0.00 C ATOM 196 C MET A 16 -0.369 4.774 -5.063 1.00 0.00 C ATOM 197 O MET A 16 0.425 5.581 -4.544 1.00 0.00 O ATOM 198 CB MET A 16 -0.799 2.500 -4.063 1.00 0.00 C ATOM 199 CG MET A 16 -1.480 1.726 -2.846 1.00 0.00 C ATOM 200 SD MET A 16 -0.954 2.438 -1.247 1.00 0.00 S ATOM 201 CE MET A 16 0.502 1.393 -0.914 1.00 0.00 C ATOM 0 H MET A 16 -3.023 2.949 -5.025 1.00 0.00 H new ATOM 0 HA MET A 16 -1.417 4.464 -3.238 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.982 1.954 -4.989 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.281 2.527 -3.917 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.565 1.782 -2.935 1.00 0.00 H new ATOM 0 HG3 MET A 16 -1.212 0.670 -2.885 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.174 1.913 -0.231 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.181 0.454 -0.462 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.023 1.186 -1.849 1.00 0.00 H new ATOM 211 N GLU A 17 -0.418 4.555 -6.365 1.00 0.00 N ATOM 212 CA GLU A 17 0.480 5.258 -7.312 1.00 0.00 C ATOM 213 C GLU A 17 0.098 6.753 -7.388 1.00 0.00 C ATOM 214 O GLU A 17 0.963 7.634 -7.500 1.00 0.00 O ATOM 215 CB GLU A 17 0.408 4.536 -8.724 1.00 0.00 C ATOM 216 CG GLU A 17 -0.979 4.778 -9.454 1.00 0.00 C ATOM 217 CD GLU A 17 -1.142 3.881 -10.692 1.00 0.00 C ATOM 218 OE1 GLU A 17 -1.230 2.678 -10.497 1.00 0.00 O ATOM 219 OE2 GLU A 17 -1.186 4.397 -11.794 1.00 0.00 O ATOM 0 H GLU A 17 -1.063 3.900 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 17 1.513 5.214 -6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.217 4.899 -9.357 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.564 3.465 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.794 4.585 -8.757 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.055 5.824 -9.751 1.00 0.00 H new ATOM 226 N GLU A 18 -1.246 7.002 -7.334 1.00 0.00 N ATOM 227 CA GLU A 18 -1.824 8.384 -7.406 1.00 0.00 C ATOM 228 C GLU A 18 -1.736 9.087 -6.069 1.00 0.00 C ATOM 229 O GLU A 18 -1.835 10.326 -6.026 1.00 0.00 O ATOM 230 CB GLU A 18 -3.348 8.334 -7.853 1.00 0.00 C ATOM 231 CG GLU A 18 -3.512 7.858 -9.380 1.00 0.00 C ATOM 232 CD GLU A 18 -4.989 7.745 -9.816 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.864 8.029 -9.012 1.00 0.00 O ATOM 234 OE2 GLU A 18 -5.207 7.365 -10.956 1.00 0.00 O ATOM 0 H GLU A 18 -1.948 6.267 -7.241 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.240 8.937 -8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.895 7.654 -7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.794 9.321 -7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.998 8.564 -10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.025 6.891 -9.509 1.00 0.00 H new ATOM 241 N ALA A 19 -1.596 8.305 -4.976 1.00 0.00 N ATOM 242 CA ALA A 19 -1.527 8.852 -3.612 1.00 0.00 C ATOM 243 C ALA A 19 -0.102 9.123 -3.247 1.00 0.00 C ATOM 244 O ALA A 19 0.193 9.300 -2.065 1.00 0.00 O ATOM 245 CB ALA A 19 -2.138 7.837 -2.581 1.00 0.00 C ATOM 0 H ALA A 19 -1.529 7.288 -5.018 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.099 9.779 -3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.079 8.258 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.181 7.646 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.579 6.902 -2.616 1.00 0.00 H new ATOM 251 N LYS A 20 0.811 9.084 -4.271 1.00 0.00 N ATOM 252 CA LYS A 20 2.258 9.231 -4.040 1.00 0.00 C ATOM 253 C LYS A 20 2.519 9.970 -2.721 1.00 0.00 C ATOM 254 O LYS A 20 2.060 11.111 -2.562 1.00 0.00 O ATOM 255 CB LYS A 20 2.914 10.057 -5.197 1.00 0.00 C ATOM 256 CG LYS A 20 4.536 9.889 -5.179 1.00 0.00 C ATOM 257 CD LYS A 20 4.994 8.612 -6.066 1.00 0.00 C ATOM 258 CE LYS A 20 5.144 9.027 -7.578 1.00 0.00 C ATOM 259 NZ LYS A 20 5.359 7.837 -8.363 1.00 0.00 N ATOM 0 H LYS A 20 0.557 8.952 -5.250 1.00 0.00 H new ATOM 0 HA LYS A 20 2.691 8.231 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.520 9.724 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.651 11.110 -5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.004 10.794 -5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.882 9.767 -4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.941 8.221 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.260 7.812 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.249 9.548 -7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.979 9.717 -7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.460 8.096 -9.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.225 7.360 -8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.548 7.196 -8.251 1.00 0.00 H new ATOM 273 N PHE A 21 3.194 9.288 -1.780 1.00 0.00 N ATOM 274 CA PHE A 21 3.458 9.834 -0.449 1.00 0.00 C ATOM 275 C PHE A 21 4.877 9.536 -0.062 1.00 0.00 C ATOM 276 O PHE A 21 5.609 8.831 -0.804 1.00 0.00 O ATOM 277 CB PHE A 21 2.441 9.202 0.557 1.00 0.00 C ATOM 278 CG PHE A 21 2.638 7.620 0.580 1.00 0.00 C ATOM 279 CD1 PHE A 21 2.046 6.792 -0.427 1.00 0.00 C ATOM 280 CD2 PHE A 21 3.431 7.010 1.586 1.00 0.00 C ATOM 281 CE1 PHE A 21 2.252 5.401 -0.417 1.00 0.00 C ATOM 282 CE2 PHE A 21 3.630 5.612 1.588 1.00 0.00 C ATOM 283 CZ PHE A 21 3.042 4.813 0.582 1.00 0.00 C ATOM 0 H PHE A 21 3.567 8.350 -1.924 1.00 0.00 H new ATOM 0 HA PHE A 21 3.331 10.916 -0.439 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.595 9.614 1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.421 9.449 0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.437 7.239 -1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.885 7.618 2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.801 4.784 -1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.232 5.153 2.359 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.201 3.745 0.582 1.00 0.00 H new ATOM 293 N ASN A 22 5.271 10.108 1.100 1.00 0.00 N ATOM 294 CA ASN A 22 6.624 9.944 1.622 1.00 0.00 C ATOM 295 C ASN A 22 7.030 8.415 1.610 1.00 0.00 C ATOM 296 O ASN A 22 6.316 7.589 2.191 1.00 0.00 O ATOM 297 CB ASN A 22 6.738 10.537 3.066 1.00 0.00 C ATOM 298 CG ASN A 22 6.530 12.048 3.000 1.00 0.00 C ATOM 299 OD1 ASN A 22 5.354 12.497 2.698 1.00 0.00 O flip ATOM 300 ND2 ASN A 22 7.475 12.828 3.169 1.00 0.00 N flip ATOM 0 H ASN A 22 4.664 10.683 1.683 1.00 0.00 H new ATOM 0 HA ASN A 22 7.313 10.492 0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.993 10.083 3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.716 10.310 3.490 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.399 12.466 3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.331 13.833 3.071 1.00 0.00 H new ATOM 307 N PRO A 23 8.129 8.015 0.920 1.00 0.00 N ATOM 308 CA PRO A 23 8.548 6.548 0.833 1.00 0.00 C ATOM 309 C PRO A 23 9.047 5.997 2.166 1.00 0.00 C ATOM 310 O PRO A 23 9.138 4.774 2.331 1.00 0.00 O ATOM 311 CB PRO A 23 9.669 6.574 -0.270 1.00 0.00 C ATOM 312 CG PRO A 23 10.268 7.977 -0.198 1.00 0.00 C ATOM 313 CD PRO A 23 9.117 8.909 0.185 1.00 0.00 C ATOM 0 HA PRO A 23 7.721 5.883 0.585 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.426 5.812 -0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.254 6.373 -1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.068 8.022 0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.701 8.266 -1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.462 9.725 0.820 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.663 9.361 -0.697 1.00 0.00 H new ATOM 321 N ARG A 24 9.380 6.917 3.110 1.00 0.00 N ATOM 322 CA ARG A 24 9.915 6.526 4.451 1.00 0.00 C ATOM 323 C ARG A 24 8.812 6.357 5.466 1.00 0.00 C ATOM 324 O ARG A 24 9.076 5.965 6.604 1.00 0.00 O ATOM 325 CB ARG A 24 10.931 7.618 4.940 1.00 0.00 C ATOM 326 CG ARG A 24 12.211 7.676 3.968 1.00 0.00 C ATOM 327 CD ARG A 24 13.222 8.793 4.463 1.00 0.00 C ATOM 328 NE ARG A 24 12.548 10.123 4.317 1.00 0.00 N ATOM 329 CZ ARG A 24 12.471 10.793 3.132 1.00 0.00 C ATOM 330 NH1 ARG A 24 12.938 10.259 2.030 1.00 0.00 N ATOM 331 NH2 ARG A 24 11.874 11.953 3.086 1.00 0.00 N ATOM 0 H ARG A 24 9.291 7.924 2.974 1.00 0.00 H new ATOM 0 HA ARG A 24 10.418 5.564 4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.442 8.592 4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.250 7.395 5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.708 6.706 3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.893 7.889 2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.503 8.620 5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.140 8.764 3.876 1.00 0.00 H new ATOM 0 HE ARG A 24 12.127 10.547 5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.365 9.333 2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.875 10.770 1.149 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.469 12.352 3.933 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.812 12.460 2.203 1.00 0.00 H new ATOM 345 N ALA A 25 7.560 6.622 5.035 1.00 0.00 N ATOM 346 CA ALA A 25 6.396 6.443 5.912 1.00 0.00 C ATOM 347 C ALA A 25 6.143 4.947 6.036 1.00 0.00 C ATOM 348 O ALA A 25 6.557 4.168 5.157 1.00 0.00 O ATOM 349 CB ALA A 25 5.156 7.177 5.307 1.00 0.00 C ATOM 0 H ALA A 25 7.337 6.956 4.097 1.00 0.00 H new ATOM 0 HA ALA A 25 6.578 6.870 6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.296 7.040 5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.374 8.241 5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.932 6.763 4.324 1.00 0.00 H new ATOM 355 N THR A 26 5.487 4.567 7.137 1.00 0.00 N ATOM 356 CA THR A 26 5.155 3.179 7.449 1.00 0.00 C ATOM 357 C THR A 26 3.711 2.943 7.064 1.00 0.00 C ATOM 358 O THR A 26 2.951 3.893 6.800 1.00 0.00 O ATOM 359 CB THR A 26 5.371 2.916 9.002 1.00 0.00 C ATOM 360 OG1 THR A 26 4.457 3.711 9.740 1.00 0.00 O ATOM 361 CG2 THR A 26 6.854 3.302 9.437 1.00 0.00 C ATOM 0 H THR A 26 5.168 5.228 7.846 1.00 0.00 H new ATOM 0 HA THR A 26 5.798 2.495 6.895 1.00 0.00 H new ATOM 0 HB THR A 26 5.206 1.857 9.203 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.585 3.552 10.698 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.981 3.115 10.503 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.567 2.698 8.875 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.031 4.358 9.231 1.00 0.00 H new ATOM 369 N PHE A 27 3.354 1.661 7.052 1.00 0.00 N ATOM 370 CA PHE A 27 2.005 1.216 6.730 1.00 0.00 C ATOM 371 C PHE A 27 0.972 1.791 7.728 1.00 0.00 C ATOM 372 O PHE A 27 -0.098 2.243 7.323 1.00 0.00 O ATOM 373 CB PHE A 27 1.959 -0.348 6.759 1.00 0.00 C ATOM 374 CG PHE A 27 0.454 -0.801 6.597 1.00 0.00 C ATOM 375 CD1 PHE A 27 -0.210 -0.624 5.345 1.00 0.00 C ATOM 376 CD2 PHE A 27 -0.287 -1.334 7.710 1.00 0.00 C ATOM 377 CE1 PHE A 27 -1.549 -0.977 5.205 1.00 0.00 C ATOM 378 CE2 PHE A 27 -1.632 -1.687 7.550 1.00 0.00 C ATOM 379 CZ PHE A 27 -2.261 -1.510 6.303 1.00 0.00 C ATOM 0 H PHE A 27 3.998 0.899 7.267 1.00 0.00 H new ATOM 0 HA PHE A 27 1.747 1.578 5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.569 -0.761 5.956 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.370 -0.723 7.696 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.329 -0.215 4.503 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.195 -1.461 8.668 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.045 -0.843 4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.187 -2.095 8.382 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.299 -1.785 6.184 1.00 0.00 H new ATOM 389 N SER A 28 1.308 1.741 9.030 1.00 0.00 N ATOM 390 CA SER A 28 0.404 2.251 10.102 1.00 0.00 C ATOM 391 C SER A 28 0.044 3.728 9.851 1.00 0.00 C ATOM 392 O SER A 28 -1.107 4.129 10.021 1.00 0.00 O ATOM 393 CB SER A 28 1.125 2.101 11.487 1.00 0.00 C ATOM 394 OG SER A 28 1.372 0.740 11.728 1.00 0.00 O ATOM 0 H SER A 28 2.189 1.358 9.373 1.00 0.00 H new ATOM 0 HA SER A 28 -0.520 1.672 10.100 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.061 2.659 11.487 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.506 2.518 12.281 1.00 0.00 H new ATOM 0 HG SER A 28 1.824 0.637 12.591 1.00 0.00 H new ATOM 400 N GLU A 29 1.037 4.519 9.417 1.00 0.00 N ATOM 401 CA GLU A 29 0.840 5.970 9.118 1.00 0.00 C ATOM 402 C GLU A 29 0.004 6.171 7.858 1.00 0.00 C ATOM 403 O GLU A 29 -0.943 6.987 7.830 1.00 0.00 O ATOM 404 CB GLU A 29 2.264 6.657 8.947 1.00 0.00 C ATOM 405 CG GLU A 29 3.050 6.684 10.351 1.00 0.00 C ATOM 406 CD GLU A 29 2.300 7.596 11.384 1.00 0.00 C ATOM 407 OE1 GLU A 29 2.073 8.747 11.052 1.00 0.00 O ATOM 408 OE2 GLU A 29 1.966 7.116 12.464 1.00 0.00 O ATOM 0 H GLU A 29 1.990 4.190 9.261 1.00 0.00 H new ATOM 0 HA GLU A 29 0.299 6.429 9.946 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.850 6.113 8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.141 7.673 8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.136 5.672 10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.064 7.054 10.200 1.00 0.00 H new ATOM 415 N PHE A 30 0.349 5.410 6.820 1.00 0.00 N ATOM 416 CA PHE A 30 -0.349 5.493 5.540 1.00 0.00 C ATOM 417 C PHE A 30 -1.832 5.040 5.672 1.00 0.00 C ATOM 418 O PHE A 30 -2.758 5.701 5.172 1.00 0.00 O ATOM 419 CB PHE A 30 0.393 4.594 4.512 1.00 0.00 C ATOM 420 CG PHE A 30 -0.357 4.714 3.127 1.00 0.00 C ATOM 421 CD1 PHE A 30 -0.149 5.869 2.313 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.298 3.711 2.701 1.00 0.00 C ATOM 423 CE1 PHE A 30 -0.851 6.015 1.104 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.997 3.878 1.492 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.774 5.025 0.696 1.00 0.00 C ATOM 0 H PHE A 30 1.108 4.729 6.842 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.352 6.530 5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.432 4.908 4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.405 3.558 4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.549 6.631 2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.467 2.834 3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.685 6.885 0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.705 3.129 1.171 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.313 5.146 -0.232 1.00 0.00 H new ATOM 435 N ALA A 31 -2.021 3.882 6.360 1.00 0.00 N ATOM 436 CA ALA A 31 -3.365 3.288 6.573 1.00 0.00 C ATOM 437 C ALA A 31 -4.218 4.191 7.450 1.00 0.00 C ATOM 438 O ALA A 31 -5.385 4.342 7.197 1.00 0.00 O ATOM 439 CB ALA A 31 -3.223 1.880 7.245 1.00 0.00 C ATOM 0 H ALA A 31 -1.260 3.344 6.775 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.853 3.181 5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.212 1.449 7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.639 1.226 6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.719 1.985 8.206 1.00 0.00 H new ATOM 445 N ALA A 32 -3.589 4.792 8.478 1.00 0.00 N ATOM 446 CA ALA A 32 -4.296 5.709 9.429 1.00 0.00 C ATOM 447 C ALA A 32 -4.927 6.866 8.674 1.00 0.00 C ATOM 448 O ALA A 32 -6.028 7.331 9.022 1.00 0.00 O ATOM 449 CB ALA A 32 -3.275 6.263 10.497 1.00 0.00 C ATOM 0 H ALA A 32 -2.597 4.668 8.681 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.082 5.150 9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.795 6.929 11.186 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.843 5.431 11.053 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.481 6.812 9.991 1.00 0.00 H new ATOM 455 N LYS A 33 -4.219 7.346 7.646 1.00 0.00 N ATOM 456 CA LYS A 33 -4.703 8.455 6.842 1.00 0.00 C ATOM 457 C LYS A 33 -5.843 8.027 5.887 1.00 0.00 C ATOM 458 O LYS A 33 -6.810 8.787 5.681 1.00 0.00 O ATOM 459 CB LYS A 33 -3.519 9.065 6.040 1.00 0.00 C ATOM 460 CG LYS A 33 -3.982 10.425 5.306 1.00 0.00 C ATOM 461 CD LYS A 33 -2.782 11.134 4.572 1.00 0.00 C ATOM 462 CE LYS A 33 -3.265 12.475 3.895 1.00 0.00 C ATOM 463 NZ LYS A 33 -2.114 13.085 3.273 1.00 0.00 N ATOM 0 H LYS A 33 -3.312 6.980 7.358 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.118 9.206 7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.685 9.271 6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.164 8.347 5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.767 10.199 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.412 11.106 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.985 11.346 5.285 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.365 10.468 3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.039 12.274 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.700 13.144 4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.398 13.975 2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.392 13.282 3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.722 12.438 2.559 1.00 0.00 H new ATOM 477 N HIS A 34 -5.682 6.833 5.259 1.00 0.00 N ATOM 478 CA HIS A 34 -6.646 6.296 4.266 1.00 0.00 C ATOM 479 C HIS A 34 -7.626 5.360 4.943 1.00 0.00 C ATOM 480 O HIS A 34 -8.441 4.754 4.280 1.00 0.00 O ATOM 481 CB HIS A 34 -5.854 5.539 3.126 1.00 0.00 C ATOM 482 CG HIS A 34 -4.972 6.524 2.385 1.00 0.00 C ATOM 483 ND1 HIS A 34 -3.815 7.021 2.951 1.00 0.00 N ATOM 484 CD2 HIS A 34 -5.068 7.116 1.149 1.00 0.00 C ATOM 485 CE1 HIS A 34 -3.267 7.869 2.068 1.00 0.00 C ATOM 486 NE2 HIS A 34 -3.993 7.960 0.955 1.00 0.00 N ATOM 0 H HIS A 34 -4.884 6.220 5.426 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.209 7.118 3.824 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.247 4.743 3.557 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.552 5.068 2.434 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.445 6.786 3.872 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.863 6.947 0.438 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.349 8.412 2.239 1.00 0.00 H new ATOM 494 N ALA A 35 -7.486 5.195 6.268 1.00 0.00 N ATOM 495 CA ALA A 35 -8.337 4.253 7.056 1.00 0.00 C ATOM 496 C ALA A 35 -9.816 4.506 6.776 1.00 0.00 C ATOM 497 O ALA A 35 -10.624 3.567 6.722 1.00 0.00 O ATOM 498 CB ALA A 35 -8.065 4.423 8.597 1.00 0.00 C ATOM 0 H ALA A 35 -6.795 5.696 6.827 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.082 3.237 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.693 3.729 9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.016 4.213 8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.297 5.445 8.897 1.00 0.00 H new ATOM 504 N LYS A 36 -10.185 5.806 6.620 1.00 0.00 N ATOM 505 CA LYS A 36 -11.591 6.213 6.375 1.00 0.00 C ATOM 506 C LYS A 36 -11.989 6.024 4.932 1.00 0.00 C ATOM 507 O LYS A 36 -13.177 6.113 4.610 1.00 0.00 O ATOM 508 CB LYS A 36 -11.734 7.726 6.748 1.00 0.00 C ATOM 509 CG LYS A 36 -11.471 7.932 8.304 1.00 0.00 C ATOM 510 CD LYS A 36 -11.625 9.478 8.715 1.00 0.00 C ATOM 511 CE LYS A 36 -11.420 9.652 10.271 1.00 0.00 C ATOM 512 NZ LYS A 36 -10.039 9.208 10.605 1.00 0.00 N ATOM 0 H LYS A 36 -9.529 6.586 6.660 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.244 5.588 6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.026 8.320 6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.732 8.080 6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.173 7.328 8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.470 7.583 8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.894 10.080 8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.612 9.842 8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.566 10.693 10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.153 9.062 10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.788 9.542 11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.992 8.169 10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.371 9.602 9.913 1.00 0.00 H new ATOM 526 N ASP A 37 -11.000 5.766 4.051 1.00 0.00 N ATOM 527 CA ASP A 37 -11.287 5.562 2.633 1.00 0.00 C ATOM 528 C ASP A 37 -11.995 4.212 2.479 1.00 0.00 C ATOM 529 O ASP A 37 -11.667 3.254 3.177 1.00 0.00 O ATOM 530 CB ASP A 37 -9.937 5.608 1.812 1.00 0.00 C ATOM 531 CG ASP A 37 -9.270 7.011 1.883 1.00 0.00 C ATOM 532 OD1 ASP A 37 -9.871 7.938 2.428 1.00 0.00 O ATOM 533 OD2 ASP A 37 -8.160 7.124 1.415 1.00 0.00 O ATOM 0 H ASP A 37 -10.013 5.697 4.300 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.936 6.348 2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.249 4.857 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.135 5.351 0.771 1.00 0.00 H new ATOM 538 N SER A 38 -12.965 4.171 1.572 1.00 0.00 N ATOM 539 CA SER A 38 -13.751 2.951 1.284 1.00 0.00 C ATOM 540 C SER A 38 -12.874 1.899 0.577 1.00 0.00 C ATOM 541 O SER A 38 -13.036 0.695 0.774 1.00 0.00 O ATOM 542 CB SER A 38 -14.967 3.327 0.404 1.00 0.00 C ATOM 543 OG SER A 38 -15.740 2.158 0.167 1.00 0.00 O ATOM 0 H SER A 38 -13.238 4.977 1.009 1.00 0.00 H new ATOM 0 HA SER A 38 -14.104 2.518 2.220 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.572 4.085 0.901 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.631 3.755 -0.540 1.00 0.00 H new ATOM 0 HG SER A 38 -16.515 2.385 -0.389 1.00 0.00 H new ATOM 549 N ARG A 39 -11.935 2.403 -0.253 1.00 0.00 N ATOM 550 CA ARG A 39 -10.982 1.544 -1.023 1.00 0.00 C ATOM 551 C ARG A 39 -10.083 0.758 -0.090 1.00 0.00 C ATOM 552 O ARG A 39 -9.598 -0.316 -0.432 1.00 0.00 O ATOM 553 CB ARG A 39 -10.126 2.429 -1.996 1.00 0.00 C ATOM 554 CG ARG A 39 -11.051 3.008 -3.178 1.00 0.00 C ATOM 555 CD ARG A 39 -10.224 3.915 -4.138 1.00 0.00 C ATOM 556 NE ARG A 39 -9.811 5.145 -3.398 1.00 0.00 N ATOM 557 CZ ARG A 39 -9.096 6.111 -3.985 1.00 0.00 C ATOM 558 NH1 ARG A 39 -8.723 5.969 -5.228 1.00 0.00 N ATOM 559 NH2 ARG A 39 -8.763 7.179 -3.315 1.00 0.00 N ATOM 0 H ARG A 39 -11.809 3.402 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.560 0.831 -1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.670 3.252 -1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.313 1.838 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.490 2.183 -3.739 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.876 3.579 -2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.346 3.380 -4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.819 4.182 -5.012 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.081 5.251 -2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.977 5.126 -5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.178 6.701 -5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.048 7.279 -2.341 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.218 7.914 -3.765 1.00 0.00 H new ATOM 573 N PHE A 40 -9.827 1.349 1.082 1.00 0.00 N ATOM 574 CA PHE A 40 -8.990 0.705 2.088 1.00 0.00 C ATOM 575 C PHE A 40 -9.707 -0.557 2.670 1.00 0.00 C ATOM 576 O PHE A 40 -9.130 -1.639 2.789 1.00 0.00 O ATOM 577 CB PHE A 40 -8.636 1.735 3.192 1.00 0.00 C ATOM 578 CG PHE A 40 -7.750 1.022 4.265 1.00 0.00 C ATOM 579 CD1 PHE A 40 -6.370 0.788 3.989 1.00 0.00 C ATOM 580 CD2 PHE A 40 -8.316 0.547 5.503 1.00 0.00 C ATOM 581 CE1 PHE A 40 -5.580 0.111 4.921 1.00 0.00 C ATOM 582 CE2 PHE A 40 -7.511 -0.124 6.423 1.00 0.00 C ATOM 583 CZ PHE A 40 -6.151 -0.346 6.138 1.00 0.00 C ATOM 0 H PHE A 40 -10.186 2.265 1.352 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.062 0.360 1.633 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.103 2.583 2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.544 2.128 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.937 1.133 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.362 0.711 5.718 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.534 -0.065 4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.931 -0.473 7.354 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.534 -0.870 6.853 1.00 0.00 H new ATOM 593 N LYS A 41 -10.991 -0.327 3.031 1.00 0.00 N ATOM 594 CA LYS A 41 -11.881 -1.372 3.646 1.00 0.00 C ATOM 595 C LYS A 41 -12.243 -2.453 2.668 1.00 0.00 C ATOM 596 O LYS A 41 -12.795 -3.482 3.062 1.00 0.00 O ATOM 597 CB LYS A 41 -13.194 -0.682 4.184 1.00 0.00 C ATOM 598 CG LYS A 41 -12.843 0.540 5.182 1.00 0.00 C ATOM 599 CD LYS A 41 -12.535 0.006 6.688 1.00 0.00 C ATOM 600 CE LYS A 41 -13.879 -0.136 7.513 1.00 0.00 C ATOM 601 NZ LYS A 41 -13.597 -0.815 8.761 1.00 0.00 N ATOM 0 H LYS A 41 -11.448 0.577 2.911 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.334 -1.841 4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.784 -0.312 3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.807 -1.417 4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.978 1.084 4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.676 1.243 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.027 -0.957 6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.862 0.698 7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.307 0.847 7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.616 -0.696 6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.475 -0.912 9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.206 -1.758 8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.907 -0.263 9.308 1.00 0.00 H new ATOM 615 N ALA A 42 -11.921 -2.212 1.388 1.00 0.00 N ATOM 616 CA ALA A 42 -12.210 -3.169 0.316 1.00 0.00 C ATOM 617 C ALA A 42 -11.421 -4.460 0.550 1.00 0.00 C ATOM 618 O ALA A 42 -11.943 -5.558 0.325 1.00 0.00 O ATOM 619 CB ALA A 42 -11.787 -2.525 -1.063 1.00 0.00 C ATOM 0 H ALA A 42 -11.459 -1.359 1.072 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.274 -3.405 0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.996 -3.226 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.351 -1.607 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.721 -2.298 -1.047 1.00 0.00 H new ATOM 625 N ILE A 43 -10.169 -4.332 1.044 1.00 0.00 N ATOM 626 CA ILE A 43 -9.333 -5.502 1.330 1.00 0.00 C ATOM 627 C ILE A 43 -9.716 -6.010 2.705 1.00 0.00 C ATOM 628 O ILE A 43 -9.741 -5.233 3.653 1.00 0.00 O ATOM 629 CB ILE A 43 -7.794 -5.101 1.319 1.00 0.00 C ATOM 630 CG1 ILE A 43 -7.386 -4.544 -0.166 1.00 0.00 C ATOM 631 CG2 ILE A 43 -6.864 -6.398 1.742 1.00 0.00 C ATOM 632 CD1 ILE A 43 -5.986 -3.856 -0.162 1.00 0.00 C ATOM 0 H ILE A 43 -9.726 -3.436 1.249 1.00 0.00 H new ATOM 0 HA ILE A 43 -9.488 -6.270 0.572 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.618 -4.310 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.383 -5.371 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.139 -3.834 -0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.813 -6.111 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.138 -6.732 2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.026 -7.209 1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.752 -3.500 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.997 -3.013 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.229 -4.574 0.154 1.00 0.00 H new ATOM 644 N GLU A 44 -10.012 -7.309 2.786 1.00 0.00 N ATOM 645 CA GLU A 44 -10.393 -7.980 4.042 1.00 0.00 C ATOM 646 C GLU A 44 -9.156 -8.452 4.810 1.00 0.00 C ATOM 647 O GLU A 44 -9.065 -8.291 6.033 1.00 0.00 O ATOM 648 CB GLU A 44 -11.280 -9.211 3.680 1.00 0.00 C ATOM 649 CG GLU A 44 -12.692 -8.721 3.060 1.00 0.00 C ATOM 650 CD GLU A 44 -13.599 -9.904 2.662 1.00 0.00 C ATOM 651 OE1 GLU A 44 -13.208 -11.043 2.868 1.00 0.00 O ATOM 652 OE2 GLU A 44 -14.683 -9.635 2.170 1.00 0.00 O ATOM 0 H GLU A 44 -9.996 -7.934 1.980 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.936 -7.280 4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.760 -9.844 2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.456 -9.816 4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.210 -8.098 3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.506 -8.099 2.185 1.00 0.00 H new ATOM 659 N LYS A 45 -8.205 -9.075 4.073 1.00 0.00 N ATOM 660 CA LYS A 45 -6.982 -9.638 4.690 1.00 0.00 C ATOM 661 C LYS A 45 -6.001 -8.542 4.989 1.00 0.00 C ATOM 662 O LYS A 45 -5.478 -7.920 4.092 1.00 0.00 O ATOM 663 CB LYS A 45 -6.315 -10.648 3.701 1.00 0.00 C ATOM 664 CG LYS A 45 -7.264 -11.904 3.464 1.00 0.00 C ATOM 665 CD LYS A 45 -6.588 -12.955 2.456 1.00 0.00 C ATOM 666 CE LYS A 45 -7.528 -14.210 2.264 1.00 0.00 C ATOM 667 NZ LYS A 45 -8.811 -13.730 1.678 1.00 0.00 N ATOM 0 H LYS A 45 -8.261 -9.199 3.062 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.259 -10.143 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.111 -10.155 2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.357 -10.979 4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.473 -12.391 4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.220 -11.571 3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.404 -12.479 1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.621 -13.272 2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.058 -14.943 1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.705 -14.705 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.332 -14.535 1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.385 -13.282 2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.612 -13.037 0.928 1.00 0.00 H new ATOM 681 N MET A 46 -5.746 -8.354 6.267 1.00 0.00 N ATOM 682 CA MET A 46 -4.801 -7.342 6.751 1.00 0.00 C ATOM 683 C MET A 46 -3.376 -7.676 6.317 1.00 0.00 C ATOM 684 O MET A 46 -2.569 -6.794 6.033 1.00 0.00 O ATOM 685 CB MET A 46 -4.921 -7.258 8.310 1.00 0.00 C ATOM 686 CG MET A 46 -6.354 -6.681 8.714 1.00 0.00 C ATOM 687 SD MET A 46 -6.494 -6.571 10.532 1.00 0.00 S ATOM 688 CE MET A 46 -5.724 -4.940 10.812 1.00 0.00 C ATOM 0 H MET A 46 -6.185 -8.896 7.011 1.00 0.00 H new ATOM 0 HA MET A 46 -5.042 -6.371 6.318 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.780 -8.246 8.748 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.135 -6.617 8.710 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.497 -5.696 8.270 1.00 0.00 H new ATOM 0 HG3 MET A 46 -7.139 -7.326 8.319 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.727 -4.714 11.878 1.00 0.00 H new ATOM 0 HE2 MET A 46 -4.697 -4.955 10.447 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.287 -4.175 10.278 1.00 0.00 H new ATOM 698 N LYS A 47 -3.080 -8.965 6.283 1.00 0.00 N ATOM 699 CA LYS A 47 -1.737 -9.457 5.899 1.00 0.00 C ATOM 700 C LYS A 47 -1.395 -9.049 4.487 1.00 0.00 C ATOM 701 O LYS A 47 -0.245 -8.704 4.178 1.00 0.00 O ATOM 702 CB LYS A 47 -1.713 -11.015 6.002 1.00 0.00 C ATOM 703 CG LYS A 47 -1.869 -11.470 7.518 1.00 0.00 C ATOM 704 CD LYS A 47 -1.848 -13.067 7.652 1.00 0.00 C ATOM 705 CE LYS A 47 -2.020 -13.490 9.164 1.00 0.00 C ATOM 706 NZ LYS A 47 -0.830 -12.983 9.904 1.00 0.00 N ATOM 0 H LYS A 47 -3.744 -9.704 6.515 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.001 -9.020 6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.519 -11.438 5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.778 -11.399 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.062 -11.042 8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.804 -11.081 7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.649 -13.500 7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.909 -13.460 7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.937 -13.071 9.578 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.095 -14.574 9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.755 -13.473 10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.028 -13.161 9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.932 -11.961 10.066 1.00 0.00 H new ATOM 720 N ASP A 48 -2.430 -9.092 3.611 1.00 0.00 N ATOM 721 CA ASP A 48 -2.251 -8.736 2.213 1.00 0.00 C ATOM 722 C ASP A 48 -1.885 -7.241 2.080 1.00 0.00 C ATOM 723 O ASP A 48 -1.136 -6.852 1.188 1.00 0.00 O ATOM 724 CB ASP A 48 -3.573 -9.034 1.394 1.00 0.00 C ATOM 725 CG ASP A 48 -3.372 -8.683 -0.107 1.00 0.00 C ATOM 726 OD1 ASP A 48 -2.510 -9.291 -0.711 1.00 0.00 O ATOM 727 OD2 ASP A 48 -4.065 -7.800 -0.603 1.00 0.00 O ATOM 0 H ASP A 48 -3.380 -9.368 3.860 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.438 -9.339 1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.842 -10.086 1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.400 -8.453 1.802 1.00 0.00 H new ATOM 732 N ARG A 49 -2.457 -6.406 2.972 1.00 0.00 N ATOM 733 CA ARG A 49 -2.222 -4.940 2.923 1.00 0.00 C ATOM 734 C ARG A 49 -0.761 -4.657 3.164 1.00 0.00 C ATOM 735 O ARG A 49 -0.146 -3.813 2.494 1.00 0.00 O ATOM 736 CB ARG A 49 -3.051 -4.245 4.037 1.00 0.00 C ATOM 737 CG ARG A 49 -4.603 -4.529 3.863 1.00 0.00 C ATOM 738 CD ARG A 49 -5.423 -3.818 4.976 1.00 0.00 C ATOM 739 NE ARG A 49 -6.795 -4.361 5.005 1.00 0.00 N ATOM 740 CZ ARG A 49 -7.672 -3.981 5.943 1.00 0.00 C ATOM 741 NH1 ARG A 49 -7.338 -3.070 6.812 1.00 0.00 N ATOM 742 NH2 ARG A 49 -8.817 -4.555 6.011 1.00 0.00 N ATOM 0 H ARG A 49 -3.075 -6.710 3.724 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.520 -4.562 1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.721 -4.600 5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.871 -3.170 4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.933 -4.182 2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.787 -5.603 3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.943 -3.963 5.944 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.450 -2.744 4.792 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.080 -5.038 4.298 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.410 -2.648 6.777 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.004 -2.779 7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.056 -5.297 5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.489 -4.270 6.723 1.00 0.00 H new ATOM 756 N GLU A 50 -0.214 -5.371 4.177 1.00 0.00 N ATOM 757 CA GLU A 50 1.193 -5.190 4.556 1.00 0.00 C ATOM 758 C GLU A 50 2.104 -5.652 3.406 1.00 0.00 C ATOM 759 O GLU A 50 3.105 -5.000 3.077 1.00 0.00 O ATOM 760 CB GLU A 50 1.554 -6.014 5.861 1.00 0.00 C ATOM 761 CG GLU A 50 2.950 -5.469 6.506 1.00 0.00 C ATOM 762 CD GLU A 50 2.789 -4.037 7.160 1.00 0.00 C ATOM 763 OE1 GLU A 50 1.658 -3.572 7.295 1.00 0.00 O ATOM 764 OE2 GLU A 50 3.808 -3.435 7.479 1.00 0.00 O ATOM 0 H GLU A 50 -0.720 -6.062 4.731 1.00 0.00 H new ATOM 0 HA GLU A 50 1.348 -4.131 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.749 -5.924 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.647 -7.072 5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.299 -6.174 7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.715 -5.428 5.730 1.00 0.00 H new ATOM 771 N ALA A 51 1.752 -6.823 2.805 1.00 0.00 N ATOM 772 CA ALA A 51 2.541 -7.420 1.708 1.00 0.00 C ATOM 773 C ALA A 51 2.672 -6.424 0.548 1.00 0.00 C ATOM 774 O ALA A 51 3.762 -6.171 0.049 1.00 0.00 O ATOM 775 CB ALA A 51 1.823 -8.742 1.217 1.00 0.00 C ATOM 0 H ALA A 51 0.928 -7.365 3.066 1.00 0.00 H new ATOM 0 HA ALA A 51 3.542 -7.661 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.399 -9.189 0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.753 -9.447 2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.822 -8.501 0.860 1.00 0.00 H new ATOM 781 N LEU A 52 1.525 -5.839 0.150 1.00 0.00 N ATOM 782 CA LEU A 52 1.475 -4.847 -0.948 1.00 0.00 C ATOM 783 C LEU A 52 2.258 -3.613 -0.621 1.00 0.00 C ATOM 784 O LEU A 52 2.980 -3.073 -1.459 1.00 0.00 O ATOM 785 CB LEU A 52 -0.027 -4.470 -1.204 1.00 0.00 C ATOM 786 CG LEU A 52 -0.848 -5.718 -1.883 1.00 0.00 C ATOM 787 CD1 LEU A 52 -2.417 -5.458 -1.810 1.00 0.00 C ATOM 788 CD2 LEU A 52 -0.375 -5.981 -3.432 1.00 0.00 C ATOM 0 H LEU A 52 0.618 -6.035 0.572 1.00 0.00 H new ATOM 0 HA LEU A 52 1.923 -5.288 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.500 -4.191 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.079 -3.599 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.616 -6.617 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.946 -6.295 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.721 -5.359 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.659 -4.541 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.940 -6.815 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.559 -5.085 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.689 -6.218 -3.452 1.00 0.00 H new ATOM 800 N PHE A 53 2.091 -3.162 0.621 1.00 0.00 N ATOM 801 CA PHE A 53 2.759 -1.963 1.093 1.00 0.00 C ATOM 802 C PHE A 53 4.299 -2.134 0.992 1.00 0.00 C ATOM 803 O PHE A 53 5.010 -1.262 0.508 1.00 0.00 O ATOM 804 CB PHE A 53 2.344 -1.696 2.571 1.00 0.00 C ATOM 805 CG PHE A 53 2.962 -0.316 3.017 1.00 0.00 C ATOM 806 CD1 PHE A 53 2.260 0.895 2.736 1.00 0.00 C ATOM 807 CD2 PHE A 53 4.249 -0.251 3.652 1.00 0.00 C ATOM 808 CE1 PHE A 53 2.816 2.127 3.086 1.00 0.00 C ATOM 809 CE2 PHE A 53 4.794 1.000 3.992 1.00 0.00 C ATOM 810 CZ PHE A 53 4.078 2.184 3.708 1.00 0.00 C ATOM 0 H PHE A 53 1.496 -3.614 1.316 1.00 0.00 H new ATOM 0 HA PHE A 53 2.465 -1.115 0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.258 -1.673 2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.701 -2.498 3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.296 0.858 2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.795 -1.158 3.867 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.276 3.039 2.879 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.761 1.055 4.471 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.502 3.142 3.970 1.00 0.00 H new ATOM 820 N ASN A 54 4.778 -3.296 1.472 1.00 0.00 N ATOM 821 CA ASN A 54 6.244 -3.614 1.473 1.00 0.00 C ATOM 822 C ASN A 54 6.776 -3.652 0.031 1.00 0.00 C ATOM 823 O ASN A 54 7.860 -3.125 -0.268 1.00 0.00 O ATOM 824 CB ASN A 54 6.463 -5.005 2.179 1.00 0.00 C ATOM 825 CG ASN A 54 6.159 -4.917 3.701 1.00 0.00 C ATOM 826 OD1 ASN A 54 6.140 -3.832 4.295 1.00 0.00 O ATOM 827 ND2 ASN A 54 5.917 -6.000 4.349 1.00 0.00 N ATOM 0 H ASN A 54 4.190 -4.032 1.863 1.00 0.00 H new ATOM 0 HA ASN A 54 6.790 -2.843 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.819 -5.754 1.720 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.491 -5.334 2.029 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.711 -5.962 5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.931 -6.898 3.865 1.00 0.00 H new ATOM 834 N GLU A 55 5.980 -4.268 -0.867 1.00 0.00 N ATOM 835 CA GLU A 55 6.343 -4.383 -2.302 1.00 0.00 C ATOM 836 C GLU A 55 6.283 -3.032 -2.976 1.00 0.00 C ATOM 837 O GLU A 55 7.115 -2.718 -3.832 1.00 0.00 O ATOM 838 CB GLU A 55 5.360 -5.369 -3.020 1.00 0.00 C ATOM 839 CG GLU A 55 5.590 -6.879 -2.515 1.00 0.00 C ATOM 840 CD GLU A 55 4.570 -7.864 -3.136 1.00 0.00 C ATOM 841 OE1 GLU A 55 3.786 -7.445 -3.978 1.00 0.00 O ATOM 842 OE2 GLU A 55 4.606 -9.023 -2.760 1.00 0.00 O ATOM 0 H GLU A 55 5.084 -4.693 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 55 7.361 -4.765 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.331 -5.069 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.508 -5.316 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.601 -7.196 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.511 -6.913 -1.428 1.00 0.00 H new ATOM 849 N PHE A 56 5.260 -2.230 -2.613 1.00 0.00 N ATOM 850 CA PHE A 56 5.062 -0.924 -3.217 1.00 0.00 C ATOM 851 C PHE A 56 6.270 -0.022 -2.951 1.00 0.00 C ATOM 852 O PHE A 56 6.791 0.613 -3.864 1.00 0.00 O ATOM 853 CB PHE A 56 3.767 -0.276 -2.618 1.00 0.00 C ATOM 854 CG PHE A 56 3.569 1.136 -3.277 1.00 0.00 C ATOM 855 CD1 PHE A 56 3.037 1.226 -4.597 1.00 0.00 C ATOM 856 CD2 PHE A 56 3.961 2.346 -2.591 1.00 0.00 C ATOM 857 CE1 PHE A 56 2.888 2.475 -5.215 1.00 0.00 C ATOM 858 CE2 PHE A 56 3.809 3.588 -3.226 1.00 0.00 C ATOM 859 CZ PHE A 56 3.274 3.654 -4.533 1.00 0.00 C ATOM 0 H PHE A 56 4.568 -2.476 -1.905 1.00 0.00 H new ATOM 0 HA PHE A 56 4.952 -1.039 -4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.901 -0.910 -2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.856 -0.180 -1.536 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.748 0.328 -5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.370 2.294 -1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.478 2.538 -6.212 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.101 4.494 -2.716 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.159 4.613 -5.016 1.00 0.00 H new ATOM 869 N VAL A 57 6.700 0.014 -1.680 1.00 0.00 N ATOM 870 CA VAL A 57 7.862 0.846 -1.267 1.00 0.00 C ATOM 871 C VAL A 57 9.137 0.353 -1.948 1.00 0.00 C ATOM 872 O VAL A 57 9.933 1.154 -2.469 1.00 0.00 O ATOM 873 CB VAL A 57 8.030 0.782 0.324 1.00 0.00 C ATOM 874 CG1 VAL A 57 9.441 1.487 0.800 1.00 0.00 C ATOM 875 CG2 VAL A 57 6.771 1.505 1.046 1.00 0.00 C ATOM 0 H VAL A 57 6.271 -0.515 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 57 7.684 1.878 -1.569 1.00 0.00 H new ATOM 0 HB VAL A 57 8.059 -0.266 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.529 1.429 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.281 0.967 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.448 2.532 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.895 1.456 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.722 2.548 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.849 0.998 0.763 1.00 0.00 H new ATOM 885 N ALA A 58 9.333 -0.984 -1.932 1.00 0.00 N ATOM 886 CA ALA A 58 10.539 -1.606 -2.519 1.00 0.00 C ATOM 887 C ALA A 58 10.566 -1.378 -4.039 1.00 0.00 C ATOM 888 O ALA A 58 11.621 -1.092 -4.609 1.00 0.00 O ATOM 889 CB ALA A 58 10.549 -3.145 -2.202 1.00 0.00 C ATOM 0 H ALA A 58 8.676 -1.648 -1.522 1.00 0.00 H new ATOM 0 HA ALA A 58 11.426 -1.146 -2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.439 -3.600 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.555 -3.294 -1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.660 -3.610 -2.627 1.00 0.00 H new ATOM 895 N ALA A 59 9.370 -1.498 -4.679 1.00 0.00 N ATOM 896 CA ALA A 59 9.216 -1.309 -6.139 1.00 0.00 C ATOM 897 C ALA A 59 9.339 0.177 -6.528 1.00 0.00 C ATOM 898 O ALA A 59 9.958 0.518 -7.540 1.00 0.00 O ATOM 899 CB ALA A 59 7.806 -1.854 -6.586 1.00 0.00 C ATOM 0 H ALA A 59 8.499 -1.726 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 59 10.011 -1.858 -6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.687 -1.717 -7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.733 -2.914 -6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.022 -1.308 -6.062 1.00 0.00 H new ATOM 905 N ALA A 60 8.709 1.063 -5.704 1.00 0.00 N ATOM 906 CA ALA A 60 8.707 2.528 -5.967 1.00 0.00 C ATOM 907 C ALA A 60 10.106 3.092 -5.837 1.00 0.00 C ATOM 908 O ALA A 60 10.533 3.947 -6.634 1.00 0.00 O ATOM 909 CB ALA A 60 7.750 3.248 -4.942 1.00 0.00 C ATOM 0 H ALA A 60 8.202 0.790 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 60 8.353 2.701 -6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.750 4.321 -5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.738 2.859 -5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.100 3.063 -3.926 1.00 0.00 H new ATOM 915 N ARG A 61 10.833 2.612 -4.791 1.00 0.00 N ATOM 916 CA ARG A 61 12.192 3.097 -4.541 1.00 0.00 C ATOM 917 C ARG A 61 13.151 2.604 -5.637 1.00 0.00 C ATOM 918 O ARG A 61 14.008 3.363 -6.103 1.00 0.00 O ATOM 919 CB ARG A 61 12.659 2.636 -3.118 1.00 0.00 C ATOM 920 CG ARG A 61 14.139 3.208 -2.764 1.00 0.00 C ATOM 921 CD ARG A 61 14.598 2.738 -1.334 1.00 0.00 C ATOM 922 NE ARG A 61 13.657 3.335 -0.344 1.00 0.00 N ATOM 923 CZ ARG A 61 13.744 4.628 0.079 1.00 0.00 C ATOM 924 NH1 ARG A 61 14.638 5.442 -0.433 1.00 0.00 N ATOM 925 NH2 ARG A 61 12.887 5.074 0.949 1.00 0.00 N ATOM 0 H ARG A 61 10.500 1.909 -4.131 1.00 0.00 H new ATOM 0 HA ARG A 61 12.199 4.187 -4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.945 2.981 -2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.668 1.547 -3.071 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.854 2.863 -3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.132 4.297 -2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 61 14.587 1.650 -1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.620 3.060 -1.134 1.00 0.00 H new ATOM 0 HE ARG A 61 12.913 2.749 0.035 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.277 5.109 -1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.694 6.407 -0.109 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.158 4.458 1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.944 6.040 1.272 1.00 0.00 H new