USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 266 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 1 SER N :NH3+ -97:sc= 0.078 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0223 USER MOD Single : A 3 SER OG : rot 180:sc= -0.351 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00208 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -26.820 -1.251 -5.089 1.00 10.00 N ATOM 2 CA SER A 1 -26.230 0.123 -5.088 1.00 10.00 C ATOM 3 C SER A 1 -24.788 0.086 -5.605 1.00 10.00 C ATOM 4 O SER A 1 -24.172 -0.962 -5.677 1.00 10.00 O ATOM 5 CB SER A 1 -26.259 0.571 -3.624 1.00 10.00 C ATOM 6 OG SER A 1 -27.607 0.625 -3.177 1.00 10.00 O ATOM 0 H1 SER A 1 -27.381 -1.387 -5.954 1.00 10.00 H new ATOM 0 H2 SER A 1 -26.057 -1.957 -5.057 1.00 10.00 H new ATOM 0 H3 SER A 1 -27.433 -1.366 -4.257 1.00 10.00 H new ATOM 0 HA SER A 1 -26.782 0.804 -5.735 1.00 10.00 H new ATOM 0 HB2 SER A 1 -25.687 -0.123 -3.008 1.00 10.00 H new ATOM 0 HB3 SER A 1 -25.790 1.550 -3.522 1.00 10.00 H new ATOM 0 HG SER A 1 -27.630 0.910 -2.240 1.00 10.00 H new ATOM 14 N GLY A 2 -24.245 1.223 -5.961 1.00 10.00 N ATOM 15 CA GLY A 2 -22.842 1.263 -6.471 1.00 10.00 C ATOM 16 C GLY A 2 -21.861 1.090 -5.304 1.00 10.00 C ATOM 17 O GLY A 2 -22.182 1.375 -4.164 1.00 10.00 O ATOM 0 H GLY A 2 -24.715 2.127 -5.920 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -22.690 0.473 -7.206 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.656 2.210 -6.977 1.00 10.00 H new ATOM 21 N SER A 3 -20.668 0.625 -5.583 1.00 10.00 N ATOM 22 CA SER A 3 -19.658 0.432 -4.495 1.00 10.00 C ATOM 23 C SER A 3 -18.625 1.567 -4.521 1.00 10.00 C ATOM 24 O SER A 3 -17.857 1.696 -5.456 1.00 10.00 O ATOM 25 CB SER A 3 -18.989 -0.910 -4.804 1.00 10.00 C ATOM 26 OG SER A 3 -18.090 -1.243 -3.754 1.00 10.00 O ATOM 0 H SER A 3 -20.349 0.370 -6.518 1.00 10.00 H new ATOM 0 HA SER A 3 -20.114 0.441 -3.505 1.00 10.00 H new ATOM 0 HB2 SER A 3 -19.744 -1.689 -4.912 1.00 10.00 H new ATOM 0 HB3 SER A 3 -18.453 -0.852 -5.751 1.00 10.00 H new ATOM 0 HG SER A 3 -17.662 -2.103 -3.950 1.00 10.00 H new ATOM 32 N TRP A 4 -18.603 2.389 -3.500 1.00 10.00 N ATOM 33 CA TRP A 4 -17.623 3.518 -3.459 1.00 10.00 C ATOM 34 C TRP A 4 -16.698 3.370 -2.245 1.00 10.00 C ATOM 35 O TRP A 4 -15.499 3.224 -2.387 1.00 10.00 O ATOM 36 CB TRP A 4 -18.479 4.785 -3.345 1.00 10.00 C ATOM 37 CG TRP A 4 -18.095 5.751 -4.421 1.00 10.00 C ATOM 38 CD1 TRP A 4 -18.605 5.762 -5.674 1.00 10.00 C ATOM 39 CD2 TRP A 4 -17.133 6.843 -4.361 1.00 10.00 C ATOM 40 NE1 TRP A 4 -18.018 6.793 -6.386 1.00 10.00 N ATOM 41 CE2 TRP A 4 -17.103 7.488 -5.621 1.00 10.00 C ATOM 42 CE3 TRP A 4 -16.291 7.332 -3.346 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -16.268 8.579 -5.864 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -15.450 8.430 -3.588 1.00 10.00 C ATOM 45 CH2 TRP A 4 -15.439 9.052 -4.844 1.00 10.00 C ATOM 0 H TRP A 4 -19.223 2.326 -2.692 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.982 3.544 -4.340 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -19.535 4.531 -3.431 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -18.340 5.243 -2.365 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -19.348 5.078 -6.056 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -18.235 7.013 -7.358 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -16.291 6.860 -2.375 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -16.263 9.054 -6.834 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -14.808 8.798 -2.801 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -14.790 9.896 -5.023 1.00 10.00 H new ATOM 56 N LEU A 5 -17.249 3.400 -1.051 1.00 10.00 N ATOM 57 CA LEU A 5 -16.405 3.254 0.180 1.00 10.00 C ATOM 58 C LEU A 5 -15.636 1.927 0.142 1.00 10.00 C ATOM 59 O LEU A 5 -14.474 1.866 0.502 1.00 10.00 O ATOM 60 CB LEU A 5 -17.390 3.271 1.353 1.00 10.00 C ATOM 61 CG LEU A 5 -17.646 4.716 1.792 1.00 10.00 C ATOM 62 CD1 LEU A 5 -18.943 4.785 2.601 1.00 10.00 C ATOM 63 CD2 LEU A 5 -16.479 5.200 2.658 1.00 10.00 C ATOM 0 H LEU A 5 -18.247 3.519 -0.877 1.00 10.00 H new ATOM 0 HA LEU A 5 -15.664 4.049 0.264 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -18.327 2.798 1.060 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.989 2.694 2.186 1.00 10.00 H new ATOM 0 HG LEU A 5 -17.735 5.351 0.911 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -19.123 5.814 2.912 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -19.774 4.441 1.986 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -18.857 4.149 3.482 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -16.660 6.228 2.971 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -16.390 4.563 3.538 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -15.555 5.154 2.082 1.00 10.00 H new ATOM 75 N ARG A 6 -16.271 0.870 -0.305 1.00 10.00 N ATOM 76 CA ARG A 6 -15.573 -0.450 -0.384 1.00 10.00 C ATOM 77 C ARG A 6 -14.520 -0.412 -1.498 1.00 10.00 C ATOM 78 O ARG A 6 -13.439 -0.950 -1.358 1.00 10.00 O ATOM 79 CB ARG A 6 -16.668 -1.471 -0.709 1.00 10.00 C ATOM 80 CG ARG A 6 -16.292 -2.835 -0.123 1.00 10.00 C ATOM 81 CD ARG A 6 -17.138 -3.112 1.125 1.00 10.00 C ATOM 82 NE ARG A 6 -16.266 -2.748 2.282 1.00 10.00 N ATOM 83 CZ ARG A 6 -16.769 -2.113 3.308 1.00 10.00 C ATOM 84 NH1 ARG A 6 -17.805 -2.603 3.936 1.00 10.00 N ATOM 85 NH2 ARG A 6 -16.234 -0.987 3.707 1.00 10.00 N ATOM 0 H ARG A 6 -17.242 0.865 -0.618 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.056 -0.702 0.542 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.622 -1.139 -0.299 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.795 -1.551 -1.789 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -16.454 -3.617 -0.865 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -15.233 -2.852 0.133 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.052 -2.519 1.120 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -17.438 -4.159 1.173 1.00 10.00 H new ATOM 0 HE ARG A 6 -15.276 -2.995 2.271 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -18.221 -3.481 3.626 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -18.197 -2.107 4.737 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -15.425 -0.605 3.217 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -16.626 -0.491 4.508 1.00 10.00 H new ATOM 99 N ASP A 7 -14.830 0.235 -2.599 1.00 10.00 N ATOM 100 CA ASP A 7 -13.852 0.332 -3.727 1.00 10.00 C ATOM 101 C ASP A 7 -12.560 1.010 -3.246 1.00 10.00 C ATOM 102 O ASP A 7 -11.469 0.597 -3.588 1.00 10.00 O ATOM 103 CB ASP A 7 -14.550 1.191 -4.788 1.00 10.00 C ATOM 104 CG ASP A 7 -13.915 0.933 -6.155 1.00 10.00 C ATOM 105 OD1 ASP A 7 -12.952 1.609 -6.476 1.00 10.00 O ATOM 106 OD2 ASP A 7 -14.403 0.064 -6.858 1.00 10.00 O ATOM 0 H ASP A 7 -15.722 0.701 -2.763 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.572 -0.646 -4.119 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.614 0.955 -4.819 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.465 2.247 -4.530 1.00 10.00 H new ATOM 111 N ILE A 8 -12.682 2.041 -2.444 1.00 10.00 N ATOM 112 CA ILE A 8 -11.467 2.745 -1.925 1.00 10.00 C ATOM 113 C ILE A 8 -10.738 1.852 -0.908 1.00 10.00 C ATOM 114 O ILE A 8 -9.522 1.823 -0.860 1.00 10.00 O ATOM 115 CB ILE A 8 -11.991 4.019 -1.247 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.645 4.928 -2.293 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.831 4.768 -0.581 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.749 5.754 -1.633 1.00 10.00 C ATOM 0 H ILE A 8 -13.572 2.425 -2.126 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.756 2.977 -2.718 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.726 3.743 -0.491 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -11.898 5.587 -2.735 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -13.060 4.328 -3.103 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -11.209 5.671 -0.102 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.366 4.127 0.168 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.092 5.039 -1.335 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -14.214 6.401 -2.377 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.501 5.086 -1.212 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.321 6.365 -0.839 1.00 10.00 H new ATOM 130 N TRP A 9 -11.477 1.122 -0.101 1.00 10.00 N ATOM 131 CA TRP A 9 -10.840 0.224 0.914 1.00 10.00 C ATOM 132 C TRP A 9 -9.853 -0.738 0.237 1.00 10.00 C ATOM 133 O TRP A 9 -8.781 -0.997 0.752 1.00 10.00 O ATOM 134 CB TRP A 9 -11.996 -0.555 1.550 1.00 10.00 C ATOM 135 CG TRP A 9 -11.505 -1.257 2.776 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.583 -2.590 2.994 1.00 10.00 C ATOM 137 CD2 TRP A 9 -10.857 -0.687 3.950 1.00 10.00 C ATOM 138 NE1 TRP A 9 -11.024 -2.874 4.228 1.00 10.00 N ATOM 139 CE2 TRP A 9 -10.563 -1.733 4.855 1.00 10.00 C ATOM 140 CE3 TRP A 9 -10.501 0.623 4.313 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -9.937 -1.488 6.076 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -9.871 0.874 5.542 1.00 10.00 C ATOM 143 CH2 TRP A 9 -9.589 -0.179 6.422 1.00 10.00 C ATOM 0 H TRP A 9 -12.497 1.111 -0.104 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.274 0.788 1.655 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.809 0.124 1.807 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.397 -1.278 0.839 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.011 -3.314 2.316 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -10.960 -3.811 4.626 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -10.714 1.442 3.642 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -9.722 -2.304 6.750 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -9.602 1.885 5.811 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -9.104 0.020 7.366 1.00 10.00 H new ATOM 154 N ASP A 10 -10.203 -1.258 -0.915 1.00 10.00 N ATOM 155 CA ASP A 10 -9.279 -2.192 -1.630 1.00 10.00 C ATOM 156 C ASP A 10 -7.963 -1.475 -1.955 1.00 10.00 C ATOM 157 O ASP A 10 -6.890 -2.008 -1.741 1.00 10.00 O ATOM 158 CB ASP A 10 -10.014 -2.581 -2.916 1.00 10.00 C ATOM 159 CG ASP A 10 -9.242 -3.693 -3.629 1.00 10.00 C ATOM 160 OD1 ASP A 10 -9.347 -4.830 -3.198 1.00 10.00 O ATOM 161 OD2 ASP A 10 -8.559 -3.389 -4.594 1.00 10.00 O ATOM 0 H ASP A 10 -11.087 -1.076 -1.390 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.029 -3.067 -1.031 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.024 -2.917 -2.683 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.110 -1.714 -3.569 1.00 10.00 H new ATOM 166 N TRP A 11 -8.041 -0.267 -2.458 1.00 10.00 N ATOM 167 CA TRP A 11 -6.797 0.495 -2.786 1.00 10.00 C ATOM 168 C TRP A 11 -6.022 0.815 -1.498 1.00 10.00 C ATOM 169 O TRP A 11 -4.807 0.764 -1.474 1.00 10.00 O ATOM 170 CB TRP A 11 -7.278 1.780 -3.468 1.00 10.00 C ATOM 171 CG TRP A 11 -6.112 2.684 -3.705 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.199 2.530 -4.691 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.714 3.869 -2.959 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.265 3.546 -4.596 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.542 4.398 -3.545 1.00 10.00 C ATOM 176 CE3 TRP A 11 -6.253 4.530 -1.840 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.924 5.543 -3.040 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.636 5.682 -1.330 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.473 6.187 -1.929 1.00 10.00 C ATOM 0 H TRP A 11 -8.913 0.224 -2.655 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.123 -0.070 -3.430 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -7.766 1.542 -4.413 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.019 2.280 -2.844 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.199 1.743 -5.431 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -3.469 3.653 -5.225 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -7.148 4.148 -1.371 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.028 5.928 -3.505 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -6.059 6.183 -0.472 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -4.002 7.074 -1.531 1.00 10.00 H new ATOM 190 N ILE A 12 -6.715 1.130 -0.428 1.00 10.00 N ATOM 191 CA ILE A 12 -6.012 1.433 0.861 1.00 10.00 C ATOM 192 C ILE A 12 -5.188 0.210 1.292 1.00 10.00 C ATOM 193 O ILE A 12 -4.092 0.338 1.806 1.00 10.00 O ATOM 194 CB ILE A 12 -7.131 1.736 1.871 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.737 3.109 1.559 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.562 1.746 3.295 1.00 10.00 C ATOM 197 CD1 ILE A 12 -9.129 3.212 2.189 1.00 10.00 C ATOM 0 H ILE A 12 -7.733 1.190 -0.391 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.321 2.272 0.780 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.899 0.966 1.797 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -7.093 3.898 1.946 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.804 3.252 0.480 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.361 1.961 4.005 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.129 0.771 3.521 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.791 2.512 3.373 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.558 4.189 1.966 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.772 2.432 1.781 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -9.050 3.089 3.269 1.00 10.00 H new ATOM 209 N CYS A 13 -5.705 -0.974 1.061 1.00 10.00 N ATOM 210 CA CYS A 13 -4.953 -2.213 1.427 1.00 10.00 C ATOM 211 C CYS A 13 -3.788 -2.419 0.447 1.00 10.00 C ATOM 212 O CYS A 13 -2.730 -2.889 0.821 1.00 10.00 O ATOM 213 CB CYS A 13 -5.974 -3.348 1.306 1.00 10.00 C ATOM 214 SG CYS A 13 -5.235 -4.894 1.891 1.00 10.00 S ATOM 0 H CYS A 13 -6.617 -1.134 0.634 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.525 -2.165 2.428 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.864 -3.114 1.891 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.293 -3.455 0.269 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.104 -5.856 1.789 1.00 10.00 H new ATOM 220 N GLU A 14 -3.975 -2.056 -0.804 1.00 10.00 N ATOM 221 CA GLU A 14 -2.881 -2.212 -1.815 1.00 10.00 C ATOM 222 C GLU A 14 -1.696 -1.316 -1.441 1.00 10.00 C ATOM 223 O GLU A 14 -0.552 -1.733 -1.476 1.00 10.00 O ATOM 224 CB GLU A 14 -3.495 -1.764 -3.147 1.00 10.00 C ATOM 225 CG GLU A 14 -3.289 -2.852 -4.207 1.00 10.00 C ATOM 226 CD GLU A 14 -3.311 -2.221 -5.603 1.00 10.00 C ATOM 227 OE1 GLU A 14 -4.342 -1.680 -5.973 1.00 10.00 O ATOM 228 OE2 GLU A 14 -2.297 -2.290 -6.278 1.00 10.00 O ATOM 0 H GLU A 14 -4.841 -1.658 -1.166 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.508 -3.235 -1.868 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.559 -1.566 -3.019 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.034 -0.832 -3.475 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -2.339 -3.360 -4.041 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.072 -3.606 -4.125 1.00 10.00 H new ATOM 235 N VAL A 15 -1.971 -0.092 -1.069 1.00 10.00 N ATOM 236 CA VAL A 15 -0.874 0.847 -0.670 1.00 10.00 C ATOM 237 C VAL A 15 -0.193 0.333 0.605 1.00 10.00 C ATOM 238 O VAL A 15 1.008 0.441 0.758 1.00 10.00 O ATOM 239 CB VAL A 15 -1.558 2.196 -0.417 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.522 3.218 0.061 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.200 2.698 -1.716 1.00 10.00 C ATOM 0 H VAL A 15 -2.911 0.301 -1.024 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.103 0.933 -1.436 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.326 2.071 0.347 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.011 4.176 0.240 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.064 2.866 0.985 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.247 3.340 -0.702 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.686 3.657 -1.535 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.431 2.819 -2.479 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -2.940 1.975 -2.059 1.00 10.00 H new ATOM 251 N LEU A 16 -0.952 -0.238 1.512 1.00 10.00 N ATOM 252 CA LEU A 16 -0.349 -0.779 2.770 1.00 10.00 C ATOM 253 C LEU A 16 0.668 -1.872 2.419 1.00 10.00 C ATOM 254 O LEU A 16 1.777 -1.886 2.921 1.00 10.00 O ATOM 255 CB LEU A 16 -1.524 -1.362 3.562 1.00 10.00 C ATOM 256 CG LEU A 16 -1.085 -1.655 4.999 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.082 -0.357 5.809 1.00 10.00 C ATOM 258 CD2 LEU A 16 -2.058 -2.650 5.634 1.00 10.00 C ATOM 0 H LEU A 16 -1.963 -0.352 1.434 1.00 10.00 H new ATOM 0 HA LEU A 16 0.178 -0.018 3.345 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.358 -0.660 3.563 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.877 -2.277 3.086 1.00 10.00 H new ATOM 0 HG LEU A 16 -0.081 -2.079 4.993 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.769 -0.567 6.832 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.390 0.353 5.356 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.085 0.069 5.817 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.747 -2.860 6.657 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -3.062 -2.224 5.640 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -2.060 -3.575 5.058 1.00 10.00 H new ATOM 270 N SER A 17 0.301 -2.772 1.537 1.00 10.00 N ATOM 271 CA SER A 17 1.247 -3.852 1.121 1.00 10.00 C ATOM 272 C SER A 17 2.401 -3.231 0.328 1.00 10.00 C ATOM 273 O SER A 17 3.545 -3.625 0.461 1.00 10.00 O ATOM 274 CB SER A 17 0.425 -4.791 0.233 1.00 10.00 C ATOM 275 OG SER A 17 1.199 -5.943 -0.079 1.00 10.00 O ATOM 0 H SER A 17 -0.614 -2.804 1.088 1.00 10.00 H new ATOM 0 HA SER A 17 1.678 -4.385 1.969 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.492 -5.083 0.744 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.130 -4.278 -0.683 1.00 10.00 H new ATOM 0 HG SER A 17 0.674 -6.546 -0.646 1.00 10.00 H new ATOM 281 N ASP A 18 2.102 -2.246 -0.488 1.00 10.00 N ATOM 282 CA ASP A 18 3.169 -1.573 -1.284 1.00 10.00 C ATOM 283 C ASP A 18 4.121 -0.830 -0.347 1.00 10.00 C ATOM 284 O ASP A 18 5.315 -0.874 -0.525 1.00 10.00 O ATOM 285 CB ASP A 18 2.435 -0.587 -2.195 1.00 10.00 C ATOM 286 CG ASP A 18 3.444 0.132 -3.094 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.016 1.114 -2.648 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.627 -0.315 -4.214 1.00 10.00 O ATOM 0 H ASP A 18 1.161 -1.881 -0.634 1.00 10.00 H new ATOM 0 HA ASP A 18 3.766 -2.281 -1.859 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.702 -1.116 -2.804 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.886 0.139 -1.595 1.00 10.00 H new ATOM 293 N PHE A 19 3.594 -0.154 0.650 1.00 10.00 N ATOM 294 CA PHE A 19 4.468 0.593 1.612 1.00 10.00 C ATOM 295 C PHE A 19 5.627 -0.297 2.072 1.00 10.00 C ATOM 296 O PHE A 19 6.774 0.110 2.067 1.00 10.00 O ATOM 297 CB PHE A 19 3.558 0.935 2.796 1.00 10.00 C ATOM 298 CG PHE A 19 3.804 2.361 3.230 1.00 10.00 C ATOM 299 CD1 PHE A 19 5.001 2.701 3.872 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.835 3.343 2.989 1.00 10.00 C ATOM 301 CE1 PHE A 19 5.230 4.022 4.273 1.00 10.00 C ATOM 302 CE2 PHE A 19 3.064 4.664 3.390 1.00 10.00 C ATOM 303 CZ PHE A 19 4.261 5.004 4.032 1.00 10.00 C ATOM 0 H PHE A 19 2.594 -0.088 0.838 1.00 10.00 H new ATOM 0 HA PHE A 19 4.906 1.484 1.163 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.513 0.805 2.514 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.751 0.254 3.625 1.00 10.00 H new ATOM 0 HD1 PHE A 19 5.748 1.943 4.058 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.912 3.081 2.494 1.00 10.00 H new ATOM 0 HE1 PHE A 19 6.153 4.284 4.768 1.00 10.00 H new ATOM 0 HE2 PHE A 19 2.317 5.422 3.204 1.00 10.00 H new ATOM 0 HZ PHE A 19 4.437 6.024 4.341 1.00 10.00 H new ATOM 313 N LYS A 20 5.332 -1.515 2.459 1.00 10.00 N ATOM 314 CA LYS A 20 6.409 -2.448 2.908 1.00 10.00 C ATOM 315 C LYS A 20 7.374 -2.734 1.747 1.00 10.00 C ATOM 316 O LYS A 20 8.579 -2.681 1.906 1.00 10.00 O ATOM 317 CB LYS A 20 5.679 -3.728 3.333 1.00 10.00 C ATOM 318 CG LYS A 20 6.658 -4.678 4.027 1.00 10.00 C ATOM 319 CD LYS A 20 6.702 -6.013 3.277 1.00 10.00 C ATOM 320 CE LYS A 20 6.884 -7.160 4.278 1.00 10.00 C ATOM 321 NZ LYS A 20 5.501 -7.595 4.637 1.00 10.00 N ATOM 0 H LYS A 20 4.389 -1.902 2.483 1.00 10.00 H new ATOM 0 HA LYS A 20 7.004 -2.034 3.722 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.858 -3.482 4.006 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.242 -4.215 2.461 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.653 -4.233 4.056 1.00 10.00 H new ATOM 0 HG3 LYS A 20 6.351 -4.840 5.060 1.00 10.00 H new ATOM 0 HD2 LYS A 20 5.781 -6.154 2.711 1.00 10.00 H new ATOM 0 HD3 LYS A 20 7.521 -6.011 2.558 1.00 10.00 H new ATOM 0 HE2 LYS A 20 7.452 -7.980 3.838 1.00 10.00 H new ATOM 0 HE3 LYS A 20 7.433 -6.829 5.159 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 5.550 -8.378 5.319 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 4.985 -6.798 5.061 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 5.004 -7.912 3.781 1.00 10.00 H new ATOM 335 N THR A 21 6.848 -3.029 0.582 1.00 10.00 N ATOM 336 CA THR A 21 7.727 -3.313 -0.596 1.00 10.00 C ATOM 337 C THR A 21 8.446 -2.032 -1.040 1.00 10.00 C ATOM 338 O THR A 21 9.586 -2.072 -1.456 1.00 10.00 O ATOM 339 CB THR A 21 6.779 -3.817 -1.694 1.00 10.00 C ATOM 340 OG1 THR A 21 5.907 -4.801 -1.151 1.00 10.00 O ATOM 341 CG2 THR A 21 7.590 -4.431 -2.837 1.00 10.00 C ATOM 0 H THR A 21 5.847 -3.085 0.396 1.00 10.00 H new ATOM 0 HA THR A 21 8.501 -4.045 -0.367 1.00 10.00 H new ATOM 0 HB THR A 21 6.194 -2.980 -2.077 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.300 -5.122 -1.850 1.00 10.00 H new ATOM 0 HG21 THR A 21 6.913 -4.787 -3.613 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.257 -3.678 -3.255 1.00 10.00 H new ATOM 0 HG23 THR A 21 8.178 -5.266 -2.458 1.00 10.00 H new ATOM 349 N TRP A 22 7.789 -0.900 -0.939 1.00 10.00 N ATOM 350 CA TRP A 22 8.431 0.394 -1.334 1.00 10.00 C ATOM 351 C TRP A 22 9.722 0.585 -0.540 1.00 10.00 C ATOM 352 O TRP A 22 10.759 0.905 -1.088 1.00 10.00 O ATOM 353 CB TRP A 22 7.413 1.472 -0.954 1.00 10.00 C ATOM 354 CG TRP A 22 7.758 2.757 -1.637 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.357 3.111 -2.879 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.566 3.861 -1.136 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.868 4.363 -3.173 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.619 4.867 -2.130 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.251 4.087 0.072 1.00 10.00 C ATOM 360 CZ2 TRP A 22 9.326 6.053 -1.934 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.963 5.280 0.274 1.00 10.00 C ATOM 362 CH2 TRP A 22 10.001 6.261 -0.728 1.00 10.00 C ATOM 0 H TRP A 22 6.831 -0.817 -0.598 1.00 10.00 H new ATOM 0 HA TRP A 22 8.686 0.430 -2.393 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.410 1.155 -1.240 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.406 1.614 0.127 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.739 2.514 -3.534 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.709 4.854 -4.053 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.229 3.338 0.849 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 9.352 6.805 -2.708 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 10.484 5.443 1.206 1.00 10.00 H new ATOM 0 HH2 TRP A 22 10.551 7.176 -0.568 1.00 10.00 H new ATOM 373 N LEU A 23 9.657 0.377 0.751 1.00 10.00 N ATOM 374 CA LEU A 23 10.875 0.527 1.608 1.00 10.00 C ATOM 375 C LEU A 23 11.938 -0.499 1.194 1.00 10.00 C ATOM 376 O LEU A 23 13.103 -0.176 1.067 1.00 10.00 O ATOM 377 CB LEU A 23 10.396 0.258 3.041 1.00 10.00 C ATOM 378 CG LEU A 23 10.263 1.583 3.796 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.916 2.232 3.465 1.00 10.00 C ATOM 380 CD2 LEU A 23 10.343 1.320 5.303 1.00 10.00 C ATOM 0 H LEU A 23 8.810 0.109 1.251 1.00 10.00 H new ATOM 0 HA LEU A 23 11.328 1.514 1.513 1.00 10.00 H new ATOM 0 HB2 LEU A 23 9.437 -0.260 3.023 1.00 10.00 H new ATOM 0 HB3 LEU A 23 11.102 -0.395 3.554 1.00 10.00 H new ATOM 0 HG LEU A 23 11.070 2.252 3.497 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.824 3.175 4.004 1.00 10.00 H new ATOM 0 HD12 LEU A 23 8.856 2.419 2.393 1.00 10.00 H new ATOM 0 HD13 LEU A 23 8.108 1.564 3.762 1.00 10.00 H new ATOM 0 HD21 LEU A 23 10.248 2.262 5.842 1.00 10.00 H new ATOM 0 HD22 LEU A 23 9.536 0.650 5.599 1.00 10.00 H new ATOM 0 HD23 LEU A 23 11.302 0.860 5.542 1.00 10.00 H new ATOM 392 N LYS A 24 11.540 -1.732 0.969 1.00 10.00 N ATOM 393 CA LYS A 24 12.525 -2.777 0.550 1.00 10.00 C ATOM 394 C LYS A 24 13.073 -2.452 -0.846 1.00 10.00 C ATOM 395 O LYS A 24 14.253 -2.588 -1.104 1.00 10.00 O ATOM 396 CB LYS A 24 11.737 -4.091 0.527 1.00 10.00 C ATOM 397 CG LYS A 24 12.700 -5.270 0.680 1.00 10.00 C ATOM 398 CD LYS A 24 12.012 -6.557 0.222 1.00 10.00 C ATOM 399 CE LYS A 24 13.070 -7.614 -0.117 1.00 10.00 C ATOM 400 NZ LYS A 24 13.093 -7.681 -1.609 1.00 10.00 N ATOM 0 H LYS A 24 10.577 -2.056 1.058 1.00 10.00 H new ATOM 0 HA LYS A 24 13.379 -2.832 1.225 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.003 -4.101 1.333 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.184 -4.179 -0.408 1.00 10.00 H new ATOM 0 HG2 LYS A 24 13.600 -5.097 0.090 1.00 10.00 H new ATOM 0 HG3 LYS A 24 13.014 -5.364 1.720 1.00 10.00 H new ATOM 0 HD2 LYS A 24 11.352 -6.927 1.006 1.00 10.00 H new ATOM 0 HD3 LYS A 24 11.390 -6.358 -0.651 1.00 10.00 H new ATOM 0 HE2 LYS A 24 14.046 -7.335 0.280 1.00 10.00 H new ATOM 0 HE3 LYS A 24 12.814 -8.581 0.317 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 13.795 -8.385 -1.914 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 12.153 -7.956 -1.959 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 13.347 -6.749 -1.994 1.00 10.00 H new ATOM 414 N ALA A 25 12.222 -2.015 -1.741 1.00 10.00 N ATOM 415 CA ALA A 25 12.684 -1.666 -3.119 1.00 10.00 C ATOM 416 C ALA A 25 13.576 -0.416 -3.083 1.00 10.00 C ATOM 417 O ALA A 25 14.458 -0.251 -3.903 1.00 10.00 O ATOM 418 CB ALA A 25 11.403 -1.388 -3.910 1.00 10.00 C ATOM 0 H ALA A 25 11.224 -1.885 -1.575 1.00 10.00 H new ATOM 0 HA ALA A 25 13.276 -2.464 -3.568 1.00 10.00 H new ATOM 0 HB1 ALA A 25 11.659 -1.124 -4.936 1.00 10.00 H new ATOM 0 HB2 ALA A 25 10.775 -2.279 -3.911 1.00 10.00 H new ATOM 0 HB3 ALA A 25 10.861 -0.563 -3.447 1.00 10.00 H new ATOM 424 N LYS A 26 13.352 0.464 -2.134 1.00 10.00 N ATOM 425 CA LYS A 26 14.186 1.703 -2.038 1.00 10.00 C ATOM 426 C LYS A 26 15.580 1.377 -1.481 1.00 10.00 C ATOM 427 O LYS A 26 16.569 1.929 -1.923 1.00 10.00 O ATOM 428 CB LYS A 26 13.429 2.628 -1.079 1.00 10.00 C ATOM 429 CG LYS A 26 12.446 3.498 -1.868 1.00 10.00 C ATOM 430 CD LYS A 26 12.977 4.933 -1.951 1.00 10.00 C ATOM 431 CE LYS A 26 13.934 5.063 -3.141 1.00 10.00 C ATOM 432 NZ LYS A 26 15.274 5.333 -2.540 1.00 10.00 N ATOM 0 H LYS A 26 12.627 0.376 -1.422 1.00 10.00 H new ATOM 0 HA LYS A 26 14.338 2.164 -3.014 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.892 2.037 -0.337 1.00 10.00 H new ATOM 0 HB3 LYS A 26 14.133 3.259 -0.536 1.00 10.00 H new ATOM 0 HG2 LYS A 26 12.310 3.092 -2.870 1.00 10.00 H new ATOM 0 HG3 LYS A 26 11.469 3.489 -1.385 1.00 10.00 H new ATOM 0 HD2 LYS A 26 12.148 5.632 -2.061 1.00 10.00 H new ATOM 0 HD3 LYS A 26 13.493 5.194 -1.027 1.00 10.00 H new ATOM 0 HE2 LYS A 26 13.947 4.151 -3.737 1.00 10.00 H new ATOM 0 HE3 LYS A 26 13.630 5.873 -3.804 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 15.980 5.434 -3.297 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 15.235 6.211 -1.984 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 15.542 4.542 -1.920 1.00 10.00 H new ATOM 446 N LEU A 27 15.666 0.491 -0.516 1.00 10.00 N ATOM 447 CA LEU A 27 17.000 0.139 0.065 1.00 10.00 C ATOM 448 C LEU A 27 16.973 -1.273 0.665 1.00 10.00 C ATOM 449 O LEU A 27 16.250 -1.543 1.606 1.00 10.00 O ATOM 450 CB LEU A 27 17.246 1.187 1.156 1.00 10.00 C ATOM 451 CG LEU A 27 18.672 1.046 1.700 1.00 10.00 C ATOM 452 CD1 LEU A 27 19.585 2.066 1.016 1.00 10.00 C ATOM 453 CD2 LEU A 27 18.670 1.299 3.210 1.00 10.00 C ATOM 0 H LEU A 27 14.872 -0.002 -0.107 1.00 10.00 H new ATOM 0 HA LEU A 27 17.788 0.140 -0.688 1.00 10.00 H new ATOM 0 HB2 LEU A 27 17.099 2.188 0.751 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.525 1.061 1.964 1.00 10.00 H new ATOM 0 HG LEU A 27 19.037 0.039 1.499 1.00 10.00 H new ATOM 0 HD11 LEU A 27 20.599 1.965 1.404 1.00 10.00 H new ATOM 0 HD12 LEU A 27 19.588 1.888 -0.059 1.00 10.00 H new ATOM 0 HD13 LEU A 27 19.219 3.073 1.216 1.00 10.00 H new ATOM 0 HD21 LEU A 27 19.684 1.199 3.597 1.00 10.00 H new ATOM 0 HD22 LEU A 27 18.303 2.306 3.410 1.00 10.00 H new ATOM 0 HD23 LEU A 27 18.021 0.573 3.700 1.00 10.00 H new ATOM 465 N MET A 28 17.769 -2.166 0.125 1.00 10.00 N ATOM 466 CA MET A 28 17.822 -3.574 0.649 1.00 10.00 C ATOM 467 C MET A 28 18.858 -4.406 -0.139 1.00 10.00 C ATOM 468 O MET A 28 19.770 -4.951 0.453 1.00 10.00 O ATOM 469 CB MET A 28 16.402 -4.144 0.476 1.00 10.00 C ATOM 470 CG MET A 28 16.413 -5.663 0.692 1.00 10.00 C ATOM 471 SD MET A 28 15.699 -6.051 2.310 1.00 10.00 S ATOM 472 CE MET A 28 16.287 -7.761 2.416 1.00 10.00 C ATOM 0 H MET A 28 18.390 -1.980 -0.663 1.00 10.00 H new ATOM 0 HA MET A 28 18.131 -3.604 1.694 1.00 10.00 H new ATOM 0 HB2 MET A 28 15.724 -3.673 1.187 1.00 10.00 H new ATOM 0 HB3 MET A 28 16.028 -3.914 -0.522 1.00 10.00 H new ATOM 0 HG2 MET A 28 15.844 -6.157 -0.096 1.00 10.00 H new ATOM 0 HG3 MET A 28 17.433 -6.042 0.633 1.00 10.00 H new ATOM 0 HE1 MET A 28 15.954 -8.203 3.355 1.00 10.00 H new ATOM 0 HE2 MET A 28 15.885 -8.336 1.582 1.00 10.00 H new ATOM 0 HE3 MET A 28 17.376 -7.774 2.375 1.00 10.00 H new ATOM 482 N PRO A 29 18.689 -4.487 -1.448 1.00 10.00 N ATOM 483 CA PRO A 29 19.638 -5.273 -2.286 1.00 10.00 C ATOM 484 C PRO A 29 20.990 -4.556 -2.420 1.00 10.00 C ATOM 485 O PRO A 29 21.220 -3.522 -1.820 1.00 10.00 O ATOM 486 CB PRO A 29 18.939 -5.357 -3.641 1.00 10.00 C ATOM 487 CG PRO A 29 18.027 -4.174 -3.682 1.00 10.00 C ATOM 488 CD PRO A 29 17.624 -3.877 -2.262 1.00 10.00 C ATOM 0 HA PRO A 29 19.861 -6.250 -1.857 1.00 10.00 H new ATOM 0 HB2 PRO A 29 19.659 -5.328 -4.459 1.00 10.00 H new ATOM 0 HB3 PRO A 29 18.381 -6.288 -3.740 1.00 10.00 H new ATOM 0 HG2 PRO A 29 18.529 -3.315 -4.127 1.00 10.00 H new ATOM 0 HG3 PRO A 29 17.151 -4.384 -4.295 1.00 10.00 H new ATOM 0 HD2 PRO A 29 17.553 -2.804 -2.085 1.00 10.00 H new ATOM 0 HD3 PRO A 29 16.649 -4.304 -2.027 1.00 10.00 H new ATOM 496 N GLN A 30 21.879 -5.102 -3.211 1.00 10.00 N ATOM 497 CA GLN A 30 23.219 -4.464 -3.398 1.00 10.00 C ATOM 498 C GLN A 30 23.163 -3.456 -4.554 1.00 10.00 C ATOM 499 O GLN A 30 23.357 -3.806 -5.704 1.00 10.00 O ATOM 500 CB GLN A 30 24.172 -5.617 -3.729 1.00 10.00 C ATOM 501 CG GLN A 30 24.361 -6.499 -2.490 1.00 10.00 C ATOM 502 CD GLN A 30 25.176 -7.738 -2.867 1.00 10.00 C ATOM 503 OE1 GLN A 30 26.351 -7.816 -2.576 1.00 10.00 O ATOM 504 NE2 GLN A 30 24.596 -8.717 -3.507 1.00 10.00 N ATOM 0 H GLN A 30 21.735 -5.964 -3.737 1.00 10.00 H new ATOM 0 HA GLN A 30 23.544 -3.917 -2.513 1.00 10.00 H new ATOM 0 HB2 GLN A 30 23.771 -6.209 -4.552 1.00 10.00 H new ATOM 0 HB3 GLN A 30 25.134 -5.224 -4.058 1.00 10.00 H new ATOM 0 HG2 GLN A 30 24.871 -5.939 -1.706 1.00 10.00 H new ATOM 0 HG3 GLN A 30 23.391 -6.796 -2.090 1.00 10.00 H new ATOM 0 HE21 GLN A 30 23.608 -8.652 -3.752 1.00 10.00 H new ATOM 0 HE22 GLN A 30 25.131 -9.547 -3.762 1.00 10.00 H new ATOM 513 N LEU A 31 22.892 -2.211 -4.253 1.00 10.00 N ATOM 514 CA LEU A 31 22.815 -1.172 -5.325 1.00 10.00 C ATOM 515 C LEU A 31 23.631 0.066 -4.927 1.00 10.00 C ATOM 516 O LEU A 31 23.437 0.558 -3.826 1.00 10.00 O ATOM 517 CB LEU A 31 21.324 -0.830 -5.434 1.00 10.00 C ATOM 518 CG LEU A 31 21.106 0.184 -6.560 1.00 10.00 C ATOM 519 CD1 LEU A 31 19.962 -0.287 -7.461 1.00 10.00 C ATOM 520 CD2 LEU A 31 20.750 1.546 -5.957 1.00 10.00 C ATOM 521 OXT LEU A 31 24.436 0.502 -5.734 1.00 10.00 O ATOM 0 H LEU A 31 22.720 -1.868 -3.308 1.00 10.00 H new ATOM 0 HA LEU A 31 23.223 -1.522 -6.273 1.00 10.00 H new ATOM 0 HB2 LEU A 31 20.747 -1.734 -5.630 1.00 10.00 H new ATOM 0 HB3 LEU A 31 20.965 -0.421 -4.489 1.00 10.00 H new ATOM 0 HG LEU A 31 22.019 0.272 -7.149 1.00 10.00 H new ATOM 0 HD11 LEU A 31 19.808 0.436 -8.262 1.00 10.00 H new ATOM 0 HD12 LEU A 31 20.213 -1.257 -7.891 1.00 10.00 H new ATOM 0 HD13 LEU A 31 19.049 -0.376 -6.873 1.00 10.00 H new ATOM 0 HD21 LEU A 31 20.595 2.269 -6.758 1.00 10.00 H new ATOM 0 HD22 LEU A 31 19.838 1.456 -5.367 1.00 10.00 H new ATOM 0 HD23 LEU A 31 21.564 1.884 -5.316 1.00 10.00 H new TER 533 LEU A 31