USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=9 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+ 157:sc= 0.064 (180deg=0.00271) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0398 USER MOD Single : A 3 SER OG : rot -54:sc= 0.952 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+ 154:sc= 0 (180deg=-0.01) USER MOD Single : A 21 THR OG1 : rot 180:sc=1.58e-05 USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0.123 (180deg=0.103) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 173:sc= -1.05 (180deg=-1.11) USER MOD Single : A 30 GLN : amide:sc= -0.126 K(o=-0.13,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -23.532 1.441 -1.929 1.00 10.00 N ATOM 2 CA SER A 1 -23.488 2.914 -2.175 1.00 10.00 C ATOM 3 C SER A 1 -22.735 3.617 -1.037 1.00 10.00 C ATOM 4 O SER A 1 -23.333 4.150 -0.120 1.00 10.00 O ATOM 5 CB SER A 1 -24.953 3.360 -2.215 1.00 10.00 C ATOM 6 OG SER A 1 -25.631 2.659 -3.251 1.00 10.00 O ATOM 0 H1 SER A 1 -24.333 1.026 -2.447 1.00 10.00 H new ATOM 0 H2 SER A 1 -22.646 1.008 -2.257 1.00 10.00 H new ATOM 0 H3 SER A 1 -23.648 1.262 -0.911 1.00 10.00 H new ATOM 0 HA SER A 1 -22.968 3.163 -3.100 1.00 10.00 H new ATOM 0 HB2 SER A 1 -25.431 3.164 -1.255 1.00 10.00 H new ATOM 0 HB3 SER A 1 -25.013 4.435 -2.388 1.00 10.00 H new ATOM 0 HG SER A 1 -26.569 2.941 -3.277 1.00 10.00 H new ATOM 14 N GLY A 2 -21.425 3.619 -1.093 1.00 10.00 N ATOM 15 CA GLY A 2 -20.625 4.285 -0.021 1.00 10.00 C ATOM 16 C GLY A 2 -19.540 5.162 -0.654 1.00 10.00 C ATOM 17 O GLY A 2 -18.396 5.132 -0.240 1.00 10.00 O ATOM 0 H GLY A 2 -20.876 3.187 -1.836 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -21.276 4.893 0.607 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -20.169 3.535 0.625 1.00 10.00 H new ATOM 21 N SER A 3 -19.899 5.945 -1.653 1.00 10.00 N ATOM 22 CA SER A 3 -18.911 6.845 -2.338 1.00 10.00 C ATOM 23 C SER A 3 -17.603 6.092 -2.654 1.00 10.00 C ATOM 24 O SER A 3 -17.612 4.896 -2.889 1.00 10.00 O ATOM 25 CB SER A 3 -18.681 8.008 -1.356 1.00 10.00 C ATOM 26 OG SER A 3 -17.674 7.663 -0.410 1.00 10.00 O ATOM 0 H SER A 3 -20.847 5.997 -2.025 1.00 10.00 H new ATOM 0 HA SER A 3 -19.278 7.204 -3.299 1.00 10.00 H new ATOM 0 HB2 SER A 3 -18.384 8.902 -1.904 1.00 10.00 H new ATOM 0 HB3 SER A 3 -19.610 8.245 -0.838 1.00 10.00 H new ATOM 0 HG SER A 3 -17.914 6.821 0.030 1.00 10.00 H new ATOM 32 N TRP A 4 -16.483 6.779 -2.659 1.00 10.00 N ATOM 33 CA TRP A 4 -15.185 6.097 -2.950 1.00 10.00 C ATOM 34 C TRP A 4 -14.637 5.412 -1.686 1.00 10.00 C ATOM 35 O TRP A 4 -13.648 4.708 -1.745 1.00 10.00 O ATOM 36 CB TRP A 4 -14.238 7.206 -3.417 1.00 10.00 C ATOM 37 CG TRP A 4 -13.500 6.745 -4.633 1.00 10.00 C ATOM 38 CD1 TRP A 4 -13.918 6.921 -5.908 1.00 10.00 C ATOM 39 CD2 TRP A 4 -12.230 6.035 -4.714 1.00 10.00 C ATOM 40 NE1 TRP A 4 -12.986 6.365 -6.765 1.00 10.00 N ATOM 41 CE2 TRP A 4 -11.927 5.807 -6.077 1.00 10.00 C ATOM 42 CE3 TRP A 4 -11.322 5.572 -3.747 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -10.764 5.144 -6.466 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -10.149 4.904 -4.136 1.00 10.00 C ATOM 45 CH2 TRP A 4 -9.871 4.691 -5.492 1.00 10.00 C ATOM 0 H TRP A 4 -16.414 7.780 -2.474 1.00 10.00 H new ATOM 0 HA TRP A 4 -15.298 5.318 -3.704 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -14.802 8.111 -3.641 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -13.534 7.457 -2.624 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -14.831 7.415 -6.207 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -13.071 6.367 -7.781 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -11.527 5.731 -2.699 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -10.555 4.982 -7.513 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -9.457 4.553 -3.385 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -8.967 4.177 -5.784 1.00 10.00 H new ATOM 56 N LEU A 5 -15.274 5.601 -0.547 1.00 10.00 N ATOM 57 CA LEU A 5 -14.788 4.945 0.710 1.00 10.00 C ATOM 58 C LEU A 5 -14.804 3.420 0.543 1.00 10.00 C ATOM 59 O LEU A 5 -13.936 2.722 1.031 1.00 10.00 O ATOM 60 CB LEU A 5 -15.769 5.379 1.804 1.00 10.00 C ATOM 61 CG LEU A 5 -15.096 6.402 2.723 1.00 10.00 C ATOM 62 CD1 LEU A 5 -14.958 7.741 1.993 1.00 10.00 C ATOM 63 CD2 LEU A 5 -15.949 6.595 3.980 1.00 10.00 C ATOM 0 H LEU A 5 -16.107 6.180 -0.438 1.00 10.00 H new ATOM 0 HA LEU A 5 -13.765 5.231 0.955 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -16.662 5.812 1.354 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.091 4.513 2.382 1.00 10.00 H new ATOM 0 HG LEU A 5 -14.107 6.039 3.002 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -14.479 8.466 2.651 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -14.351 7.606 1.098 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -15.946 8.105 1.711 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -15.471 7.323 4.636 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -16.938 6.956 3.697 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -16.046 5.644 4.504 1.00 10.00 H new ATOM 75 N ARG A 6 -15.777 2.901 -0.165 1.00 10.00 N ATOM 76 CA ARG A 6 -15.831 1.426 -0.391 1.00 10.00 C ATOM 77 C ARG A 6 -14.680 1.014 -1.317 1.00 10.00 C ATOM 78 O ARG A 6 -14.142 -0.074 -1.214 1.00 10.00 O ATOM 79 CB ARG A 6 -17.184 1.171 -1.067 1.00 10.00 C ATOM 80 CG ARG A 6 -17.921 0.045 -0.339 1.00 10.00 C ATOM 81 CD ARG A 6 -17.410 -1.310 -0.839 1.00 10.00 C ATOM 82 NE ARG A 6 -17.186 -2.117 0.393 1.00 10.00 N ATOM 83 CZ ARG A 6 -16.163 -2.922 0.471 1.00 10.00 C ATOM 84 NH1 ARG A 6 -14.958 -2.432 0.598 1.00 10.00 N ATOM 85 NH2 ARG A 6 -16.345 -4.217 0.420 1.00 10.00 N ATOM 0 H ARG A 6 -16.533 3.434 -0.594 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.732 0.855 0.532 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.785 2.080 -1.053 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -17.034 0.904 -2.113 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -17.765 0.130 0.736 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -18.994 0.127 -0.512 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.136 -1.787 -1.497 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -16.488 -1.198 -1.410 1.00 10.00 H new ATOM 0 HE ARG A 6 -17.834 -2.040 1.177 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -14.819 -1.422 0.636 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -14.156 -3.059 0.659 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -17.287 -4.596 0.319 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -15.545 -4.847 0.481 1.00 10.00 H new ATOM 99 N ASP A 7 -14.299 1.890 -2.217 1.00 10.00 N ATOM 100 CA ASP A 7 -13.185 1.587 -3.162 1.00 10.00 C ATOM 101 C ASP A 7 -11.821 1.855 -2.504 1.00 10.00 C ATOM 102 O ASP A 7 -10.866 1.141 -2.740 1.00 10.00 O ATOM 103 CB ASP A 7 -13.406 2.539 -4.341 1.00 10.00 C ATOM 104 CG ASP A 7 -12.804 1.932 -5.608 1.00 10.00 C ATOM 105 OD1 ASP A 7 -11.622 2.130 -5.833 1.00 10.00 O ATOM 106 OD2 ASP A 7 -13.535 1.279 -6.332 1.00 10.00 O ATOM 0 H ASP A 7 -14.720 2.812 -2.335 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.181 0.541 -3.467 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -14.472 2.718 -4.482 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -12.945 3.505 -4.133 1.00 10.00 H new ATOM 111 N ILE A 8 -11.722 2.881 -1.689 1.00 10.00 N ATOM 112 CA ILE A 8 -10.414 3.193 -1.028 1.00 10.00 C ATOM 113 C ILE A 8 -10.020 2.084 -0.039 1.00 10.00 C ATOM 114 O ILE A 8 -8.851 1.859 0.197 1.00 10.00 O ATOM 115 CB ILE A 8 -10.617 4.538 -0.305 1.00 10.00 C ATOM 116 CG1 ILE A 8 -9.251 5.179 -0.029 1.00 10.00 C ATOM 117 CG2 ILE A 8 -11.342 4.326 1.028 1.00 10.00 C ATOM 118 CD1 ILE A 8 -8.686 5.774 -1.321 1.00 10.00 C ATOM 0 H ILE A 8 -12.488 3.513 -1.454 1.00 10.00 H new ATOM 0 HA ILE A 8 -9.604 3.254 -1.755 1.00 10.00 H new ATOM 0 HB ILE A 8 -11.218 5.188 -0.941 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -9.351 5.958 0.727 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -8.563 4.433 0.370 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -11.477 5.286 1.525 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -12.316 3.872 0.844 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.749 3.668 1.664 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -7.716 6.228 -1.119 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -8.570 4.985 -2.064 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -9.369 6.533 -1.701 1.00 10.00 H new ATOM 130 N TRP A 9 -10.977 1.389 0.535 1.00 10.00 N ATOM 131 CA TRP A 9 -10.627 0.300 1.498 1.00 10.00 C ATOM 132 C TRP A 9 -9.869 -0.814 0.766 1.00 10.00 C ATOM 133 O TRP A 9 -8.776 -1.186 1.151 1.00 10.00 O ATOM 134 CB TRP A 9 -11.965 -0.211 2.049 1.00 10.00 C ATOM 135 CG TRP A 9 -11.729 -1.319 3.035 1.00 10.00 C ATOM 136 CD1 TRP A 9 -12.555 -2.374 3.221 1.00 10.00 C ATOM 137 CD2 TRP A 9 -10.618 -1.503 3.968 1.00 10.00 C ATOM 138 NE1 TRP A 9 -12.025 -3.192 4.202 1.00 10.00 N ATOM 139 CE2 TRP A 9 -10.834 -2.700 4.693 1.00 10.00 C ATOM 140 CE3 TRP A 9 -9.456 -0.760 4.255 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -9.933 -3.142 5.664 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -8.548 -1.202 5.230 1.00 10.00 C ATOM 143 CH2 TRP A 9 -8.786 -2.390 5.932 1.00 10.00 C ATOM 0 H TRP A 9 -11.975 1.529 0.378 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.981 0.650 2.303 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.504 0.605 2.530 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.591 -0.569 1.231 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -13.479 -2.549 2.689 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -12.462 -4.055 4.524 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -9.262 0.158 3.720 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -10.121 -4.058 6.204 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -7.661 -0.623 5.440 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -8.083 -2.725 6.680 1.00 10.00 H new ATOM 154 N ASP A 10 -10.434 -1.331 -0.300 1.00 10.00 N ATOM 155 CA ASP A 10 -9.735 -2.404 -1.072 1.00 10.00 C ATOM 156 C ASP A 10 -8.437 -1.848 -1.674 1.00 10.00 C ATOM 157 O ASP A 10 -7.423 -2.518 -1.701 1.00 10.00 O ATOM 158 CB ASP A 10 -10.717 -2.813 -2.175 1.00 10.00 C ATOM 159 CG ASP A 10 -10.152 -4.003 -2.956 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.260 -5.117 -2.466 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.625 -3.780 -4.033 1.00 10.00 O ATOM 0 H ASP A 10 -11.345 -1.057 -0.666 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.460 -3.255 -0.449 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.680 -3.077 -1.738 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.892 -1.974 -2.849 1.00 10.00 H new ATOM 166 N TRP A 11 -8.463 -0.623 -2.147 1.00 10.00 N ATOM 167 CA TRP A 11 -7.230 -0.015 -2.737 1.00 10.00 C ATOM 168 C TRP A 11 -6.153 0.153 -1.655 1.00 10.00 C ATOM 169 O TRP A 11 -4.992 -0.140 -1.878 1.00 10.00 O ATOM 170 CB TRP A 11 -7.671 1.346 -3.284 1.00 10.00 C ATOM 171 CG TRP A 11 -6.497 2.046 -3.890 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.986 1.789 -5.115 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.677 3.105 -3.317 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.904 2.623 -5.331 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.674 3.454 -4.253 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.706 3.790 -2.090 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.733 4.448 -3.980 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.761 4.791 -1.812 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.777 5.118 -2.755 1.00 10.00 C ATOM 0 H TRP A 11 -9.285 -0.020 -2.149 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.797 -0.639 -3.519 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.454 1.213 -4.031 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.095 1.952 -2.483 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.361 1.053 -5.811 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.344 2.624 -6.183 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.460 3.545 -1.356 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -2.977 4.697 -4.710 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.793 5.312 -0.866 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.053 5.888 -2.535 1.00 10.00 H new ATOM 190 N ILE A 12 -6.530 0.609 -0.482 1.00 10.00 N ATOM 191 CA ILE A 12 -5.527 0.774 0.616 1.00 10.00 C ATOM 192 C ILE A 12 -4.904 -0.591 0.943 1.00 10.00 C ATOM 193 O ILE A 12 -3.720 -0.692 1.199 1.00 10.00 O ATOM 194 CB ILE A 12 -6.315 1.335 1.813 1.00 10.00 C ATOM 195 CG1 ILE A 12 -6.403 2.860 1.687 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.607 0.979 3.127 1.00 10.00 C ATOM 197 CD1 ILE A 12 -7.391 3.408 2.721 1.00 10.00 C ATOM 0 H ILE A 12 -7.485 0.873 -0.240 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.709 1.442 0.346 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.315 0.900 1.817 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -5.419 3.304 1.839 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -6.725 3.133 0.682 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.174 1.381 3.966 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.539 -0.105 3.221 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.605 1.407 3.128 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -7.451 4.492 2.628 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -8.376 2.974 2.549 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.050 3.148 3.723 1.00 10.00 H new ATOM 209 N CYS A 13 -5.691 -1.641 0.910 1.00 10.00 N ATOM 210 CA CYS A 13 -5.142 -3.003 1.193 1.00 10.00 C ATOM 211 C CYS A 13 -4.150 -3.400 0.089 1.00 10.00 C ATOM 212 O CYS A 13 -3.159 -4.060 0.343 1.00 10.00 O ATOM 213 CB CYS A 13 -6.358 -3.936 1.193 1.00 10.00 C ATOM 214 SG CYS A 13 -5.955 -5.453 2.095 1.00 10.00 S ATOM 0 H CYS A 13 -6.689 -1.612 0.699 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.605 -3.048 2.140 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.210 -3.440 1.657 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.647 -4.175 0.169 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.987 -6.244 2.097 1.00 10.00 H new ATOM 220 N GLU A 14 -4.407 -2.988 -1.131 1.00 10.00 N ATOM 221 CA GLU A 14 -3.480 -3.321 -2.256 1.00 10.00 C ATOM 222 C GLU A 14 -2.188 -2.509 -2.127 1.00 10.00 C ATOM 223 O GLU A 14 -1.097 -3.028 -2.271 1.00 10.00 O ATOM 224 CB GLU A 14 -4.238 -2.925 -3.530 1.00 10.00 C ATOM 225 CG GLU A 14 -4.262 -4.103 -4.509 1.00 10.00 C ATOM 226 CD GLU A 14 -2.922 -4.194 -5.244 1.00 10.00 C ATOM 227 OE1 GLU A 14 -2.608 -3.274 -5.983 1.00 10.00 O ATOM 228 OE2 GLU A 14 -2.232 -5.181 -5.055 1.00 10.00 O ATOM 0 H GLU A 14 -5.222 -2.434 -1.395 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.198 -4.374 -2.263 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.256 -2.628 -3.280 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.759 -2.063 -3.996 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.456 -5.031 -3.971 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -5.073 -3.975 -5.226 1.00 10.00 H new ATOM 235 N VAL A 15 -2.314 -1.238 -1.848 1.00 10.00 N ATOM 236 CA VAL A 15 -1.107 -0.362 -1.698 1.00 10.00 C ATOM 237 C VAL A 15 -0.353 -0.701 -0.401 1.00 10.00 C ATOM 238 O VAL A 15 0.851 -0.550 -0.327 1.00 10.00 O ATOM 239 CB VAL A 15 -1.649 1.075 -1.650 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.484 2.065 -1.549 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.451 1.371 -2.923 1.00 10.00 C ATOM 0 H VAL A 15 -3.207 -0.763 -1.716 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.401 -0.500 -2.517 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.295 1.180 -0.779 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.873 3.083 -1.515 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.086 1.864 -0.642 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.165 1.953 -2.418 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.833 2.391 -2.883 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.805 1.259 -3.794 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.286 0.674 -2.998 1.00 10.00 H new ATOM 251 N LEU A 16 -1.053 -1.152 0.619 1.00 10.00 N ATOM 252 CA LEU A 16 -0.376 -1.500 1.911 1.00 10.00 C ATOM 253 C LEU A 16 0.736 -2.530 1.669 1.00 10.00 C ATOM 254 O LEU A 16 1.837 -2.390 2.167 1.00 10.00 O ATOM 255 CB LEU A 16 -1.477 -2.094 2.799 1.00 10.00 C ATOM 256 CG LEU A 16 -0.921 -2.375 4.199 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.832 -1.738 5.251 1.00 10.00 C ATOM 258 CD2 LEU A 16 -0.860 -3.888 4.431 1.00 10.00 C ATOM 0 H LEU A 16 -2.063 -1.293 0.610 1.00 10.00 H new ATOM 0 HA LEU A 16 0.092 -0.631 2.374 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.317 -1.403 2.864 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.856 -3.015 2.357 1.00 10.00 H new ATOM 0 HG LEU A 16 0.080 -1.952 4.281 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.435 -1.939 6.246 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -1.877 -0.661 5.089 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.834 -2.160 5.168 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.464 -4.088 5.427 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -1.862 -4.310 4.347 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.210 -4.345 3.684 1.00 10.00 H new ATOM 270 N SER A 17 0.457 -3.556 0.898 1.00 10.00 N ATOM 271 CA SER A 17 1.502 -4.590 0.614 1.00 10.00 C ATOM 272 C SER A 17 2.676 -3.949 -0.133 1.00 10.00 C ATOM 273 O SER A 17 3.827 -4.207 0.170 1.00 10.00 O ATOM 274 CB SER A 17 0.813 -5.639 -0.260 1.00 10.00 C ATOM 275 OG SER A 17 0.435 -6.743 0.551 1.00 10.00 O ATOM 0 H SER A 17 -0.447 -3.721 0.455 1.00 10.00 H new ATOM 0 HA SER A 17 1.903 -5.034 1.525 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.065 -5.209 -0.743 1.00 10.00 H new ATOM 0 HB3 SER A 17 1.484 -5.967 -1.053 1.00 10.00 H new ATOM 0 HG SER A 17 -0.009 -7.419 -0.003 1.00 10.00 H new ATOM 281 N ASP A 18 2.394 -3.101 -1.093 1.00 10.00 N ATOM 282 CA ASP A 18 3.498 -2.430 -1.841 1.00 10.00 C ATOM 283 C ASP A 18 4.245 -1.479 -0.905 1.00 10.00 C ATOM 284 O ASP A 18 5.453 -1.450 -0.895 1.00 10.00 O ATOM 285 CB ASP A 18 2.822 -1.650 -2.975 1.00 10.00 C ATOM 286 CG ASP A 18 3.832 -0.685 -3.607 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.660 -1.143 -4.376 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.768 0.494 -3.302 1.00 10.00 O ATOM 0 H ASP A 18 1.451 -2.847 -1.388 1.00 10.00 H new ATOM 0 HA ASP A 18 4.223 -3.144 -2.232 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.442 -2.340 -3.729 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.966 -1.096 -2.589 1.00 10.00 H new ATOM 293 N PHE A 19 3.530 -0.711 -0.116 1.00 10.00 N ATOM 294 CA PHE A 19 4.199 0.239 0.833 1.00 10.00 C ATOM 295 C PHE A 19 5.307 -0.478 1.611 1.00 10.00 C ATOM 296 O PHE A 19 6.382 0.053 1.805 1.00 10.00 O ATOM 297 CB PHE A 19 3.093 0.698 1.787 1.00 10.00 C ATOM 298 CG PHE A 19 3.154 2.198 1.949 1.00 10.00 C ATOM 299 CD1 PHE A 19 2.516 3.030 1.021 1.00 10.00 C ATOM 300 CD2 PHE A 19 3.852 2.758 3.027 1.00 10.00 C ATOM 301 CE1 PHE A 19 2.574 4.420 1.171 1.00 10.00 C ATOM 302 CE2 PHE A 19 3.910 4.148 3.177 1.00 10.00 C ATOM 303 CZ PHE A 19 3.271 4.979 2.250 1.00 10.00 C ATOM 0 H PHE A 19 2.510 -0.701 -0.088 1.00 10.00 H new ATOM 0 HA PHE A 19 4.664 1.076 0.312 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.118 0.403 1.398 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.210 0.212 2.756 1.00 10.00 H new ATOM 0 HD1 PHE A 19 1.979 2.599 0.189 1.00 10.00 H new ATOM 0 HD2 PHE A 19 4.345 2.117 3.742 1.00 10.00 H new ATOM 0 HE1 PHE A 19 2.082 5.062 0.455 1.00 10.00 H new ATOM 0 HE2 PHE A 19 4.448 4.579 4.008 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.315 6.052 2.366 1.00 10.00 H new ATOM 313 N LYS A 20 5.049 -1.686 2.049 1.00 10.00 N ATOM 314 CA LYS A 20 6.083 -2.455 2.809 1.00 10.00 C ATOM 315 C LYS A 20 7.329 -2.686 1.941 1.00 10.00 C ATOM 316 O LYS A 20 8.448 -2.550 2.402 1.00 10.00 O ATOM 317 CB LYS A 20 5.413 -3.788 3.151 1.00 10.00 C ATOM 318 CG LYS A 20 6.315 -4.595 4.089 1.00 10.00 C ATOM 319 CD LYS A 20 5.949 -6.080 4.002 1.00 10.00 C ATOM 320 CE LYS A 20 4.612 -6.327 4.710 1.00 10.00 C ATOM 321 NZ LYS A 20 4.958 -6.517 6.148 1.00 10.00 N ATOM 0 H LYS A 20 4.164 -2.174 1.912 1.00 10.00 H new ATOM 0 HA LYS A 20 6.416 -1.923 3.700 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.447 -3.610 3.624 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.221 -4.354 2.239 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.361 -4.451 3.817 1.00 10.00 H new ATOM 0 HG3 LYS A 20 6.200 -4.241 5.114 1.00 10.00 H new ATOM 0 HD2 LYS A 20 5.880 -6.387 2.958 1.00 10.00 H new ATOM 0 HD3 LYS A 20 6.731 -6.684 4.461 1.00 10.00 H new ATOM 0 HE2 LYS A 20 3.934 -5.484 4.576 1.00 10.00 H new ATOM 0 HE3 LYS A 20 4.110 -7.206 4.307 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 4.143 -6.255 6.739 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 5.203 -7.514 6.317 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 5.770 -5.915 6.392 1.00 10.00 H new ATOM 335 N THR A 21 7.146 -3.030 0.688 1.00 10.00 N ATOM 336 CA THR A 21 8.322 -3.270 -0.209 1.00 10.00 C ATOM 337 C THR A 21 8.819 -1.946 -0.804 1.00 10.00 C ATOM 338 O THR A 21 10.007 -1.722 -0.912 1.00 10.00 O ATOM 339 CB THR A 21 7.820 -4.202 -1.321 1.00 10.00 C ATOM 340 OG1 THR A 21 6.827 -5.084 -0.805 1.00 10.00 O ATOM 341 CG2 THR A 21 8.992 -5.021 -1.867 1.00 10.00 C ATOM 0 H THR A 21 6.234 -3.155 0.248 1.00 10.00 H new ATOM 0 HA THR A 21 9.157 -3.711 0.335 1.00 10.00 H new ATOM 0 HB THR A 21 7.386 -3.602 -2.121 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.510 -5.674 -1.520 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.637 -5.683 -2.657 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.749 -4.349 -2.271 1.00 10.00 H new ATOM 0 HG23 THR A 21 9.426 -5.615 -1.063 1.00 10.00 H new ATOM 349 N TRP A 22 7.918 -1.072 -1.184 1.00 10.00 N ATOM 350 CA TRP A 22 8.330 0.245 -1.768 1.00 10.00 C ATOM 351 C TRP A 22 9.246 0.990 -0.794 1.00 10.00 C ATOM 352 O TRP A 22 10.255 1.544 -1.182 1.00 10.00 O ATOM 353 CB TRP A 22 7.026 1.023 -1.963 1.00 10.00 C ATOM 354 CG TRP A 22 7.164 1.956 -3.124 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.832 1.662 -4.403 1.00 10.00 C ATOM 356 CD2 TRP A 22 7.662 3.325 -3.135 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.095 2.764 -5.197 1.00 10.00 N ATOM 358 CE2 TRP A 22 7.608 3.814 -4.461 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.151 4.183 -2.132 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.025 5.107 -4.782 1.00 10.00 C ATOM 361 CZ3 TRP A 22 8.571 5.484 -2.451 1.00 10.00 C ATOM 362 CH2 TRP A 22 8.508 5.945 -3.774 1.00 10.00 C ATOM 0 H TRP A 22 6.910 -1.214 -1.115 1.00 10.00 H new ATOM 0 HA TRP A 22 8.879 0.124 -2.702 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.201 0.332 -2.136 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.788 1.584 -1.060 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.428 0.721 -4.747 1.00 10.00 H new ATOM 0 HE1 TRP A 22 6.930 2.797 -6.203 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.203 3.838 -1.110 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 7.975 5.457 -5.802 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 8.945 6.133 -1.673 1.00 10.00 H new ATOM 0 HH2 TRP A 22 8.833 6.947 -4.013 1.00 10.00 H new ATOM 373 N LEU A 23 8.894 1.001 0.467 1.00 10.00 N ATOM 374 CA LEU A 23 9.737 1.709 1.483 1.00 10.00 C ATOM 375 C LEU A 23 11.093 1.004 1.643 1.00 10.00 C ATOM 376 O LEU A 23 12.114 1.645 1.806 1.00 10.00 O ATOM 377 CB LEU A 23 8.938 1.646 2.791 1.00 10.00 C ATOM 378 CG LEU A 23 8.122 2.935 2.977 1.00 10.00 C ATOM 379 CD1 LEU A 23 9.064 4.139 3.056 1.00 10.00 C ATOM 380 CD2 LEU A 23 7.158 3.120 1.797 1.00 10.00 C ATOM 0 H LEU A 23 8.058 0.550 0.839 1.00 10.00 H new ATOM 0 HA LEU A 23 9.950 2.737 1.189 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.271 0.784 2.777 1.00 10.00 H new ATOM 0 HB3 LEU A 23 9.616 1.511 3.634 1.00 10.00 H new ATOM 0 HG LEU A 23 7.550 2.860 3.902 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.480 5.050 3.188 1.00 10.00 H new ATOM 0 HD12 LEU A 23 9.741 4.016 3.901 1.00 10.00 H new ATOM 0 HD13 LEU A 23 9.643 4.209 2.135 1.00 10.00 H new ATOM 0 HD21 LEU A 23 6.584 4.036 1.937 1.00 10.00 H new ATOM 0 HD22 LEU A 23 7.727 3.186 0.869 1.00 10.00 H new ATOM 0 HD23 LEU A 23 6.478 2.270 1.746 1.00 10.00 H new ATOM 392 N LYS A 24 11.115 -0.309 1.588 1.00 10.00 N ATOM 393 CA LYS A 24 12.410 -1.045 1.730 1.00 10.00 C ATOM 394 C LYS A 24 13.203 -0.983 0.417 1.00 10.00 C ATOM 395 O LYS A 24 14.416 -0.896 0.422 1.00 10.00 O ATOM 396 CB LYS A 24 12.023 -2.491 2.057 1.00 10.00 C ATOM 397 CG LYS A 24 13.099 -3.121 2.948 1.00 10.00 C ATOM 398 CD LYS A 24 14.070 -3.934 2.089 1.00 10.00 C ATOM 399 CE LYS A 24 15.185 -4.500 2.975 1.00 10.00 C ATOM 400 NZ LYS A 24 15.564 -5.801 2.350 1.00 10.00 N ATOM 0 H LYS A 24 10.294 -0.899 1.451 1.00 10.00 H new ATOM 0 HA LYS A 24 13.043 -0.612 2.505 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.058 -2.514 2.563 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.915 -3.066 1.137 1.00 10.00 H new ATOM 0 HG2 LYS A 24 13.639 -2.343 3.487 1.00 10.00 H new ATOM 0 HG3 LYS A 24 12.635 -3.764 3.696 1.00 10.00 H new ATOM 0 HD2 LYS A 24 13.540 -4.745 1.591 1.00 10.00 H new ATOM 0 HD3 LYS A 24 14.496 -3.304 1.308 1.00 10.00 H new ATOM 0 HE2 LYS A 24 16.037 -3.821 3.017 1.00 10.00 H new ATOM 0 HE3 LYS A 24 14.840 -4.642 3.999 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 16.262 -6.284 2.950 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 14.719 -6.399 2.253 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 15.975 -5.628 1.411 1.00 10.00 H new ATOM 414 N ALA A 25 12.523 -1.023 -0.704 1.00 10.00 N ATOM 415 CA ALA A 25 13.229 -0.961 -2.022 1.00 10.00 C ATOM 416 C ALA A 25 13.785 0.449 -2.278 1.00 10.00 C ATOM 417 O ALA A 25 14.704 0.623 -3.054 1.00 10.00 O ATOM 418 CB ALA A 25 12.162 -1.312 -3.063 1.00 10.00 C ATOM 0 H ALA A 25 11.507 -1.096 -0.762 1.00 10.00 H new ATOM 0 HA ALA A 25 14.079 -1.642 -2.058 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.604 -1.288 -4.059 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.773 -2.310 -2.863 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.349 -0.588 -3.009 1.00 10.00 H new ATOM 424 N LYS A 26 13.234 1.456 -1.637 1.00 10.00 N ATOM 425 CA LYS A 26 13.732 2.852 -1.849 1.00 10.00 C ATOM 426 C LYS A 26 15.183 2.988 -1.365 1.00 10.00 C ATOM 427 O LYS A 26 15.995 3.632 -2.003 1.00 10.00 O ATOM 428 CB LYS A 26 12.801 3.741 -1.018 1.00 10.00 C ATOM 429 CG LYS A 26 13.201 5.209 -1.194 1.00 10.00 C ATOM 430 CD LYS A 26 11.942 6.073 -1.317 1.00 10.00 C ATOM 431 CE LYS A 26 12.306 7.424 -1.943 1.00 10.00 C ATOM 432 NZ LYS A 26 12.163 7.226 -3.416 1.00 10.00 N ATOM 0 H LYS A 26 12.461 1.369 -0.977 1.00 10.00 H new ATOM 0 HA LYS A 26 13.727 3.130 -2.903 1.00 10.00 H new ATOM 0 HB2 LYS A 26 11.767 3.595 -1.331 1.00 10.00 H new ATOM 0 HB3 LYS A 26 12.858 3.462 0.034 1.00 10.00 H new ATOM 0 HG2 LYS A 26 13.799 5.538 -0.344 1.00 10.00 H new ATOM 0 HG3 LYS A 26 13.821 5.323 -2.083 1.00 10.00 H new ATOM 0 HD2 LYS A 26 11.198 5.565 -1.931 1.00 10.00 H new ATOM 0 HD3 LYS A 26 11.495 6.224 -0.334 1.00 10.00 H new ATOM 0 HE2 LYS A 26 11.645 8.214 -1.586 1.00 10.00 H new ATOM 0 HE3 LYS A 26 13.323 7.717 -1.682 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 12.397 8.111 -3.910 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 12.809 6.474 -3.730 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 11.183 6.955 -3.636 1.00 10.00 H new ATOM 446 N LEU A 27 15.512 2.393 -0.245 1.00 10.00 N ATOM 447 CA LEU A 27 16.911 2.491 0.279 1.00 10.00 C ATOM 448 C LEU A 27 17.449 1.098 0.632 1.00 10.00 C ATOM 449 O LEU A 27 16.866 0.378 1.420 1.00 10.00 O ATOM 450 CB LEU A 27 16.823 3.384 1.528 1.00 10.00 C ATOM 451 CG LEU A 27 15.767 2.848 2.505 1.00 10.00 C ATOM 452 CD1 LEU A 27 16.409 2.606 3.874 1.00 10.00 C ATOM 453 CD2 LEU A 27 14.639 3.874 2.649 1.00 10.00 C ATOM 0 H LEU A 27 14.873 1.844 0.329 1.00 10.00 H new ATOM 0 HA LEU A 27 17.595 2.910 -0.459 1.00 10.00 H new ATOM 0 HB2 LEU A 27 17.794 3.425 2.021 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.571 4.403 1.235 1.00 10.00 H new ATOM 0 HG LEU A 27 15.364 1.911 2.122 1.00 10.00 H new ATOM 0 HD11 LEU A 27 15.658 2.226 4.566 1.00 10.00 H new ATOM 0 HD12 LEU A 27 17.213 1.877 3.775 1.00 10.00 H new ATOM 0 HD13 LEU A 27 16.814 3.543 4.257 1.00 10.00 H new ATOM 0 HD21 LEU A 27 13.888 3.495 3.342 1.00 10.00 H new ATOM 0 HD22 LEU A 27 15.046 4.810 3.031 1.00 10.00 H new ATOM 0 HD23 LEU A 27 14.179 4.048 1.676 1.00 10.00 H new ATOM 465 N MET A 28 18.561 0.715 0.050 1.00 10.00 N ATOM 466 CA MET A 28 19.144 -0.633 0.344 1.00 10.00 C ATOM 467 C MET A 28 20.633 -0.685 -0.053 1.00 10.00 C ATOM 468 O MET A 28 21.478 -0.866 0.801 1.00 10.00 O ATOM 469 CB MET A 28 18.320 -1.629 -0.484 1.00 10.00 C ATOM 470 CG MET A 28 17.477 -2.501 0.450 1.00 10.00 C ATOM 471 SD MET A 28 17.121 -4.080 -0.360 1.00 10.00 S ATOM 472 CE MET A 28 15.781 -3.496 -1.428 1.00 10.00 C ATOM 0 H MET A 28 19.090 1.278 -0.616 1.00 10.00 H new ATOM 0 HA MET A 28 19.101 -0.866 1.408 1.00 10.00 H new ATOM 0 HB2 MET A 28 17.674 -1.093 -1.179 1.00 10.00 H new ATOM 0 HB3 MET A 28 18.982 -2.255 -1.083 1.00 10.00 H new ATOM 0 HG2 MET A 28 18.010 -2.672 1.386 1.00 10.00 H new ATOM 0 HG3 MET A 28 16.547 -1.991 0.701 1.00 10.00 H new ATOM 0 HE1 MET A 28 15.490 -4.291 -2.115 1.00 10.00 H new ATOM 0 HE2 MET A 28 14.924 -3.214 -0.816 1.00 10.00 H new ATOM 0 HE3 MET A 28 16.120 -2.631 -1.998 1.00 10.00 H new ATOM 482 N PRO A 29 20.914 -0.526 -1.335 1.00 10.00 N ATOM 483 CA PRO A 29 22.324 -0.560 -1.808 1.00 10.00 C ATOM 484 C PRO A 29 23.094 0.681 -1.330 1.00 10.00 C ATOM 485 O PRO A 29 23.851 0.613 -0.379 1.00 10.00 O ATOM 486 CB PRO A 29 22.195 -0.594 -3.331 1.00 10.00 C ATOM 487 CG PRO A 29 20.856 0.005 -3.624 1.00 10.00 C ATOM 488 CD PRO A 29 19.971 -0.303 -2.445 1.00 10.00 C ATOM 0 HA PRO A 29 22.884 -1.412 -1.421 1.00 10.00 H new ATOM 0 HB2 PRO A 29 22.994 -0.025 -3.807 1.00 10.00 H new ATOM 0 HB3 PRO A 29 22.261 -1.614 -3.709 1.00 10.00 H new ATOM 0 HG2 PRO A 29 20.939 1.081 -3.774 1.00 10.00 H new ATOM 0 HG3 PRO A 29 20.438 -0.413 -4.540 1.00 10.00 H new ATOM 0 HD2 PRO A 29 19.291 0.522 -2.231 1.00 10.00 H new ATOM 0 HD3 PRO A 29 19.356 -1.184 -2.628 1.00 10.00 H new ATOM 496 N GLN A 30 22.907 1.808 -1.982 1.00 10.00 N ATOM 497 CA GLN A 30 23.621 3.064 -1.578 1.00 10.00 C ATOM 498 C GLN A 30 25.146 2.856 -1.606 1.00 10.00 C ATOM 499 O GLN A 30 25.638 1.890 -2.162 1.00 10.00 O ATOM 500 CB GLN A 30 23.130 3.371 -0.154 1.00 10.00 C ATOM 501 CG GLN A 30 21.925 4.317 -0.214 1.00 10.00 C ATOM 502 CD GLN A 30 22.400 5.756 -0.455 1.00 10.00 C ATOM 503 OE1 GLN A 30 23.509 6.114 -0.105 1.00 10.00 O ATOM 504 NE2 GLN A 30 21.601 6.606 -1.042 1.00 10.00 N ATOM 0 H GLN A 30 22.285 1.911 -2.784 1.00 10.00 H new ATOM 0 HA GLN A 30 23.413 3.889 -2.260 1.00 10.00 H new ATOM 0 HB2 GLN A 30 22.853 2.446 0.353 1.00 10.00 H new ATOM 0 HB3 GLN A 30 23.932 3.825 0.427 1.00 10.00 H new ATOM 0 HG2 GLN A 30 21.250 4.009 -1.013 1.00 10.00 H new ATOM 0 HG3 GLN A 30 21.362 4.262 0.718 1.00 10.00 H new ATOM 0 HE21 GLN A 30 20.670 6.311 -1.337 1.00 10.00 H new ATOM 0 HE22 GLN A 30 21.908 7.565 -1.205 1.00 10.00 H new ATOM 513 N LEU A 31 25.894 3.755 -1.015 1.00 10.00 N ATOM 514 CA LEU A 31 27.383 3.612 -1.009 1.00 10.00 C ATOM 515 C LEU A 31 27.877 3.255 0.399 1.00 10.00 C ATOM 516 O LEU A 31 27.454 3.906 1.342 1.00 10.00 O ATOM 517 CB LEU A 31 27.921 4.981 -1.438 1.00 10.00 C ATOM 518 CG LEU A 31 27.814 5.121 -2.959 1.00 10.00 C ATOM 519 CD1 LEU A 31 27.628 6.596 -3.325 1.00 10.00 C ATOM 520 CD2 LEU A 31 29.094 4.594 -3.613 1.00 10.00 C ATOM 521 OXT LEU A 31 28.671 2.335 0.509 1.00 10.00 O ATOM 0 H LEU A 31 25.538 4.582 -0.536 1.00 10.00 H new ATOM 0 HA LEU A 31 27.721 2.818 -1.674 1.00 10.00 H new ATOM 0 HB2 LEU A 31 27.356 5.775 -0.949 1.00 10.00 H new ATOM 0 HB3 LEU A 31 28.959 5.089 -1.125 1.00 10.00 H new ATOM 0 HG LEU A 31 26.959 4.546 -3.315 1.00 10.00 H new ATOM 0 HD11 LEU A 31 27.552 6.695 -4.408 1.00 10.00 H new ATOM 0 HD12 LEU A 31 26.717 6.974 -2.861 1.00 10.00 H new ATOM 0 HD13 LEU A 31 28.483 7.170 -2.967 1.00 10.00 H new ATOM 0 HD21 LEU A 31 29.017 4.694 -4.696 1.00 10.00 H new ATOM 0 HD22 LEU A 31 29.948 5.168 -3.255 1.00 10.00 H new ATOM 0 HD23 LEU A 31 29.229 3.544 -3.354 1.00 10.00 H new TER 533 LEU A 31