USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 288 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 THR OG1 : rot -95:sc= 0.975 USER MOD Set 1.2: A 12 HIS : no HD1:sc= 1.07 K(o=2,f=-8!) USER MOD Single : A 1 SER N :NH3+ -156:sc= 0.256 (180deg=0.0516) USER MOD Single : A 1 SER OG : rot 36:sc= 0.243 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -4.06! C(o=-4.1!,f=-4.8!) USER MOD Single : A 15 GLN : amide:sc= -0.0947 K(o=-0.095,f=-1.1) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.0768 K(o=-0.077,f=-3.2!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 93:sc= 1.15 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -19.277 1.636 15.752 1.00 0.00 N ATOM 2 CA SER A 1 -19.086 1.005 14.410 1.00 0.00 C ATOM 3 C SER A 1 -18.057 -0.129 14.500 1.00 0.00 C ATOM 4 O SER A 1 -16.952 0.059 14.974 1.00 0.00 O ATOM 5 CB SER A 1 -18.575 2.127 13.500 1.00 0.00 C ATOM 6 OG SER A 1 -17.560 2.864 14.174 1.00 0.00 O ATOM 0 H1 SER A 1 -20.212 2.090 15.792 1.00 0.00 H new ATOM 0 H2 SER A 1 -19.214 0.907 16.491 1.00 0.00 H new ATOM 0 H3 SER A 1 -18.538 2.351 15.908 1.00 0.00 H new ATOM 0 HA SER A 1 -20.009 0.568 14.028 1.00 0.00 H new ATOM 0 HB2 SER A 1 -18.180 1.707 12.575 1.00 0.00 H new ATOM 0 HB3 SER A 1 -19.397 2.788 13.225 1.00 0.00 H new ATOM 0 HG SER A 1 -17.030 2.256 14.731 1.00 0.00 H new ATOM 11 N ASP A 2 -18.418 -1.304 14.050 1.00 0.00 N ATOM 12 CA ASP A 2 -17.469 -2.463 14.107 1.00 0.00 C ATOM 13 C ASP A 2 -17.098 -2.954 12.695 1.00 0.00 C ATOM 14 O ASP A 2 -16.316 -3.874 12.545 1.00 0.00 O ATOM 15 CB ASP A 2 -18.215 -3.553 14.890 1.00 0.00 C ATOM 16 CG ASP A 2 -19.494 -3.957 14.148 1.00 0.00 C ATOM 17 OD1 ASP A 2 -20.495 -3.278 14.317 1.00 0.00 O ATOM 18 OD2 ASP A 2 -19.450 -4.939 13.427 1.00 0.00 O ATOM 0 H ASP A 2 -19.330 -1.513 13.644 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.528 -2.189 14.584 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -17.571 -4.423 15.020 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -18.464 -3.189 15.887 1.00 0.00 H new ATOM 23 N LEU A 3 -17.644 -2.341 11.666 1.00 0.00 N ATOM 24 CA LEU A 3 -17.325 -2.753 10.256 1.00 0.00 C ATOM 25 C LEU A 3 -17.491 -4.273 10.065 1.00 0.00 C ATOM 26 O LEU A 3 -16.523 -4.991 9.887 1.00 0.00 O ATOM 27 CB LEU A 3 -15.870 -2.335 10.045 1.00 0.00 C ATOM 28 CG LEU A 3 -15.821 -0.977 9.337 1.00 0.00 C ATOM 29 CD1 LEU A 3 -14.767 -0.091 10.004 1.00 0.00 C ATOM 30 CD2 LEU A 3 -15.457 -1.182 7.865 1.00 0.00 C ATOM 0 H LEU A 3 -18.303 -1.566 11.744 1.00 0.00 H new ATOM 0 HA LEU A 3 -17.998 -2.286 9.537 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.356 -2.275 11.004 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -15.348 -3.085 9.450 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.797 -0.496 9.407 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.732 0.875 9.500 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.026 0.056 11.053 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.791 -0.572 9.935 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -15.422 -0.216 7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.482 -1.663 7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.208 -1.813 7.389 1.00 0.00 H new ATOM 42 N PRO A 4 -18.726 -4.709 10.106 1.00 0.00 N ATOM 43 CA PRO A 4 -19.046 -6.144 9.937 1.00 0.00 C ATOM 44 C PRO A 4 -19.196 -6.499 8.447 1.00 0.00 C ATOM 45 O PRO A 4 -20.188 -7.071 8.034 1.00 0.00 O ATOM 46 CB PRO A 4 -20.375 -6.286 10.675 1.00 0.00 C ATOM 47 CG PRO A 4 -21.002 -4.918 10.658 1.00 0.00 C ATOM 48 CD PRO A 4 -19.930 -3.908 10.316 1.00 0.00 C ATOM 0 HA PRO A 4 -18.272 -6.809 10.319 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -21.018 -7.017 10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -20.220 -6.632 11.697 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.808 -4.879 9.925 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -21.442 -4.690 11.629 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -20.190 -3.341 9.422 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -19.792 -3.188 11.122 1.00 0.00 H new ATOM 56 N ALA A 5 -18.212 -6.160 7.640 1.00 0.00 N ATOM 57 CA ALA A 5 -18.273 -6.463 6.170 1.00 0.00 C ATOM 58 C ALA A 5 -19.497 -5.799 5.510 1.00 0.00 C ATOM 59 O ALA A 5 -19.914 -6.189 4.436 1.00 0.00 O ATOM 60 CB ALA A 5 -18.370 -7.990 6.074 1.00 0.00 C ATOM 0 H ALA A 5 -17.362 -5.682 7.941 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.399 -6.074 5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.418 -8.286 5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -17.493 -8.440 6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.268 -8.331 6.589 1.00 0.00 H new ATOM 66 N LEU A 6 -20.067 -4.795 6.136 1.00 0.00 N ATOM 67 CA LEU A 6 -21.253 -4.103 5.541 1.00 0.00 C ATOM 68 C LEU A 6 -20.952 -2.612 5.310 1.00 0.00 C ATOM 69 O LEU A 6 -21.838 -1.833 5.012 1.00 0.00 O ATOM 70 CB LEU A 6 -22.370 -4.271 6.576 1.00 0.00 C ATOM 71 CG LEU A 6 -23.016 -5.651 6.418 1.00 0.00 C ATOM 72 CD1 LEU A 6 -23.337 -6.227 7.799 1.00 0.00 C ATOM 73 CD2 LEU A 6 -24.309 -5.521 5.608 1.00 0.00 C ATOM 0 H LEU A 6 -19.760 -4.425 7.036 1.00 0.00 H new ATOM 0 HA LEU A 6 -21.525 -4.520 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -21.966 -4.161 7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -23.120 -3.491 6.446 1.00 0.00 H new ATOM 0 HG LEU A 6 -22.326 -6.316 5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -23.797 -7.209 7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -22.417 -6.321 8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -24.026 -5.562 8.320 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -24.768 -6.503 5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -24.998 -4.855 6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -24.082 -5.112 4.623 1.00 0.00 H new ATOM 85 N SER A 7 -19.707 -2.210 5.443 1.00 0.00 N ATOM 86 CA SER A 7 -19.343 -0.775 5.234 1.00 0.00 C ATOM 87 C SER A 7 -17.839 -0.654 4.950 1.00 0.00 C ATOM 88 O SER A 7 -17.132 0.094 5.600 1.00 0.00 O ATOM 89 CB SER A 7 -19.708 -0.078 6.549 1.00 0.00 C ATOM 90 OG SER A 7 -18.918 -0.613 7.608 1.00 0.00 O ATOM 0 H SER A 7 -18.927 -2.819 5.688 1.00 0.00 H new ATOM 0 HA SER A 7 -19.863 -0.330 4.385 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.540 0.995 6.462 1.00 0.00 H new ATOM 0 HB3 SER A 7 -20.767 -0.218 6.765 1.00 0.00 H new ATOM 0 HG SER A 7 -19.151 -0.165 8.448 1.00 0.00 H new ATOM 96 N THR A 8 -17.342 -1.393 3.989 1.00 0.00 N ATOM 97 CA THR A 8 -15.884 -1.327 3.672 1.00 0.00 C ATOM 98 C THR A 8 -15.656 -1.010 2.184 1.00 0.00 C ATOM 99 O THR A 8 -14.604 -1.289 1.639 1.00 0.00 O ATOM 100 CB THR A 8 -15.340 -2.717 4.039 1.00 0.00 C ATOM 101 OG1 THR A 8 -13.924 -2.655 4.139 1.00 0.00 O ATOM 102 CG2 THR A 8 -15.735 -3.743 2.971 1.00 0.00 C ATOM 0 H THR A 8 -17.883 -2.037 3.412 1.00 0.00 H new ATOM 0 HA THR A 8 -15.378 -0.534 4.223 1.00 0.00 H new ATOM 0 HB THR A 8 -15.765 -3.025 4.994 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.524 -2.929 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.343 -4.722 3.245 1.00 0.00 H new ATOM 0 HG22 THR A 8 -16.821 -3.794 2.900 1.00 0.00 H new ATOM 0 HG23 THR A 8 -15.322 -3.443 2.008 1.00 0.00 H new ATOM 110 N GLY A 9 -16.626 -0.415 1.526 1.00 0.00 N ATOM 111 CA GLY A 9 -16.456 -0.070 0.080 1.00 0.00 C ATOM 112 C GLY A 9 -15.302 0.923 -0.067 1.00 0.00 C ATOM 113 O GLY A 9 -14.359 0.687 -0.798 1.00 0.00 O ATOM 0 H GLY A 9 -17.526 -0.155 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -16.253 -0.970 -0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -17.376 0.362 -0.314 1.00 0.00 H new ATOM 117 N LEU A 10 -15.365 2.025 0.638 1.00 0.00 N ATOM 118 CA LEU A 10 -14.265 3.034 0.561 1.00 0.00 C ATOM 119 C LEU A 10 -13.106 2.615 1.477 1.00 0.00 C ATOM 120 O LEU A 10 -11.956 2.885 1.190 1.00 0.00 O ATOM 121 CB LEU A 10 -14.886 4.349 1.044 1.00 0.00 C ATOM 122 CG LEU A 10 -14.078 5.530 0.496 1.00 0.00 C ATOM 123 CD1 LEU A 10 -14.489 5.807 -0.952 1.00 0.00 C ATOM 124 CD2 LEU A 10 -14.352 6.773 1.348 1.00 0.00 C ATOM 0 H LEU A 10 -16.132 2.269 1.264 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.861 3.128 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.922 4.418 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.899 4.378 2.134 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.016 5.288 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.913 6.647 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.296 4.923 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -15.551 6.048 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.778 7.614 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -15.415 7.012 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.058 6.579 2.380 1.00 0.00 H new ATOM 136 N LEU A 11 -13.404 1.950 2.573 1.00 0.00 N ATOM 137 CA LEU A 11 -12.325 1.504 3.510 1.00 0.00 C ATOM 138 C LEU A 11 -11.293 0.647 2.763 1.00 0.00 C ATOM 139 O LEU A 11 -10.101 0.860 2.882 1.00 0.00 O ATOM 140 CB LEU A 11 -13.039 0.675 4.584 1.00 0.00 C ATOM 141 CG LEU A 11 -12.154 0.573 5.830 1.00 0.00 C ATOM 142 CD1 LEU A 11 -12.785 1.369 6.977 1.00 0.00 C ATOM 143 CD2 LEU A 11 -12.022 -0.896 6.243 1.00 0.00 C ATOM 0 H LEU A 11 -14.351 1.698 2.857 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.784 2.346 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.992 1.137 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.261 -0.321 4.201 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.168 0.980 5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.153 1.295 7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.879 2.415 6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.772 0.964 7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.392 -0.969 7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.009 -1.302 6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.570 -1.464 5.429 1.00 0.00 H new ATOM 155 N HIS A 12 -11.746 -0.312 1.987 1.00 0.00 N ATOM 156 CA HIS A 12 -10.793 -1.180 1.218 1.00 0.00 C ATOM 157 C HIS A 12 -9.905 -0.314 0.315 1.00 0.00 C ATOM 158 O HIS A 12 -8.709 -0.520 0.226 1.00 0.00 O ATOM 159 CB HIS A 12 -11.679 -2.102 0.371 1.00 0.00 C ATOM 160 CG HIS A 12 -11.749 -3.462 1.009 1.00 0.00 C ATOM 161 ND1 HIS A 12 -12.410 -3.685 2.205 1.00 0.00 N ATOM 162 CD2 HIS A 12 -11.248 -4.682 0.626 1.00 0.00 C ATOM 163 CE1 HIS A 12 -12.291 -4.992 2.499 1.00 0.00 C ATOM 164 NE2 HIS A 12 -11.590 -5.647 1.569 1.00 0.00 N ATOM 0 H HIS A 12 -12.733 -0.531 1.853 1.00 0.00 H new ATOM 0 HA HIS A 12 -10.131 -1.745 1.874 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.680 -1.679 0.282 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -11.276 -2.183 -0.638 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.675 -4.865 -0.271 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.711 -5.456 3.379 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.356 -6.640 1.553 1.00 0.00 H new ATOM 172 N LEU A 13 -10.488 0.662 -0.344 1.00 0.00 N ATOM 173 CA LEU A 13 -9.691 1.561 -1.237 1.00 0.00 C ATOM 174 C LEU A 13 -8.621 2.302 -0.425 1.00 0.00 C ATOM 175 O LEU A 13 -7.493 2.443 -0.856 1.00 0.00 O ATOM 176 CB LEU A 13 -10.709 2.549 -1.819 1.00 0.00 C ATOM 177 CG LEU A 13 -10.173 3.137 -3.127 1.00 0.00 C ATOM 178 CD1 LEU A 13 -11.287 3.156 -4.175 1.00 0.00 C ATOM 179 CD2 LEU A 13 -9.683 4.567 -2.880 1.00 0.00 C ATOM 0 H LEU A 13 -11.485 0.874 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.169 1.009 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.658 2.044 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.904 3.348 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.346 2.525 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.904 3.575 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.638 2.139 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.114 3.768 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.301 4.987 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.510 5.178 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.888 4.556 -2.134 1.00 0.00 H new ATOM 191 N HIS A 14 -8.966 2.766 0.755 1.00 0.00 N ATOM 192 CA HIS A 14 -7.969 3.488 1.608 1.00 0.00 C ATOM 193 C HIS A 14 -6.794 2.555 1.934 1.00 0.00 C ATOM 194 O HIS A 14 -5.645 2.908 1.750 1.00 0.00 O ATOM 195 CB HIS A 14 -8.734 3.873 2.881 1.00 0.00 C ATOM 196 CG HIS A 14 -7.767 4.325 3.945 1.00 0.00 C ATOM 197 ND1 HIS A 14 -7.159 5.570 3.913 1.00 0.00 N ATOM 198 CD2 HIS A 14 -7.295 3.707 5.077 1.00 0.00 C ATOM 199 CE1 HIS A 14 -6.363 5.660 4.995 1.00 0.00 C ATOM 200 NE2 HIS A 14 -6.410 4.551 5.739 1.00 0.00 N ATOM 0 H HIS A 14 -9.896 2.675 1.163 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.552 4.365 1.114 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.445 4.670 2.661 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.311 3.021 3.240 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.570 2.715 5.404 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.760 6.524 5.233 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.906 4.364 6.606 1.00 0.00 H new ATOM 208 N GLN A 15 -7.079 1.363 2.404 1.00 0.00 N ATOM 209 CA GLN A 15 -5.984 0.395 2.731 1.00 0.00 C ATOM 210 C GLN A 15 -5.135 0.121 1.482 1.00 0.00 C ATOM 211 O GLN A 15 -3.932 -0.039 1.564 1.00 0.00 O ATOM 212 CB GLN A 15 -6.697 -0.882 3.189 1.00 0.00 C ATOM 213 CG GLN A 15 -7.112 -0.744 4.660 1.00 0.00 C ATOM 214 CD GLN A 15 -5.890 -0.936 5.568 1.00 0.00 C ATOM 215 OE1 GLN A 15 -5.041 -1.764 5.303 1.00 0.00 O ATOM 216 NE2 GLN A 15 -5.766 -0.201 6.640 1.00 0.00 N ATOM 0 H GLN A 15 -8.024 1.019 2.575 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.311 0.777 3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.575 -1.062 2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.038 -1.742 3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.553 0.238 4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.876 -1.483 4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.476 0.495 6.866 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.959 -0.323 7.251 1.00 0.00 H new ATOM 225 N ASN A 16 -5.758 0.081 0.326 1.00 0.00 N ATOM 226 CA ASN A 16 -5.000 -0.164 -0.943 1.00 0.00 C ATOM 227 C ASN A 16 -3.922 0.915 -1.132 1.00 0.00 C ATOM 228 O ASN A 16 -2.839 0.642 -1.613 1.00 0.00 O ATOM 229 CB ASN A 16 -6.055 -0.075 -2.051 1.00 0.00 C ATOM 230 CG ASN A 16 -5.451 -0.530 -3.381 1.00 0.00 C ATOM 231 OD1 ASN A 16 -5.472 -1.701 -3.700 1.00 0.00 O ATOM 232 ND2 ASN A 16 -4.912 0.354 -4.176 1.00 0.00 N ATOM 0 H ASN A 16 -6.763 0.208 0.208 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.487 -1.126 -0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.913 -0.698 -1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.419 0.949 -2.138 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.508 0.061 -5.066 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.895 1.338 -3.908 1.00 0.00 H new ATOM 239 N ILE A 17 -4.212 2.133 -0.744 1.00 0.00 N ATOM 240 CA ILE A 17 -3.208 3.235 -0.886 1.00 0.00 C ATOM 241 C ILE A 17 -2.314 3.294 0.362 1.00 0.00 C ATOM 242 O ILE A 17 -1.153 3.645 0.285 1.00 0.00 O ATOM 243 CB ILE A 17 -4.036 4.520 -1.020 1.00 0.00 C ATOM 244 CG1 ILE A 17 -4.890 4.451 -2.291 1.00 0.00 C ATOM 245 CG2 ILE A 17 -3.102 5.732 -1.105 1.00 0.00 C ATOM 246 CD1 ILE A 17 -6.277 5.034 -2.007 1.00 0.00 C ATOM 0 H ILE A 17 -5.103 2.413 -0.334 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.551 3.089 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.683 4.620 -0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.408 5.006 -3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.980 3.418 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.694 6.642 -1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.494 5.787 -0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.452 5.630 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.884 4.985 -2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.758 4.460 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.178 6.073 -1.693 1.00 0.00 H new ATOM 258 N VAL A 18 -2.848 2.949 1.508 1.00 0.00 N ATOM 259 CA VAL A 18 -2.034 2.980 2.762 1.00 0.00 C ATOM 260 C VAL A 18 -0.958 1.888 2.725 1.00 0.00 C ATOM 261 O VAL A 18 0.152 2.087 3.185 1.00 0.00 O ATOM 262 CB VAL A 18 -3.040 2.725 3.894 1.00 0.00 C ATOM 263 CG1 VAL A 18 -2.301 2.482 5.212 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.948 3.946 4.048 1.00 0.00 C ATOM 0 H VAL A 18 -3.815 2.647 1.629 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.510 3.927 2.894 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.634 1.845 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.025 2.302 6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.651 1.613 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.700 3.357 5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.664 3.768 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.344 4.821 4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.485 4.120 3.116 1.00 0.00 H new ATOM 274 N ASP A 19 -1.278 0.743 2.180 1.00 0.00 N ATOM 275 CA ASP A 19 -0.278 -0.367 2.110 1.00 0.00 C ATOM 276 C ASP A 19 0.661 -0.205 0.898 1.00 0.00 C ATOM 277 O ASP A 19 1.492 -1.055 0.641 1.00 0.00 O ATOM 278 CB ASP A 19 -1.107 -1.650 1.983 1.00 0.00 C ATOM 279 CG ASP A 19 -0.410 -2.785 2.737 1.00 0.00 C ATOM 280 OD1 ASP A 19 -0.573 -2.858 3.944 1.00 0.00 O ATOM 281 OD2 ASP A 19 0.280 -3.561 2.096 1.00 0.00 O ATOM 0 H ASP A 19 -2.191 0.527 1.779 1.00 0.00 H new ATOM 0 HA ASP A 19 0.365 -0.378 2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.107 -1.491 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.226 -1.916 0.933 1.00 0.00 H new ATOM 286 N VAL A 20 0.551 0.871 0.156 1.00 0.00 N ATOM 287 CA VAL A 20 1.459 1.063 -1.020 1.00 0.00 C ATOM 288 C VAL A 20 2.403 2.257 -0.788 1.00 0.00 C ATOM 289 O VAL A 20 3.377 2.429 -1.496 1.00 0.00 O ATOM 290 CB VAL A 20 0.526 1.309 -2.216 1.00 0.00 C ATOM 291 CG1 VAL A 20 0.206 2.802 -2.338 1.00 0.00 C ATOM 292 CG2 VAL A 20 1.211 0.830 -3.500 1.00 0.00 C ATOM 0 H VAL A 20 -0.123 1.620 0.312 1.00 0.00 H new ATOM 0 HA VAL A 20 2.101 0.199 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.402 0.758 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.456 2.964 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.284 3.145 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.130 3.361 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.552 1.003 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.141 1.381 -3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.429 -0.235 -3.421 1.00 0.00 H new ATOM 302 N GLN A 21 2.118 3.078 0.193 1.00 0.00 N ATOM 303 CA GLN A 21 2.991 4.260 0.474 1.00 0.00 C ATOM 304 C GLN A 21 3.897 3.985 1.680 1.00 0.00 C ATOM 305 O GLN A 21 5.010 4.469 1.744 1.00 0.00 O ATOM 306 CB GLN A 21 2.023 5.407 0.782 1.00 0.00 C ATOM 307 CG GLN A 21 1.259 5.792 -0.489 1.00 0.00 C ATOM 308 CD GLN A 21 0.647 7.185 -0.318 1.00 0.00 C ATOM 309 OE1 GLN A 21 -0.544 7.319 -0.130 1.00 0.00 O ATOM 310 NE2 GLN A 21 1.417 8.237 -0.377 1.00 0.00 N ATOM 0 H GLN A 21 1.315 2.980 0.814 1.00 0.00 H new ATOM 0 HA GLN A 21 3.646 4.492 -0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.323 5.106 1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.573 6.268 1.162 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.931 5.782 -1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.475 5.062 -0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.419 8.128 -0.535 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.017 9.169 -0.265 1.00 0.00 H new ATOM 319 N TYR A 22 3.431 3.218 2.639 1.00 0.00 N ATOM 320 CA TYR A 22 4.271 2.920 3.844 1.00 0.00 C ATOM 321 C TYR A 22 5.553 2.162 3.449 1.00 0.00 C ATOM 322 O TYR A 22 6.547 2.216 4.144 1.00 0.00 O ATOM 323 CB TYR A 22 3.374 2.076 4.770 1.00 0.00 C ATOM 324 CG TYR A 22 3.493 0.601 4.446 1.00 0.00 C ATOM 325 CD1 TYR A 22 4.486 -0.175 5.054 1.00 0.00 C ATOM 326 CD2 TYR A 22 2.601 0.013 3.547 1.00 0.00 C ATOM 327 CE1 TYR A 22 4.586 -1.540 4.761 1.00 0.00 C ATOM 328 CE2 TYR A 22 2.702 -1.351 3.252 1.00 0.00 C ATOM 329 CZ TYR A 22 3.692 -2.129 3.860 1.00 0.00 C ATOM 330 OH TYR A 22 3.786 -3.476 3.571 1.00 0.00 O ATOM 0 H TYR A 22 2.507 2.786 2.639 1.00 0.00 H new ATOM 0 HA TYR A 22 4.607 3.830 4.341 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.655 2.247 5.809 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.336 2.392 4.664 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.176 0.280 5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.833 0.611 3.079 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.353 -2.138 5.230 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.014 -1.804 2.553 1.00 0.00 H new ATOM 0 HH TYR A 22 3.089 -3.722 2.928 1.00 0.00 H new ATOM 340 N MET A 23 5.537 1.458 2.343 1.00 0.00 N ATOM 341 CA MET A 23 6.754 0.703 1.914 1.00 0.00 C ATOM 342 C MET A 23 7.662 1.585 1.043 1.00 0.00 C ATOM 343 O MET A 23 8.873 1.490 1.107 1.00 0.00 O ATOM 344 CB MET A 23 6.221 -0.483 1.104 1.00 0.00 C ATOM 345 CG MET A 23 7.248 -1.618 1.111 1.00 0.00 C ATOM 346 SD MET A 23 8.390 -1.412 -0.279 1.00 0.00 S ATOM 347 CE MET A 23 7.510 -2.462 -1.463 1.00 0.00 C ATOM 0 H MET A 23 4.734 1.374 1.720 1.00 0.00 H new ATOM 0 HA MET A 23 7.355 0.382 2.765 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.279 -0.830 1.527 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.015 -0.173 0.080 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.800 -1.617 2.051 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.742 -2.581 1.039 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.052 -2.477 -2.409 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.440 -3.476 -1.068 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.508 -2.066 -1.626 1.00 0.00 H new ATOM 357 N TYR A 24 7.086 2.427 0.220 1.00 0.00 N ATOM 358 CA TYR A 24 7.917 3.298 -0.669 1.00 0.00 C ATOM 359 C TYR A 24 8.299 4.614 0.019 1.00 0.00 C ATOM 360 O TYR A 24 9.341 5.178 -0.260 1.00 0.00 O ATOM 361 CB TYR A 24 7.037 3.569 -1.894 1.00 0.00 C ATOM 362 CG TYR A 24 7.073 2.374 -2.819 1.00 0.00 C ATOM 363 CD1 TYR A 24 6.174 1.317 -2.633 1.00 0.00 C ATOM 364 CD2 TYR A 24 8.005 2.323 -3.862 1.00 0.00 C ATOM 365 CE1 TYR A 24 6.207 0.210 -3.488 1.00 0.00 C ATOM 366 CE2 TYR A 24 8.038 1.216 -4.718 1.00 0.00 C ATOM 367 CZ TYR A 24 7.139 0.159 -4.531 1.00 0.00 C ATOM 368 OH TYR A 24 7.172 -0.931 -5.375 1.00 0.00 O ATOM 0 H TYR A 24 6.078 2.549 0.125 1.00 0.00 H new ATOM 0 HA TYR A 24 8.858 2.814 -0.929 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.012 3.769 -1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.389 4.458 -2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.454 1.356 -1.829 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.699 3.138 -4.006 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.513 -0.605 -3.343 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.757 1.177 -5.523 1.00 0.00 H new ATOM 0 HH TYR A 24 7.877 -0.805 -6.044 1.00 0.00 H new ATOM 378 N GLY A 25 7.471 5.120 0.896 1.00 0.00 N ATOM 379 CA GLY A 25 7.800 6.414 1.574 1.00 0.00 C ATOM 380 C GLY A 25 7.770 6.269 3.103 1.00 0.00 C ATOM 381 O GLY A 25 7.549 7.234 3.808 1.00 0.00 O ATOM 0 H GLY A 25 6.585 4.697 1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.787 6.751 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.088 7.179 1.266 1.00 0.00 H new ATOM 385 N LEU A 26 7.999 5.088 3.629 1.00 0.00 N ATOM 386 CA LEU A 26 7.988 4.918 5.120 1.00 0.00 C ATOM 387 C LEU A 26 8.746 3.642 5.527 1.00 0.00 C ATOM 388 O LEU A 26 8.398 2.984 6.491 1.00 0.00 O ATOM 389 CB LEU A 26 6.507 4.821 5.501 1.00 0.00 C ATOM 390 CG LEU A 26 6.186 5.845 6.594 1.00 0.00 C ATOM 391 CD1 LEU A 26 4.727 6.288 6.471 1.00 0.00 C ATOM 392 CD2 LEU A 26 6.408 5.212 7.971 1.00 0.00 C ATOM 0 H LEU A 26 8.192 4.240 3.096 1.00 0.00 H new ATOM 0 HA LEU A 26 8.483 5.745 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.884 5.002 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.277 3.815 5.853 1.00 0.00 H new ATOM 0 HG LEU A 26 6.840 6.709 6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.501 7.016 7.250 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.565 6.741 5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.073 5.423 6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.179 5.942 8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.755 4.346 8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.447 4.897 8.063 1.00 0.00 H new ATOM 404 N SER A 27 9.781 3.293 4.802 1.00 0.00 N ATOM 405 CA SER A 27 10.567 2.064 5.139 1.00 0.00 C ATOM 406 C SER A 27 11.512 2.320 6.328 1.00 0.00 C ATOM 407 O SER A 27 11.496 1.565 7.285 1.00 0.00 O ATOM 408 CB SER A 27 11.358 1.727 3.874 1.00 0.00 C ATOM 409 OG SER A 27 10.614 0.802 3.092 1.00 0.00 O ATOM 0 H SER A 27 10.117 3.808 3.988 1.00 0.00 H new ATOM 0 HA SER A 27 9.917 1.242 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.553 2.633 3.300 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.326 1.302 4.138 1.00 0.00 H new ATOM 0 HG SER A 27 10.072 1.289 2.437 1.00 0.00 H new ATOM 415 N PRO A 28 12.306 3.372 6.244 1.00 0.00 N ATOM 416 CA PRO A 28 13.250 3.698 7.346 1.00 0.00 C ATOM 417 C PRO A 28 12.498 4.348 8.518 1.00 0.00 C ATOM 418 O PRO A 28 12.754 5.481 8.887 1.00 0.00 O ATOM 419 CB PRO A 28 14.228 4.679 6.706 1.00 0.00 C ATOM 420 CG PRO A 28 13.474 5.308 5.576 1.00 0.00 C ATOM 421 CD PRO A 28 12.406 4.337 5.139 1.00 0.00 C ATOM 0 HA PRO A 28 13.750 2.821 7.758 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.559 5.429 7.424 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.120 4.167 6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.027 6.251 5.892 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.146 5.536 4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.456 4.843 4.968 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.677 3.844 4.205 1.00 0.00 H new ATOM 429 N ALA A 29 11.569 3.633 9.099 1.00 0.00 N ATOM 430 CA ALA A 29 10.780 4.180 10.247 1.00 0.00 C ATOM 431 C ALA A 29 9.999 3.051 10.930 1.00 0.00 C ATOM 432 O ALA A 29 10.080 2.867 12.130 1.00 0.00 O ATOM 433 CB ALA A 29 9.819 5.198 9.626 1.00 0.00 C ATOM 0 H ALA A 29 11.320 2.683 8.825 1.00 0.00 H new ATOM 0 HA ALA A 29 11.416 4.636 11.006 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.205 5.643 10.409 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.391 5.979 9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.177 4.697 8.902 1.00 0.00 H new ATOM 439 N ILE A 30 9.251 2.286 10.166 1.00 0.00 N ATOM 440 CA ILE A 30 8.467 1.155 10.759 1.00 0.00 C ATOM 441 C ILE A 30 9.416 0.055 11.257 1.00 0.00 C ATOM 442 O ILE A 30 9.085 -0.704 12.148 1.00 0.00 O ATOM 443 CB ILE A 30 7.579 0.634 9.618 1.00 0.00 C ATOM 444 CG1 ILE A 30 6.607 1.736 9.177 1.00 0.00 C ATOM 445 CG2 ILE A 30 6.776 -0.581 10.097 1.00 0.00 C ATOM 446 CD1 ILE A 30 6.001 1.375 7.818 1.00 0.00 C ATOM 0 H ILE A 30 9.151 2.397 9.157 1.00 0.00 H new ATOM 0 HA ILE A 30 7.873 1.472 11.617 1.00 0.00 H new ATOM 0 HB ILE A 30 8.212 0.345 8.779 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.817 1.856 9.918 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.129 2.690 9.111 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.148 -0.946 9.284 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.461 -1.370 10.409 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.147 -0.292 10.939 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.311 2.160 7.507 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.796 1.278 7.079 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.463 0.430 7.899 1.00 0.00 H new ATOM 458 N THR A 31 10.597 -0.025 10.694 1.00 0.00 N ATOM 459 CA THR A 31 11.584 -1.063 11.132 1.00 0.00 C ATOM 460 C THR A 31 12.031 -0.794 12.575 1.00 0.00 C ATOM 461 O THR A 31 12.148 -1.704 13.374 1.00 0.00 O ATOM 462 CB THR A 31 12.771 -0.926 10.169 1.00 0.00 C ATOM 463 OG1 THR A 31 13.140 0.445 10.060 1.00 0.00 O ATOM 464 CG2 THR A 31 12.381 -1.461 8.789 1.00 0.00 C ATOM 0 H THR A 31 10.922 0.587 9.946 1.00 0.00 H new ATOM 0 HA THR A 31 11.159 -2.066 11.111 1.00 0.00 H new ATOM 0 HB THR A 31 13.614 -1.500 10.553 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.899 0.532 9.446 1.00 0.00 H new ATOM 0 HG21 THR A 31 13.226 -1.362 8.108 1.00 0.00 H new ATOM 0 HG22 THR A 31 12.103 -2.512 8.871 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.536 -0.891 8.403 1.00 0.00 H new ATOM 472 N LYS A 32 12.273 0.451 12.912 1.00 0.00 N ATOM 473 CA LYS A 32 12.709 0.790 14.306 1.00 0.00 C ATOM 474 C LYS A 32 11.555 0.595 15.306 1.00 0.00 C ATOM 475 O LYS A 32 11.759 0.624 16.506 1.00 0.00 O ATOM 476 CB LYS A 32 13.129 2.262 14.246 1.00 0.00 C ATOM 477 CG LYS A 32 14.306 2.501 15.196 1.00 0.00 C ATOM 478 CD LYS A 32 13.858 3.396 16.354 1.00 0.00 C ATOM 479 CE LYS A 32 14.964 3.452 17.414 1.00 0.00 C ATOM 480 NZ LYS A 32 14.525 4.498 18.384 1.00 0.00 N ATOM 0 H LYS A 32 12.187 1.248 12.282 1.00 0.00 H new ATOM 0 HA LYS A 32 13.521 0.146 14.644 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.411 2.529 13.227 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.290 2.901 14.522 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.675 1.550 15.580 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.131 2.970 14.659 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.639 4.399 15.989 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.938 3.008 16.793 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.088 2.487 17.905 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.925 3.708 16.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.234 4.591 19.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.423 5.408 17.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.612 4.225 18.799 1.00 0.00 H new ATOM 494 N TYR A 33 10.353 0.393 14.824 1.00 0.00 N ATOM 495 CA TYR A 33 9.190 0.191 15.741 1.00 0.00 C ATOM 496 C TYR A 33 9.296 -1.169 16.447 1.00 0.00 C ATOM 497 O TYR A 33 9.058 -1.275 17.636 1.00 0.00 O ATOM 498 CB TYR A 33 7.958 0.228 14.830 1.00 0.00 C ATOM 499 CG TYR A 33 6.748 0.668 15.620 1.00 0.00 C ATOM 500 CD1 TYR A 33 6.431 2.028 15.716 1.00 0.00 C ATOM 501 CD2 TYR A 33 5.941 -0.285 16.253 1.00 0.00 C ATOM 502 CE1 TYR A 33 5.308 2.436 16.444 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.816 0.123 16.980 1.00 0.00 C ATOM 504 CZ TYR A 33 4.500 1.483 17.076 1.00 0.00 C ATOM 505 OH TYR A 33 3.391 1.885 17.792 1.00 0.00 O ATOM 0 H TYR A 33 10.127 0.359 13.830 1.00 0.00 H new ATOM 0 HA TYR A 33 9.145 0.949 16.523 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.130 0.913 13.999 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.783 -0.758 14.400 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.054 2.763 15.228 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.186 -1.334 16.181 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.064 3.486 16.518 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.192 -0.612 17.467 1.00 0.00 H new ATOM 0 HH TYR A 33 2.940 1.099 18.166 1.00 0.00 H new ATOM 515 N VAL A 34 9.654 -2.208 15.726 1.00 0.00 N ATOM 516 CA VAL A 34 9.774 -3.561 16.357 1.00 0.00 C ATOM 517 C VAL A 34 11.232 -3.824 16.783 1.00 0.00 C ATOM 518 O VAL A 34 11.777 -4.887 16.556 1.00 0.00 O ATOM 519 CB VAL A 34 9.324 -4.554 15.270 1.00 0.00 C ATOM 520 CG1 VAL A 34 9.279 -5.973 15.847 1.00 0.00 C ATOM 521 CG2 VAL A 34 7.924 -4.176 14.772 1.00 0.00 C ATOM 0 H VAL A 34 9.868 -2.176 14.729 1.00 0.00 H new ATOM 0 HA VAL A 34 9.167 -3.654 17.258 1.00 0.00 H new ATOM 0 HB VAL A 34 10.033 -4.516 14.443 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.960 -6.671 15.073 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.271 -6.253 16.202 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.574 -6.006 16.678 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.609 -4.881 14.003 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.221 -4.209 15.604 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.946 -3.169 14.355 1.00 0.00 H new ATOM 531 N VAL A 35 11.862 -2.858 17.411 1.00 0.00 N ATOM 532 CA VAL A 35 13.277 -3.041 17.867 1.00 0.00 C ATOM 533 C VAL A 35 13.454 -2.406 19.256 1.00 0.00 C ATOM 534 O VAL A 35 14.336 -1.596 19.479 1.00 0.00 O ATOM 535 CB VAL A 35 14.141 -2.323 16.816 1.00 0.00 C ATOM 536 CG1 VAL A 35 15.625 -2.469 17.175 1.00 0.00 C ATOM 537 CG2 VAL A 35 13.901 -2.944 15.437 1.00 0.00 C ATOM 0 H VAL A 35 11.455 -1.948 17.628 1.00 0.00 H new ATOM 0 HA VAL A 35 13.558 -4.091 17.955 1.00 0.00 H new ATOM 0 HB VAL A 35 13.869 -1.268 16.798 1.00 0.00 H new ATOM 0 HG11 VAL A 35 16.232 -1.959 16.427 1.00 0.00 H new ATOM 0 HG12 VAL A 35 15.808 -2.027 18.154 1.00 0.00 H new ATOM 0 HG13 VAL A 35 15.891 -3.526 17.199 1.00 0.00 H new ATOM 0 HG21 VAL A 35 14.515 -2.432 14.696 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.168 -4.001 15.462 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.849 -2.842 15.170 1.00 0.00 H new ATOM 547 N ARG A 36 12.614 -2.769 20.194 1.00 0.00 N ATOM 548 CA ARG A 36 12.718 -2.194 21.569 1.00 0.00 C ATOM 549 C ARG A 36 12.795 -3.316 22.615 1.00 0.00 C ATOM 550 O ARG A 36 13.591 -3.188 23.530 1.00 0.00 O ATOM 551 CB ARG A 36 11.437 -1.370 21.754 1.00 0.00 C ATOM 552 CG ARG A 36 11.782 0.123 21.789 1.00 0.00 C ATOM 553 CD ARG A 36 11.951 0.657 20.359 1.00 0.00 C ATOM 554 NE ARG A 36 10.584 0.629 19.754 1.00 0.00 N ATOM 555 CZ ARG A 36 9.665 1.467 20.160 1.00 0.00 C ATOM 556 NH1 ARG A 36 9.554 2.640 19.591 1.00 0.00 N ATOM 557 NH2 ARG A 36 8.858 1.130 21.130 1.00 0.00 N ATOM 558 OXT ARG A 36 12.059 -4.281 22.483 1.00 0.00 O ATOM 0 H ARG A 36 11.858 -3.442 20.065 1.00 0.00 H new ATOM 0 HA ARG A 36 13.615 -1.587 21.694 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.742 -1.573 20.939 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.938 -1.659 22.679 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.994 0.675 22.301 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.700 0.279 22.355 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.357 1.669 20.364 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.644 0.038 19.789 1.00 0.00 H new ATOM 0 HE ARG A 36 10.367 -0.047 19.021 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.184 2.900 18.832 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.838 3.294 19.907 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.945 0.214 21.570 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.141 1.783 21.447 1.00 0.00 H new TER 572 ARG A 36