USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 814 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 91 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 ASN : amide:sc= -1.36 X(o=-9.6,f=-9.3!) USER MOD Set 1.3: A 104 HIS : no HD1:sc= -8.27! K(o=-9.6!,f=-6) USER MOD Set 2.1: A 12 MET CE :methyl -137:sc= -0.351 (180deg=0) USER MOD Set 2.2: A 67 ASN : amide:sc= -1.28 K(o=-1.6,f=-2.5) USER MOD Single : A 1 ASP N :NH3+ -117:sc= 0.0196 (180deg=-0.211) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.2 USER MOD Single : A 9 THR OG1 : rot 47:sc= 1.11 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -168:sc= -3.78! USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.311) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.284 K(o=-0.28,f=-3.1!) USER MOD Single : A 26 THR OG1 : rot 150:sc= -3.76! USER MOD Single : A 28 HIS : no HE2:sc= -1.42! C(o=-1.4!,f=-4.2!) USER MOD Single : A 30 THR OG1 : rot 42:sc= 0.322 USER MOD Single : A 36 SER OG : rot 180:sc= -0.728 USER MOD Single : A 37 TYR OH : rot 174:sc= 0.684 USER MOD Single : A 38 SER OG : rot -69:sc= 1.13 USER MOD Single : A 40 SER OG : rot 180:sc= 0.139 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -135:sc= 1.19 USER MOD Single : A 53 SER OG : rot 68:sc= 0.154 USER MOD Single : A 55 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.52) USER MOD Single : A 57 MET CE :methyl 158:sc= -0.317 (180deg=-0.975) USER MOD Single : A 58 THR OG1 : rot 41:sc= 0.495 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0756 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -15:sc= 0.94 USER MOD Single : A 76 ASN : amide:sc= -0.0075 K(o=-0.0075,f=-1.3!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -143:sc= 0 (180deg=-1.36) USER MOD Single : A 90 SER OG : rot 180:sc= -0.133 USER MOD Single : A 96 MET CE :methyl 160:sc= -7.57! (180deg=-8.83!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -4.62! C(o=-4.6!,f=-5.4!) USER MOD Single : A 103 HIS : no HE2:sc= -0.878 K(o=0.033,f=-8.7!) USER MOD Single : A 106 HIS : no HD1:sc= -4.63! C(o=-4.6!,f=-4.6!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 21.935 5.668 4.409 1.00 50.00 N ATOM 2 CA ASP A 1 20.817 4.832 3.885 1.00 50.00 C ATOM 3 C ASP A 1 20.135 4.081 5.031 1.00 50.00 C ATOM 4 O ASP A 1 19.967 2.878 4.984 1.00 50.00 O ATOM 5 CB ASP A 1 21.476 3.850 2.915 1.00 50.00 C ATOM 6 CG ASP A 1 22.404 2.913 3.691 1.00 50.00 C ATOM 7 OD1 ASP A 1 23.562 3.263 3.855 1.00 50.00 O ATOM 8 OD2 ASP A 1 21.943 1.863 4.106 1.00 50.00 O ATOM 0 H1 ASP A 1 21.732 6.672 4.228 1.00 50.00 H new ATOM 0 H2 ASP A 1 22.034 5.514 5.433 1.00 50.00 H new ATOM 0 H3 ASP A 1 22.820 5.402 3.932 1.00 50.00 H new ATOM 0 HA ASP A 1 20.048 5.431 3.397 1.00 50.00 H new ATOM 0 HB2 ASP A 1 20.714 3.273 2.391 1.00 50.00 H new ATOM 0 HB3 ASP A 1 22.041 4.394 2.158 1.00 50.00 H new ATOM 15 N LYS A 2 19.739 4.779 6.059 1.00 50.00 N ATOM 16 CA LYS A 2 19.068 4.103 7.207 1.00 50.00 C ATOM 17 C LYS A 2 17.760 4.819 7.550 1.00 50.00 C ATOM 18 O LYS A 2 17.608 6.001 7.316 1.00 50.00 O ATOM 19 CB LYS A 2 20.059 4.211 8.366 1.00 50.00 C ATOM 20 CG LYS A 2 19.588 3.330 9.526 1.00 50.00 C ATOM 21 CD LYS A 2 20.611 2.220 9.774 1.00 50.00 C ATOM 22 CE LYS A 2 19.913 1.013 10.406 1.00 50.00 C ATOM 23 NZ LYS A 2 20.180 1.137 11.865 1.00 50.00 N ATOM 0 H LYS A 2 19.851 5.788 6.155 1.00 50.00 H new ATOM 0 HA LYS A 2 18.814 3.067 6.985 1.00 50.00 H new ATOM 0 HB2 LYS A 2 21.052 3.900 8.040 1.00 50.00 H new ATOM 0 HB3 LYS A 2 20.141 5.248 8.693 1.00 50.00 H new ATOM 0 HG2 LYS A 2 19.464 3.932 10.426 1.00 50.00 H new ATOM 0 HG3 LYS A 2 18.615 2.897 9.295 1.00 50.00 H new ATOM 0 HD2 LYS A 2 21.083 1.930 8.835 1.00 50.00 H new ATOM 0 HD3 LYS A 2 21.403 2.581 10.431 1.00 50.00 H new ATOM 0 HE2 LYS A 2 18.843 1.022 10.198 1.00 50.00 H new ATOM 0 HE3 LYS A 2 20.307 0.077 10.010 1.00 50.00 H new ATOM 0 HZ1 LYS A 2 19.733 0.344 12.368 1.00 50.00 H new ATOM 0 HZ2 LYS A 2 21.206 1.119 12.033 1.00 50.00 H new ATOM 0 HZ3 LYS A 2 19.788 2.034 12.215 1.00 50.00 H new ATOM 37 N LEU A 3 16.815 4.112 8.106 1.00 50.00 N ATOM 38 CA LEU A 3 15.517 4.753 8.466 1.00 50.00 C ATOM 39 C LEU A 3 15.448 4.992 9.976 1.00 50.00 C ATOM 40 O LEU A 3 15.827 4.150 10.766 1.00 50.00 O ATOM 41 CB LEU A 3 14.447 3.750 8.032 1.00 50.00 C ATOM 42 CG LEU A 3 14.127 3.953 6.551 1.00 50.00 C ATOM 43 CD1 LEU A 3 13.708 2.618 5.932 1.00 50.00 C ATOM 44 CD2 LEU A 3 12.983 4.959 6.411 1.00 50.00 C ATOM 0 H LEU A 3 16.885 3.119 8.327 1.00 50.00 H new ATOM 0 HA LEU A 3 15.386 5.722 7.985 1.00 50.00 H new ATOM 0 HB2 LEU A 3 14.797 2.732 8.203 1.00 50.00 H new ATOM 0 HB3 LEU A 3 13.546 3.882 8.631 1.00 50.00 H new ATOM 0 HG LEU A 3 15.011 4.331 6.037 1.00 50.00 H new ATOM 0 HD11 LEU A 3 13.480 2.762 4.876 1.00 50.00 H new ATOM 0 HD12 LEU A 3 14.521 1.899 6.033 1.00 50.00 H new ATOM 0 HD13 LEU A 3 12.824 2.240 6.446 1.00 50.00 H new ATOM 0 HD21 LEU A 3 12.754 5.105 5.355 1.00 50.00 H new ATOM 0 HD22 LEU A 3 12.100 4.580 6.925 1.00 50.00 H new ATOM 0 HD23 LEU A 3 13.279 5.910 6.853 1.00 50.00 H new ATOM 56 N ALA A 4 14.969 6.136 10.384 1.00 50.00 N ATOM 57 CA ALA A 4 14.879 6.426 11.844 1.00 50.00 C ATOM 58 C ALA A 4 13.427 6.708 12.240 1.00 50.00 C ATOM 59 O ALA A 4 12.678 7.315 11.499 1.00 50.00 O ATOM 60 CB ALA A 4 15.745 7.668 12.056 1.00 50.00 C ATOM 0 H ALA A 4 14.637 6.881 9.771 1.00 50.00 H new ATOM 0 HA ALA A 4 15.215 5.587 12.453 1.00 50.00 H new ATOM 0 HB1 ALA A 4 15.730 7.946 13.110 1.00 50.00 H new ATOM 0 HB2 ALA A 4 16.769 7.454 11.751 1.00 50.00 H new ATOM 0 HB3 ALA A 4 15.353 8.491 11.458 1.00 50.00 H new ATOM 66 N LEU A 5 13.025 6.274 13.402 1.00 50.00 N ATOM 67 CA LEU A 5 11.623 6.517 13.846 1.00 50.00 C ATOM 68 C LEU A 5 11.549 7.791 14.694 1.00 50.00 C ATOM 69 O LEU A 5 11.479 7.738 15.906 1.00 50.00 O ATOM 70 CB LEU A 5 11.257 5.294 14.686 1.00 50.00 C ATOM 71 CG LEU A 5 9.737 5.212 14.836 1.00 50.00 C ATOM 72 CD1 LEU A 5 9.189 4.131 13.903 1.00 50.00 C ATOM 73 CD2 LEU A 5 9.389 4.858 16.284 1.00 50.00 C ATOM 0 H LEU A 5 13.607 5.761 14.064 1.00 50.00 H new ATOM 0 HA LEU A 5 10.942 6.655 13.006 1.00 50.00 H new ATOM 0 HB2 LEU A 5 11.635 4.388 14.212 1.00 50.00 H new ATOM 0 HB3 LEU A 5 11.727 5.360 15.667 1.00 50.00 H new ATOM 0 HG LEU A 5 9.293 6.173 14.577 1.00 50.00 H new ATOM 0 HD11 LEU A 5 8.106 4.073 14.010 1.00 50.00 H new ATOM 0 HD12 LEU A 5 9.439 4.380 12.872 1.00 50.00 H new ATOM 0 HD13 LEU A 5 9.631 3.169 14.161 1.00 50.00 H new ATOM 0 HD21 LEU A 5 8.306 4.799 16.394 1.00 50.00 H new ATOM 0 HD22 LEU A 5 9.833 3.896 16.540 1.00 50.00 H new ATOM 0 HD23 LEU A 5 9.780 5.627 16.951 1.00 50.00 H new ATOM 85 N LYS A 6 11.567 8.934 14.066 1.00 50.00 N ATOM 86 CA LYS A 6 11.500 10.210 14.835 1.00 50.00 C ATOM 87 C LYS A 6 10.059 10.729 14.871 1.00 50.00 C ATOM 88 O LYS A 6 9.241 10.373 14.046 1.00 50.00 O ATOM 89 CB LYS A 6 12.400 11.182 14.071 1.00 50.00 C ATOM 90 CG LYS A 6 11.711 11.606 12.774 1.00 50.00 C ATOM 91 CD LYS A 6 12.702 11.505 11.613 1.00 50.00 C ATOM 92 CE LYS A 6 13.886 12.440 11.868 1.00 50.00 C ATOM 93 NZ LYS A 6 13.847 13.426 10.753 1.00 50.00 N ATOM 0 H LYS A 6 11.625 9.040 13.053 1.00 50.00 H new ATOM 0 HA LYS A 6 11.820 10.086 15.869 1.00 50.00 H new ATOM 0 HB2 LYS A 6 12.612 12.057 14.685 1.00 50.00 H new ATOM 0 HB3 LYS A 6 13.357 10.710 13.849 1.00 50.00 H new ATOM 0 HG2 LYS A 6 10.846 10.970 12.584 1.00 50.00 H new ATOM 0 HG3 LYS A 6 11.342 12.628 12.863 1.00 50.00 H new ATOM 0 HD2 LYS A 6 13.052 10.478 11.508 1.00 50.00 H new ATOM 0 HD3 LYS A 6 12.210 11.771 10.677 1.00 50.00 H new ATOM 0 HE2 LYS A 6 13.797 12.935 12.835 1.00 50.00 H new ATOM 0 HE3 LYS A 6 14.828 11.891 11.876 1.00 50.00 H new ATOM 0 HZ1 LYS A 6 14.630 14.102 10.860 1.00 50.00 H new ATOM 0 HZ2 LYS A 6 13.941 12.927 9.845 1.00 50.00 H new ATOM 0 HZ3 LYS A 6 12.942 13.939 10.774 1.00 50.00 H new ATOM 107 N GLY A 7 9.743 11.565 15.821 1.00 50.00 N ATOM 108 CA GLY A 7 8.356 12.103 15.908 1.00 50.00 C ATOM 109 C GLY A 7 8.379 13.617 15.695 1.00 50.00 C ATOM 110 O GLY A 7 8.454 14.384 16.635 1.00 50.00 O ATOM 0 H GLY A 7 10.384 11.899 16.540 1.00 50.00 H new ATOM 0 HA2 GLY A 7 7.724 11.629 15.157 1.00 50.00 H new ATOM 0 HA3 GLY A 7 7.925 11.869 16.881 1.00 50.00 H new ATOM 114 N THR A 8 8.313 14.056 14.467 1.00 50.00 N ATOM 115 CA THR A 8 8.330 15.523 14.198 1.00 50.00 C ATOM 116 C THR A 8 6.968 16.137 14.535 1.00 50.00 C ATOM 117 O THR A 8 5.942 15.498 14.413 1.00 50.00 O ATOM 118 CB THR A 8 8.622 15.653 12.701 1.00 50.00 C ATOM 119 OG1 THR A 8 8.813 14.361 12.142 1.00 50.00 O ATOM 120 CG2 THR A 8 9.886 16.490 12.497 1.00 50.00 C ATOM 0 H THR A 8 8.248 13.463 13.639 1.00 50.00 H new ATOM 0 HA THR A 8 9.073 16.044 14.802 1.00 50.00 H new ATOM 0 HB THR A 8 7.781 16.141 12.208 1.00 50.00 H new ATOM 0 HG1 THR A 8 8.998 14.444 11.183 1.00 50.00 H new ATOM 0 HG21 THR A 8 10.093 16.582 11.431 1.00 50.00 H new ATOM 0 HG22 THR A 8 9.739 17.482 12.925 1.00 50.00 H new ATOM 0 HG23 THR A 8 10.728 16.004 12.990 1.00 50.00 H new ATOM 128 N THR A 9 6.950 17.371 14.959 1.00 50.00 N ATOM 129 CA THR A 9 5.652 18.019 15.304 1.00 50.00 C ATOM 130 C THR A 9 4.946 18.507 14.037 1.00 50.00 C ATOM 131 O THR A 9 5.253 19.557 13.509 1.00 50.00 O ATOM 132 CB THR A 9 6.024 19.203 16.199 1.00 50.00 C ATOM 133 OG1 THR A 9 6.881 20.082 15.485 1.00 50.00 O ATOM 134 CG2 THR A 9 6.740 18.695 17.451 1.00 50.00 C ATOM 0 H THR A 9 7.775 17.958 15.081 1.00 50.00 H new ATOM 0 HA THR A 9 4.969 17.330 15.801 1.00 50.00 H new ATOM 0 HB THR A 9 5.119 19.735 16.493 1.00 50.00 H new ATOM 0 HG1 THR A 9 6.515 20.241 14.590 1.00 50.00 H new ATOM 0 HG21 THR A 9 7.004 19.540 18.087 1.00 50.00 H new ATOM 0 HG22 THR A 9 6.081 18.021 17.998 1.00 50.00 H new ATOM 0 HG23 THR A 9 7.646 18.162 17.161 1.00 50.00 H new ATOM 142 N TYR A 10 4.000 17.755 13.547 1.00 50.00 N ATOM 143 CA TYR A 10 3.271 18.176 12.316 1.00 50.00 C ATOM 144 C TYR A 10 1.868 17.563 12.303 1.00 50.00 C ATOM 145 O TYR A 10 1.609 16.569 12.952 1.00 50.00 O ATOM 146 CB TYR A 10 4.107 17.637 11.154 1.00 50.00 C ATOM 147 CG TYR A 10 4.952 18.752 10.584 1.00 50.00 C ATOM 148 CD1 TYR A 10 4.340 19.908 10.085 1.00 50.00 C ATOM 149 CD2 TYR A 10 6.346 18.630 10.557 1.00 50.00 C ATOM 150 CE1 TYR A 10 5.122 20.942 9.557 1.00 50.00 C ATOM 151 CE2 TYR A 10 7.128 19.665 10.030 1.00 50.00 C ATOM 152 CZ TYR A 10 6.516 20.820 9.530 1.00 50.00 C ATOM 153 OH TYR A 10 7.288 21.840 9.011 1.00 49.57 O ATOM 0 H TYR A 10 3.699 16.866 13.946 1.00 50.00 H new ATOM 0 HA TYR A 10 3.147 19.257 12.256 1.00 50.00 H new ATOM 0 HB2 TYR A 10 4.744 16.822 11.497 1.00 50.00 H new ATOM 0 HB3 TYR A 10 3.455 17.228 10.382 1.00 50.00 H new ATOM 0 HD1 TYR A 10 3.264 20.002 10.107 1.00 50.00 H new ATOM 0 HD2 TYR A 10 6.818 17.738 10.942 1.00 50.00 H new ATOM 0 HE1 TYR A 10 4.650 21.833 9.171 1.00 50.00 H new ATOM 0 HE2 TYR A 10 8.204 19.572 10.009 1.00 50.00 H new ATOM 0 HH TYR A 10 8.235 21.595 9.069 1.00 49.57 H new ATOM 163 N GLY A 11 0.960 18.151 11.574 1.00 50.00 N ATOM 164 CA GLY A 11 -0.424 17.603 11.527 1.00 50.00 C ATOM 165 C GLY A 11 -0.549 16.613 10.368 1.00 50.00 C ATOM 166 O GLY A 11 -0.027 16.830 9.293 1.00 50.00 O ATOM 0 H GLY A 11 1.117 18.986 11.010 1.00 50.00 H new ATOM 0 HA2 GLY A 11 -0.661 17.107 12.468 1.00 50.00 H new ATOM 0 HA3 GLY A 11 -1.142 18.414 11.404 1.00 50.00 H new ATOM 170 N MET A 12 -1.238 15.525 10.580 1.00 50.00 N ATOM 171 CA MET A 12 -1.404 14.519 9.497 1.00 50.00 C ATOM 172 C MET A 12 -2.381 15.042 8.440 1.00 50.00 C ATOM 173 O MET A 12 -3.568 15.141 8.678 1.00 50.00 O ATOM 174 CB MET A 12 -1.985 13.297 10.206 1.00 50.00 C ATOM 175 CG MET A 12 -1.076 12.902 11.372 1.00 50.00 C ATOM 176 SD MET A 12 -1.956 11.751 12.458 1.00 50.00 S ATOM 177 CE MET A 12 -0.960 10.286 12.091 1.00 50.00 C ATOM 0 H MET A 12 -1.694 15.290 11.461 1.00 50.00 H new ATOM 0 HA MET A 12 -0.471 14.295 8.980 1.00 50.00 H new ATOM 0 HB2 MET A 12 -2.988 13.518 10.572 1.00 50.00 H new ATOM 0 HB3 MET A 12 -2.077 12.467 9.506 1.00 50.00 H new ATOM 0 HG2 MET A 12 -0.164 12.439 10.996 1.00 50.00 H new ATOM 0 HG3 MET A 12 -0.776 13.789 11.930 1.00 50.00 H new ATOM 0 HE1 MET A 12 -1.614 9.423 11.966 1.00 50.00 H new ATOM 0 HE2 MET A 12 -0.396 10.450 11.173 1.00 50.00 H new ATOM 0 HE3 MET A 12 -0.269 10.101 12.913 1.00 50.00 H new ATOM 187 N CYS A 13 -1.898 15.378 7.272 1.00 99.99 N ATOM 188 CA CYS A 13 -2.820 15.890 6.218 1.00 99.99 C ATOM 189 C CYS A 13 -2.321 15.515 4.813 1.00 99.99 C ATOM 190 O CYS A 13 -1.366 16.066 4.309 1.00 99.99 O ATOM 191 CB CYS A 13 -2.833 17.413 6.419 1.00 99.99 C ATOM 192 SG CYS A 13 -1.351 18.174 5.695 1.00 99.99 S ATOM 0 H CYS A 13 -0.915 15.321 7.005 1.00 99.99 H new ATOM 0 HA CYS A 13 -3.818 15.459 6.299 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -3.726 17.837 5.960 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -2.882 17.643 7.483 1.00 99.99 H new ATOM 197 N THR A 14 -2.972 14.587 4.168 1.00 99.99 N ATOM 198 CA THR A 14 -2.537 14.198 2.794 1.00 99.99 C ATOM 199 C THR A 14 -3.660 13.462 2.064 1.00 99.99 C ATOM 200 O THR A 14 -3.475 12.368 1.567 1.00 99.99 O ATOM 201 CB THR A 14 -1.334 13.276 2.993 1.00 99.99 C ATOM 202 OG1 THR A 14 -0.532 13.765 4.062 1.00 99.99 O ATOM 203 CG2 THR A 14 -0.509 13.236 1.706 1.00 99.99 C ATOM 0 H THR A 14 -3.782 14.083 4.529 1.00 99.99 H new ATOM 0 HA THR A 14 -2.284 15.069 2.189 1.00 99.99 H new ATOM 0 HB THR A 14 -1.679 12.271 3.234 1.00 99.99 H new ATOM 0 HG1 THR A 14 0.326 13.291 4.071 1.00 99.99 H new ATOM 0 HG21 THR A 14 0.350 12.579 1.845 1.00 99.99 H new ATOM 0 HG22 THR A 14 -1.126 12.859 0.890 1.00 99.99 H new ATOM 0 HG23 THR A 14 -0.162 14.241 1.465 1.00 99.99 H new ATOM 211 N GLU A 15 -4.821 14.047 1.989 1.00 99.99 N ATOM 212 CA GLU A 15 -5.945 13.371 1.284 1.00 99.99 C ATOM 213 C GLU A 15 -5.744 13.454 -0.232 1.00 99.99 C ATOM 214 O GLU A 15 -6.589 13.044 -1.002 1.00 99.99 O ATOM 215 CB GLU A 15 -7.199 14.138 1.706 1.00 99.99 C ATOM 216 CG GLU A 15 -7.258 15.473 0.962 1.00 99.99 C ATOM 217 CD GLU A 15 -8.586 16.169 1.267 1.00 99.99 C ATOM 218 OE1 GLU A 15 -9.103 15.964 2.352 1.00 99.99 O ATOM 219 OE2 GLU A 15 -9.062 16.896 0.411 1.00 99.99 O ATOM 0 H GLU A 15 -5.041 14.961 2.384 1.00 99.99 H new ATOM 0 HA GLU A 15 -6.014 12.313 1.536 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -8.089 13.548 1.487 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -7.187 14.310 2.782 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -6.425 16.107 1.265 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -7.160 15.308 -0.111 1.00 99.99 H new ATOM 226 N LYS A 16 -4.632 13.986 -0.667 1.00 50.00 N ATOM 227 CA LYS A 16 -4.384 14.095 -2.134 1.00 50.00 C ATOM 228 C LYS A 16 -3.621 12.867 -2.639 1.00 50.00 C ATOM 229 O LYS A 16 -2.524 12.976 -3.150 1.00 50.00 O ATOM 230 CB LYS A 16 -3.531 15.356 -2.310 1.00 50.00 C ATOM 231 CG LYS A 16 -3.911 16.401 -1.257 1.00 50.00 C ATOM 232 CD LYS A 16 -3.613 17.800 -1.799 1.00 50.00 C ATOM 233 CE LYS A 16 -4.748 18.752 -1.415 1.00 50.00 C ATOM 234 NZ LYS A 16 -4.704 18.825 0.071 1.00 50.00 N ATOM 0 H LYS A 16 -3.887 14.349 -0.072 1.00 50.00 H new ATOM 0 HA LYS A 16 -5.315 14.150 -2.698 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -2.474 15.105 -2.219 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -3.677 15.766 -3.309 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -4.968 16.314 -1.007 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -3.351 16.228 -0.338 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -2.668 18.163 -1.396 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -3.505 17.766 -2.883 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -4.606 19.736 -1.863 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -5.711 18.379 -1.763 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -5.212 19.674 0.392 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -5.155 17.979 0.474 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -3.714 18.873 0.387 1.00 50.00 H new ATOM 248 N PHE A 17 -4.191 11.699 -2.510 1.00 50.00 N ATOM 249 CA PHE A 17 -3.491 10.473 -2.994 1.00 50.00 C ATOM 250 C PHE A 17 -3.987 10.108 -4.396 1.00 50.00 C ATOM 251 O PHE A 17 -5.138 10.311 -4.729 1.00 50.00 O ATOM 252 CB PHE A 17 -3.854 9.376 -1.990 1.00 50.00 C ATOM 253 CG PHE A 17 -2.587 8.757 -1.446 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.455 8.647 -2.262 1.00 50.00 C ATOM 255 CD2 PHE A 17 -2.545 8.294 -0.125 1.00 50.00 C ATOM 256 CE1 PHE A 17 -0.281 8.074 -1.757 1.00 50.00 C ATOM 257 CE2 PHE A 17 -1.370 7.722 0.379 1.00 50.00 C ATOM 258 CZ PHE A 17 -0.239 7.612 -0.438 1.00 50.00 C ATOM 0 H PHE A 17 -5.108 11.540 -2.092 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.412 10.613 -3.062 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -4.447 9.794 -1.176 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -4.467 8.614 -2.472 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -1.487 9.004 -3.281 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -3.418 8.378 0.505 1.00 50.00 H new ATOM 0 HE1 PHE A 17 0.592 7.989 -2.387 1.00 50.00 H new ATOM 0 HE2 PHE A 17 -1.337 7.366 1.398 1.00 50.00 H new ATOM 0 HZ PHE A 17 0.667 7.170 -0.049 1.00 50.00 H new ATOM 268 N SER A 18 -3.127 9.579 -5.223 1.00 50.00 N ATOM 269 CA SER A 18 -3.555 9.209 -6.605 1.00 50.00 C ATOM 270 C SER A 18 -3.194 7.751 -6.903 1.00 50.00 C ATOM 271 O SER A 18 -2.051 7.424 -7.149 1.00 50.00 O ATOM 272 CB SER A 18 -2.778 10.152 -7.522 1.00 50.00 C ATOM 273 OG SER A 18 -3.680 10.768 -8.432 1.00 50.00 O ATOM 0 H SER A 18 -2.149 9.387 -5.004 1.00 50.00 H new ATOM 0 HA SER A 18 -4.633 9.300 -6.742 1.00 50.00 H new ATOM 0 HB2 SER A 18 -2.264 10.910 -6.932 1.00 50.00 H new ATOM 0 HB3 SER A 18 -2.013 9.600 -8.068 1.00 50.00 H new ATOM 0 HG SER A 18 -3.186 11.375 -9.021 1.00 50.00 H new ATOM 279 N PHE A 19 -4.161 6.874 -6.888 1.00 50.00 N ATOM 280 CA PHE A 19 -3.870 5.438 -7.173 1.00 50.00 C ATOM 281 C PHE A 19 -3.294 5.280 -8.583 1.00 50.00 C ATOM 282 O PHE A 19 -4.018 5.216 -9.556 1.00 50.00 O ATOM 283 CB PHE A 19 -5.219 4.725 -7.066 1.00 50.00 C ATOM 284 CG PHE A 19 -5.946 5.203 -5.832 1.00 50.00 C ATOM 285 CD1 PHE A 19 -5.495 4.824 -4.564 1.00 50.00 C ATOM 286 CD2 PHE A 19 -7.070 6.028 -5.959 1.00 50.00 C ATOM 287 CE1 PHE A 19 -6.168 5.269 -3.419 1.00 50.00 C ATOM 288 CE2 PHE A 19 -7.743 6.474 -4.815 1.00 50.00 C ATOM 289 CZ PHE A 19 -7.292 6.093 -3.546 1.00 50.00 C ATOM 0 H PHE A 19 -5.139 7.088 -6.691 1.00 50.00 H new ATOM 0 HA PHE A 19 -3.135 5.026 -6.481 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -5.819 4.924 -7.954 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -5.069 3.646 -7.018 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -4.628 4.188 -4.467 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -7.418 6.320 -6.939 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -5.820 4.977 -2.439 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -8.609 7.111 -4.912 1.00 50.00 H new ATOM 0 HZ PHE A 19 -7.812 6.435 -2.664 1.00 50.00 H new ATOM 299 N ALA A 20 -1.997 5.213 -8.700 1.00 50.00 N ATOM 300 CA ALA A 20 -1.378 5.054 -10.048 1.00 50.00 C ATOM 301 C ALA A 20 -1.343 3.574 -10.437 1.00 50.00 C ATOM 302 O ALA A 20 -1.394 3.225 -11.600 1.00 50.00 O ATOM 303 CB ALA A 20 0.040 5.606 -9.901 1.00 50.00 C ATOM 0 H ALA A 20 -1.339 5.261 -7.922 1.00 50.00 H new ATOM 0 HA ALA A 20 -1.937 5.575 -10.826 1.00 50.00 H new ATOM 0 HB1 ALA A 20 0.563 5.524 -10.854 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -0.006 6.653 -9.601 1.00 50.00 H new ATOM 0 HB3 ALA A 20 0.576 5.035 -9.143 1.00 50.00 H new ATOM 309 N LYS A 21 -1.258 2.701 -9.470 1.00 50.00 N ATOM 310 CA LYS A 21 -1.220 1.243 -9.780 1.00 50.00 C ATOM 311 C LYS A 21 -1.965 0.456 -8.699 1.00 50.00 C ATOM 312 O LYS A 21 -1.971 0.825 -7.541 1.00 50.00 O ATOM 313 CB LYS A 21 0.264 0.877 -9.781 1.00 50.00 C ATOM 314 CG LYS A 21 1.049 1.941 -10.548 1.00 50.00 C ATOM 315 CD LYS A 21 2.385 1.356 -11.011 1.00 50.00 C ATOM 316 CE LYS A 21 3.236 2.459 -11.643 1.00 50.00 C ATOM 317 NZ LYS A 21 3.410 2.045 -13.063 1.00 50.00 N ATOM 0 H LYS A 21 -1.213 2.935 -8.478 1.00 50.00 H new ATOM 0 HA LYS A 21 -1.698 1.009 -10.731 1.00 50.00 H new ATOM 0 HB2 LYS A 21 0.633 0.804 -8.758 1.00 50.00 H new ATOM 0 HB3 LYS A 21 0.409 -0.100 -10.242 1.00 50.00 H new ATOM 0 HG2 LYS A 21 0.473 2.284 -11.407 1.00 50.00 H new ATOM 0 HG3 LYS A 21 1.221 2.810 -9.912 1.00 50.00 H new ATOM 0 HD2 LYS A 21 2.913 0.915 -10.166 1.00 50.00 H new ATOM 0 HD3 LYS A 21 2.213 0.557 -11.732 1.00 50.00 H new ATOM 0 HE2 LYS A 21 2.742 3.428 -11.572 1.00 50.00 H new ATOM 0 HE3 LYS A 21 4.198 2.554 -11.139 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 3.984 2.753 -13.563 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 3.889 1.122 -13.099 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 2.478 1.970 -13.519 1.00 50.00 H new ATOM 331 N ASN A 22 -2.593 -0.625 -9.067 1.00 50.00 N ATOM 332 CA ASN A 22 -3.338 -1.433 -8.061 1.00 50.00 C ATOM 333 C ASN A 22 -2.358 -2.204 -7.173 1.00 50.00 C ATOM 334 O ASN A 22 -1.207 -2.376 -7.521 1.00 50.00 O ATOM 335 CB ASN A 22 -4.192 -2.400 -8.881 1.00 50.00 C ATOM 336 CG ASN A 22 -5.329 -1.629 -9.554 1.00 50.00 C ATOM 337 OD1 ASN A 22 -5.238 -0.433 -9.745 1.00 50.00 O ATOM 338 ND2 ASN A 22 -6.405 -2.269 -9.923 1.00 50.00 N ATOM 0 H ASN A 22 -2.623 -0.985 -10.021 1.00 50.00 H new ATOM 0 HA ASN A 22 -3.945 -0.813 -7.402 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -3.579 -2.896 -9.634 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -4.598 -3.180 -8.237 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -7.170 -1.765 -10.372 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -6.481 -3.273 -9.763 1.00 50.00 H new ATOM 345 N PRO A 23 -2.855 -2.646 -6.051 1.00 50.00 N ATOM 346 CA PRO A 23 -2.017 -3.411 -5.096 1.00 50.00 C ATOM 347 C PRO A 23 -1.739 -4.814 -5.642 1.00 50.00 C ATOM 348 O PRO A 23 -2.634 -5.506 -6.086 1.00 50.00 O ATOM 349 CB PRO A 23 -2.877 -3.475 -3.837 1.00 50.00 C ATOM 350 CG PRO A 23 -4.284 -3.319 -4.320 1.00 50.00 C ATOM 351 CD PRO A 23 -4.230 -2.478 -5.570 1.00 50.00 C ATOM 0 HA PRO A 23 -1.043 -2.956 -4.915 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -2.742 -4.422 -3.315 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -2.610 -2.684 -3.136 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -4.730 -4.291 -4.528 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -4.902 -2.841 -3.560 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -4.956 -2.816 -6.310 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -4.454 -1.433 -5.358 1.00 50.00 H new ATOM 359 N ALA A 24 -0.505 -5.239 -5.617 1.00 50.00 N ATOM 360 CA ALA A 24 -0.175 -6.596 -6.141 1.00 50.00 C ATOM 361 C ALA A 24 0.584 -7.404 -5.086 1.00 50.00 C ATOM 362 O ALA A 24 1.330 -6.863 -4.294 1.00 50.00 O ATOM 363 CB ALA A 24 0.709 -6.343 -7.363 1.00 50.00 C ATOM 0 H ALA A 24 0.288 -4.707 -5.257 1.00 50.00 H new ATOM 0 HA ALA A 24 -1.067 -7.169 -6.394 1.00 50.00 H new ATOM 0 HB1 ALA A 24 0.996 -7.296 -7.808 1.00 50.00 H new ATOM 0 HB2 ALA A 24 0.158 -5.752 -8.095 1.00 50.00 H new ATOM 0 HB3 ALA A 24 1.604 -5.801 -7.059 1.00 50.00 H new ATOM 369 N ASP A 25 0.399 -8.696 -5.070 1.00 50.00 N ATOM 370 CA ASP A 25 1.109 -9.541 -4.067 1.00 50.00 C ATOM 371 C ASP A 25 2.563 -9.757 -4.493 1.00 50.00 C ATOM 372 O ASP A 25 2.841 -10.395 -5.488 1.00 50.00 O ATOM 373 CB ASP A 25 0.349 -10.868 -4.060 1.00 50.00 C ATOM 374 CG ASP A 25 0.241 -11.402 -5.490 1.00 50.00 C ATOM 375 OD1 ASP A 25 -0.623 -10.934 -6.211 1.00 50.00 O ATOM 376 OD2 ASP A 25 1.026 -12.269 -5.837 1.00 50.00 O ATOM 0 H ASP A 25 -0.214 -9.204 -5.708 1.00 50.00 H new ATOM 0 HA ASP A 25 1.133 -9.080 -3.080 1.00 50.00 H new ATOM 0 HB2 ASP A 25 0.865 -11.591 -3.428 1.00 50.00 H new ATOM 0 HB3 ASP A 25 -0.646 -10.727 -3.637 1.00 50.00 H new ATOM 381 N THR A 26 3.494 -9.228 -3.746 1.00 50.00 N ATOM 382 CA THR A 26 4.930 -9.404 -4.110 1.00 50.00 C ATOM 383 C THR A 26 5.421 -10.790 -3.684 1.00 50.00 C ATOM 384 O THR A 26 6.467 -11.243 -4.102 1.00 50.00 O ATOM 385 CB THR A 26 5.671 -8.312 -3.336 1.00 50.00 C ATOM 386 OG1 THR A 26 4.747 -7.314 -2.928 1.00 50.00 O ATOM 387 CG2 THR A 26 6.741 -7.685 -4.231 1.00 50.00 C ATOM 0 H THR A 26 3.323 -8.683 -2.901 1.00 50.00 H new ATOM 0 HA THR A 26 5.095 -9.327 -5.185 1.00 50.00 H new ATOM 0 HB THR A 26 6.147 -8.748 -2.458 1.00 50.00 H new ATOM 0 HG1 THR A 26 5.053 -6.907 -2.091 1.00 50.00 H new ATOM 0 HG21 THR A 26 7.268 -6.907 -3.678 1.00 50.00 H new ATOM 0 HG22 THR A 26 7.450 -8.452 -4.543 1.00 50.00 H new ATOM 0 HG23 THR A 26 6.269 -7.248 -5.111 1.00 50.00 H new ATOM 395 N GLY A 27 4.673 -11.466 -2.856 1.00 50.00 N ATOM 396 CA GLY A 27 5.099 -12.821 -2.404 1.00 50.00 C ATOM 397 C GLY A 27 4.095 -13.358 -1.383 1.00 50.00 C ATOM 398 O GLY A 27 2.993 -13.740 -1.723 1.00 50.00 O ATOM 0 H GLY A 27 3.786 -11.139 -2.473 1.00 50.00 H new ATOM 0 HA2 GLY A 27 5.163 -13.497 -3.257 1.00 50.00 H new ATOM 0 HA3 GLY A 27 6.094 -12.772 -1.961 1.00 50.00 H new ATOM 402 N HIS A 28 4.466 -13.388 -0.132 1.00 50.00 N ATOM 403 CA HIS A 28 3.532 -13.900 0.910 1.00 50.00 C ATOM 404 C HIS A 28 3.284 -12.827 1.973 1.00 50.00 C ATOM 405 O HIS A 28 4.108 -12.590 2.834 1.00 50.00 O ATOM 406 CB HIS A 28 4.243 -15.108 1.524 1.00 50.00 C ATOM 407 CG HIS A 28 5.691 -14.775 1.757 1.00 50.00 C ATOM 408 ND1 HIS A 28 6.114 -14.044 2.855 1.00 50.00 N ATOM 409 CD2 HIS A 28 6.825 -15.066 1.039 1.00 50.00 C ATOM 410 CE1 HIS A 28 7.450 -13.920 2.768 1.00 50.00 C ATOM 411 NE2 HIS A 28 7.935 -14.524 1.680 1.00 50.00 N ATOM 0 H HIS A 28 5.375 -13.080 0.213 1.00 50.00 H new ATOM 0 HA HIS A 28 2.560 -14.167 0.495 1.00 50.00 H new ATOM 0 HB2 HIS A 28 3.767 -15.384 2.465 1.00 50.00 H new ATOM 0 HB3 HIS A 28 4.159 -15.968 0.860 1.00 50.00 H new ATOM 0 HD1 HIS A 28 5.520 -13.668 3.595 1.00 50.00 H new ATOM 0 HD2 HIS A 28 6.851 -15.629 0.118 1.00 50.00 H new ATOM 0 HE1 HIS A 28 8.058 -13.395 3.491 1.00 50.00 H new ATOM 419 N GLY A 29 2.154 -12.176 1.919 1.00 50.00 N ATOM 420 CA GLY A 29 1.854 -11.120 2.926 1.00 50.00 C ATOM 421 C GLY A 29 2.533 -9.811 2.517 1.00 50.00 C ATOM 422 O GLY A 29 2.803 -8.958 3.340 1.00 50.00 O ATOM 0 H GLY A 29 1.426 -12.330 1.221 1.00 50.00 H new ATOM 0 HA2 GLY A 29 0.777 -10.973 3.004 1.00 50.00 H new ATOM 0 HA3 GLY A 29 2.205 -11.431 3.910 1.00 50.00 H new ATOM 426 N THR A 30 2.813 -9.643 1.253 1.00 50.00 N ATOM 427 CA THR A 30 3.475 -8.385 0.800 1.00 50.00 C ATOM 428 C THR A 30 2.717 -7.782 -0.386 1.00 50.00 C ATOM 429 O THR A 30 2.764 -8.290 -1.488 1.00 50.00 O ATOM 430 CB THR A 30 4.883 -8.807 0.376 1.00 50.00 C ATOM 431 OG1 THR A 30 4.796 -9.901 -0.527 1.00 50.00 O ATOM 432 CG2 THR A 30 5.687 -9.224 1.608 1.00 50.00 C ATOM 0 H THR A 30 2.613 -10.320 0.516 1.00 50.00 H new ATOM 0 HA THR A 30 3.494 -7.626 1.582 1.00 50.00 H new ATOM 0 HB THR A 30 5.381 -7.970 -0.113 1.00 50.00 H new ATOM 0 HG1 THR A 30 4.064 -9.746 -1.159 1.00 50.00 H new ATOM 0 HG21 THR A 30 6.690 -9.524 1.304 1.00 50.00 H new ATOM 0 HG22 THR A 30 5.754 -8.385 2.300 1.00 50.00 H new ATOM 0 HG23 THR A 30 5.191 -10.061 2.100 1.00 50.00 H new ATOM 440 N VAL A 31 2.026 -6.697 -0.169 1.00 50.00 N ATOM 441 CA VAL A 31 1.275 -6.057 -1.278 1.00 50.00 C ATOM 442 C VAL A 31 1.922 -4.719 -1.637 1.00 50.00 C ATOM 443 O VAL A 31 2.275 -3.940 -0.776 1.00 50.00 O ATOM 444 CB VAL A 31 -0.140 -5.849 -0.736 1.00 50.00 C ATOM 445 CG1 VAL A 31 -1.054 -5.376 -1.867 1.00 50.00 C ATOM 446 CG2 VAL A 31 -0.666 -7.170 -0.173 1.00 50.00 C ATOM 0 H VAL A 31 1.951 -6.227 0.733 1.00 50.00 H new ATOM 0 HA VAL A 31 1.271 -6.663 -2.184 1.00 50.00 H new ATOM 0 HB VAL A 31 -0.122 -5.098 0.054 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -2.063 -5.228 -1.482 1.00 50.00 H new ATOM 0 HG12 VAL A 31 -0.677 -4.436 -2.270 1.00 50.00 H new ATOM 0 HG13 VAL A 31 -1.074 -6.127 -2.657 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -1.675 -7.025 0.214 1.00 50.00 H new ATOM 0 HG22 VAL A 31 -0.685 -7.920 -0.963 1.00 50.00 H new ATOM 0 HG23 VAL A 31 -0.014 -7.508 0.632 1.00 50.00 H new ATOM 456 N VAL A 32 2.088 -4.448 -2.901 1.00 50.00 N ATOM 457 CA VAL A 32 2.724 -3.162 -3.304 1.00 50.00 C ATOM 458 C VAL A 32 1.723 -2.280 -4.057 1.00 50.00 C ATOM 459 O VAL A 32 0.987 -2.742 -4.907 1.00 50.00 O ATOM 460 CB VAL A 32 3.885 -3.558 -4.218 1.00 50.00 C ATOM 461 CG1 VAL A 32 4.989 -2.503 -4.121 1.00 50.00 C ATOM 462 CG2 VAL A 32 4.445 -4.916 -3.785 1.00 50.00 C ATOM 0 H VAL A 32 1.812 -5.058 -3.670 1.00 50.00 H new ATOM 0 HA VAL A 32 3.062 -2.587 -2.442 1.00 50.00 H new ATOM 0 HB VAL A 32 3.528 -3.625 -5.246 1.00 50.00 H new ATOM 0 HG11 VAL A 32 5.818 -2.783 -4.771 1.00 50.00 H new ATOM 0 HG12 VAL A 32 4.595 -1.535 -4.431 1.00 50.00 H new ATOM 0 HG13 VAL A 32 5.341 -2.439 -3.092 1.00 50.00 H new ATOM 0 HG21 VAL A 32 5.272 -5.194 -4.439 1.00 50.00 H new ATOM 0 HG22 VAL A 32 4.801 -4.852 -2.757 1.00 50.00 H new ATOM 0 HG23 VAL A 32 3.661 -5.670 -3.851 1.00 50.00 H new ATOM 472 N ILE A 33 1.698 -1.013 -3.751 1.00 50.00 N ATOM 473 CA ILE A 33 0.755 -0.089 -4.443 1.00 50.00 C ATOM 474 C ILE A 33 1.444 1.258 -4.685 1.00 50.00 C ATOM 475 O ILE A 33 2.081 1.804 -3.806 1.00 50.00 O ATOM 476 CB ILE A 33 -0.429 0.060 -3.484 1.00 50.00 C ATOM 477 CG1 ILE A 33 -1.678 0.452 -4.277 1.00 50.00 C ATOM 478 CG2 ILE A 33 -0.122 1.139 -2.442 1.00 50.00 C ATOM 479 CD1 ILE A 33 -1.591 1.926 -4.678 1.00 50.00 C ATOM 0 H ILE A 33 2.293 -0.575 -3.048 1.00 50.00 H new ATOM 0 HA ILE A 33 0.433 -0.461 -5.416 1.00 50.00 H new ATOM 0 HB ILE A 33 -0.602 -0.888 -2.975 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -1.767 -0.172 -5.166 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -2.571 0.280 -3.676 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -0.968 1.240 -1.763 1.00 50.00 H new ATOM 0 HG22 ILE A 33 0.766 0.856 -1.876 1.00 50.00 H new ATOM 0 HG23 ILE A 33 0.056 2.090 -2.944 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -2.481 2.203 -5.243 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -1.523 2.543 -3.782 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -0.707 2.084 -5.295 1.00 50.00 H new ATOM 491 N GLU A 34 1.338 1.790 -5.871 1.00 50.00 N ATOM 492 CA GLU A 34 2.008 3.092 -6.159 1.00 50.00 C ATOM 493 C GLU A 34 0.983 4.206 -6.385 1.00 50.00 C ATOM 494 O GLU A 34 0.205 4.172 -7.318 1.00 50.00 O ATOM 495 CB GLU A 34 2.811 2.841 -7.436 1.00 50.00 C ATOM 496 CG GLU A 34 3.642 4.081 -7.768 1.00 50.00 C ATOM 497 CD GLU A 34 4.372 3.866 -9.096 1.00 50.00 C ATOM 498 OE1 GLU A 34 5.375 3.173 -9.092 1.00 50.00 O ATOM 499 OE2 GLU A 34 3.914 4.399 -10.094 1.00 50.00 O ATOM 0 H GLU A 34 0.820 1.384 -6.650 1.00 50.00 H new ATOM 0 HA GLU A 34 2.633 3.417 -5.327 1.00 50.00 H new ATOM 0 HB2 GLU A 34 3.463 1.978 -7.304 1.00 50.00 H new ATOM 0 HB3 GLU A 34 2.138 2.609 -8.262 1.00 50.00 H new ATOM 0 HG2 GLU A 34 2.997 4.957 -7.833 1.00 50.00 H new ATOM 0 HG3 GLU A 34 4.362 4.273 -6.972 1.00 50.00 H new ATOM 506 N LEU A 35 0.995 5.207 -5.546 1.00 50.00 N ATOM 507 CA LEU A 35 0.042 6.343 -5.714 1.00 50.00 C ATOM 508 C LEU A 35 0.824 7.656 -5.685 1.00 50.00 C ATOM 509 O LEU A 35 1.787 7.790 -4.961 1.00 50.00 O ATOM 510 CB LEU A 35 -0.919 6.267 -4.525 1.00 50.00 C ATOM 511 CG LEU A 35 -1.093 4.813 -4.092 1.00 50.00 C ATOM 512 CD1 LEU A 35 0.061 4.420 -3.170 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.419 4.658 -3.344 1.00 50.00 C ATOM 0 H LEU A 35 1.626 5.287 -4.749 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.501 6.293 -6.658 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.533 6.859 -3.695 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -1.885 6.693 -4.798 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.096 4.168 -4.971 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -0.059 3.382 -2.858 1.00 50.00 H new ATOM 0 HD12 LEU A 35 1.006 4.532 -3.702 1.00 50.00 H new ATOM 0 HD13 LEU A 35 0.061 5.065 -2.291 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.543 3.620 -3.035 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.418 5.301 -2.464 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.242 4.942 -4.000 1.00 50.00 H new ATOM 525 N SER A 36 0.430 8.624 -6.463 1.00 50.00 N ATOM 526 CA SER A 36 1.169 9.909 -6.471 1.00 50.00 C ATOM 527 C SER A 36 0.501 10.906 -5.533 1.00 50.00 C ATOM 528 O SER A 36 -0.701 11.088 -5.562 1.00 50.00 O ATOM 529 CB SER A 36 1.102 10.400 -7.918 1.00 50.00 C ATOM 530 OG SER A 36 0.173 9.605 -8.643 1.00 50.00 O ATOM 0 H SER A 36 -0.372 8.578 -7.092 1.00 50.00 H new ATOM 0 HA SER A 36 2.198 9.795 -6.130 1.00 50.00 H new ATOM 0 HB2 SER A 36 0.800 11.447 -7.945 1.00 50.00 H new ATOM 0 HB3 SER A 36 2.087 10.340 -8.380 1.00 50.00 H new ATOM 0 HG SER A 36 0.127 9.919 -9.570 1.00 50.00 H new ATOM 536 N TYR A 37 1.263 11.557 -4.700 1.00 50.00 N ATOM 537 CA TYR A 37 0.649 12.540 -3.771 1.00 50.00 C ATOM 538 C TYR A 37 0.731 13.944 -4.376 1.00 50.00 C ATOM 539 O TYR A 37 1.754 14.597 -4.320 1.00 50.00 O ATOM 540 CB TYR A 37 1.476 12.454 -2.488 1.00 50.00 C ATOM 541 CG TYR A 37 1.199 13.663 -1.627 1.00 50.00 C ATOM 542 CD1 TYR A 37 -0.121 14.044 -1.358 1.00 50.00 C ATOM 543 CD2 TYR A 37 2.263 14.404 -1.098 1.00 50.00 C ATOM 544 CE1 TYR A 37 -0.377 15.166 -0.559 1.00 50.00 C ATOM 545 CE2 TYR A 37 2.006 15.525 -0.300 1.00 50.00 C ATOM 546 CZ TYR A 37 0.686 15.906 -0.031 1.00 50.00 C ATOM 547 OH TYR A 37 0.434 17.011 0.757 1.00 49.57 O ATOM 0 H TYR A 37 2.275 11.452 -4.623 1.00 50.00 H new ATOM 0 HA TYR A 37 -0.404 12.332 -3.581 1.00 50.00 H new ATOM 0 HB2 TYR A 37 1.228 11.543 -1.944 1.00 50.00 H new ATOM 0 HB3 TYR A 37 2.538 12.402 -2.730 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -0.942 13.473 -1.766 1.00 50.00 H new ATOM 0 HD2 TYR A 37 3.281 14.111 -1.306 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -1.395 15.460 -0.351 1.00 50.00 H new ATOM 0 HE2 TYR A 37 2.827 16.096 0.108 1.00 50.00 H new ATOM 0 HH TYR A 37 1.277 17.350 1.124 1.00 49.57 H new ATOM 557 N SER A 38 -0.338 14.411 -4.961 1.00 50.00 N ATOM 558 CA SER A 38 -0.320 15.762 -5.574 1.00 50.00 C ATOM 559 C SER A 38 -0.884 16.791 -4.596 1.00 50.00 C ATOM 560 O SER A 38 -1.959 17.325 -4.790 1.00 50.00 O ATOM 561 CB SER A 38 -1.208 15.648 -6.812 1.00 50.00 C ATOM 562 OG SER A 38 -1.622 16.947 -7.213 1.00 50.00 O ATOM 0 H SER A 38 -1.224 13.911 -5.039 1.00 50.00 H new ATOM 0 HA SER A 38 0.688 16.088 -5.829 1.00 50.00 H new ATOM 0 HB2 SER A 38 -0.663 15.161 -7.621 1.00 50.00 H new ATOM 0 HB3 SER A 38 -2.077 15.027 -6.594 1.00 50.00 H new ATOM 0 HG SER A 38 -2.249 17.309 -6.553 1.00 50.00 H new ATOM 568 N GLY A 39 -0.168 17.074 -3.544 1.00 99.99 N ATOM 569 CA GLY A 39 -0.661 18.067 -2.552 1.00 99.99 C ATOM 570 C GLY A 39 0.342 19.215 -2.437 1.00 99.99 C ATOM 571 O GLY A 39 1.481 19.022 -2.057 1.00 99.99 O ATOM 0 H GLY A 39 0.739 16.659 -3.329 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -1.634 18.450 -2.858 1.00 99.99 H new ATOM 0 HA3 GLY A 39 -0.797 17.590 -1.581 1.00 99.99 H new ATOM 575 N SER A 40 -0.069 20.410 -2.765 1.00 99.99 N ATOM 576 CA SER A 40 0.863 21.571 -2.678 1.00 99.99 C ATOM 577 C SER A 40 0.869 22.146 -1.259 1.00 99.99 C ATOM 578 O SER A 40 1.227 23.287 -1.044 1.00 99.99 O ATOM 579 CB SER A 40 0.314 22.595 -3.669 1.00 99.99 C ATOM 580 OG SER A 40 -1.107 22.585 -3.617 1.00 99.99 O ATOM 0 H SER A 40 -1.010 20.633 -3.090 1.00 99.99 H new ATOM 0 HA SER A 40 1.891 21.290 -2.908 1.00 99.99 H new ATOM 0 HB2 SER A 40 0.691 23.589 -3.429 1.00 99.99 H new ATOM 0 HB3 SER A 40 0.654 22.360 -4.678 1.00 99.99 H new ATOM 0 HG SER A 40 -1.462 23.243 -4.251 1.00 99.99 H new ATOM 586 N ASP A 41 0.478 21.367 -0.288 1.00 99.99 N ATOM 587 CA ASP A 41 0.468 21.873 1.113 1.00 99.99 C ATOM 588 C ASP A 41 1.758 21.464 1.827 1.00 99.99 C ATOM 589 O ASP A 41 1.969 21.780 2.982 1.00 99.99 O ATOM 590 CB ASP A 41 -0.744 21.208 1.766 1.00 99.99 C ATOM 591 CG ASP A 41 -1.804 22.267 2.071 1.00 99.99 C ATOM 592 OD1 ASP A 41 -2.623 22.525 1.204 1.00 99.99 O ATOM 593 OD2 ASP A 41 -1.778 22.803 3.167 1.00 99.99 O ATOM 0 H ASP A 41 0.165 20.403 -0.404 1.00 99.99 H new ATOM 0 HA ASP A 41 0.408 22.960 1.162 1.00 99.99 H new ATOM 0 HB2 ASP A 41 -1.155 20.447 1.103 1.00 99.99 H new ATOM 0 HB3 ASP A 41 -0.444 20.703 2.684 1.00 99.99 H new ATOM 598 N GLY A 42 2.624 20.763 1.148 1.00 99.99 N ATOM 599 CA GLY A 42 3.900 20.333 1.785 1.00 99.99 C ATOM 600 C GLY A 42 3.769 18.886 2.260 1.00 99.99 C ATOM 601 O GLY A 42 2.789 18.226 1.977 1.00 99.99 O ATOM 0 H GLY A 42 2.503 20.469 0.179 1.00 99.99 H new ATOM 0 HA2 GLY A 42 4.722 20.421 1.074 1.00 99.99 H new ATOM 0 HA3 GLY A 42 4.136 20.984 2.627 1.00 99.99 H new ATOM 605 N PRO A 43 4.768 18.438 2.972 1.00 99.99 N ATOM 606 CA PRO A 43 4.766 17.052 3.498 1.00 99.99 C ATOM 607 C PRO A 43 3.731 16.913 4.617 1.00 99.99 C ATOM 608 O PRO A 43 3.397 17.866 5.292 1.00 99.99 O ATOM 609 CB PRO A 43 6.184 16.867 4.029 1.00 99.99 C ATOM 610 CG PRO A 43 6.670 18.249 4.324 1.00 99.99 C ATOM 611 CD PRO A 43 5.979 19.173 3.354 1.00 99.99 C ATOM 0 HA PRO A 43 4.503 16.305 2.749 1.00 99.99 H new ATOM 0 HB2 PRO A 43 6.192 16.246 4.925 1.00 99.99 H new ATOM 0 HB3 PRO A 43 6.820 16.374 3.294 1.00 99.99 H new ATOM 0 HG2 PRO A 43 6.441 18.528 5.353 1.00 99.99 H new ATOM 0 HG3 PRO A 43 7.752 18.310 4.211 1.00 99.99 H new ATOM 0 HD2 PRO A 43 5.737 20.130 3.816 1.00 99.99 H new ATOM 0 HD3 PRO A 43 6.607 19.387 2.489 1.00 99.99 H new ATOM 619 N CYS A 44 3.211 15.732 4.810 1.00 50.00 N ATOM 620 CA CYS A 44 2.187 15.532 5.875 1.00 50.00 C ATOM 621 C CYS A 44 1.920 14.037 6.067 1.00 50.00 C ATOM 622 O CYS A 44 2.219 13.230 5.209 1.00 50.00 O ATOM 623 CB CYS A 44 0.935 16.222 5.341 1.00 50.00 C ATOM 624 SG CYS A 44 0.212 17.283 6.620 1.00 50.00 S ATOM 0 H CYS A 44 3.451 14.896 4.276 1.00 50.00 H new ATOM 0 HA CYS A 44 2.503 15.932 6.838 1.00 50.00 H new ATOM 0 HB2 CYS A 44 1.185 16.817 4.463 1.00 50.00 H new ATOM 0 HB3 CYS A 44 0.207 15.476 5.023 1.00 50.00 H new ATOM 629 N LYS A 45 1.347 13.661 7.177 1.00 50.00 N ATOM 630 CA LYS A 45 1.054 12.217 7.403 1.00 50.00 C ATOM 631 C LYS A 45 -0.186 11.813 6.600 1.00 50.00 C ATOM 632 O LYS A 45 -1.213 12.460 6.662 1.00 50.00 O ATOM 633 CB LYS A 45 0.789 12.083 8.904 1.00 50.00 C ATOM 634 CG LYS A 45 1.754 12.975 9.691 1.00 50.00 C ATOM 635 CD LYS A 45 3.180 12.794 9.162 1.00 50.00 C ATOM 636 CE LYS A 45 4.012 14.033 9.504 1.00 50.00 C ATOM 637 NZ LYS A 45 5.150 13.520 10.316 1.00 50.00 N ATOM 0 H LYS A 45 1.070 14.287 7.933 1.00 50.00 H new ATOM 0 HA LYS A 45 1.874 11.573 7.085 1.00 50.00 H new ATOM 0 HB2 LYS A 45 -0.241 12.364 9.126 1.00 50.00 H new ATOM 0 HB3 LYS A 45 0.909 11.044 9.211 1.00 50.00 H new ATOM 0 HG2 LYS A 45 1.453 14.019 9.601 1.00 50.00 H new ATOM 0 HG3 LYS A 45 1.715 12.722 10.750 1.00 50.00 H new ATOM 0 HD2 LYS A 45 3.633 11.906 9.603 1.00 50.00 H new ATOM 0 HD3 LYS A 45 3.162 12.641 8.083 1.00 50.00 H new ATOM 0 HE2 LYS A 45 4.364 14.533 8.602 1.00 50.00 H new ATOM 0 HE3 LYS A 45 3.424 14.761 10.063 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 5.766 14.312 10.589 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 4.784 13.055 11.171 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 5.695 12.834 9.755 1.00 50.00 H new ATOM 651 N ILE A 46 -0.098 10.757 5.840 1.00 50.00 N ATOM 652 CA ILE A 46 -1.274 10.324 5.030 1.00 50.00 C ATOM 653 C ILE A 46 -2.220 9.467 5.878 1.00 50.00 C ATOM 654 O ILE A 46 -1.883 8.367 6.266 1.00 50.00 O ATOM 655 CB ILE A 46 -0.681 9.508 3.879 1.00 50.00 C ATOM 656 CG1 ILE A 46 0.543 10.235 3.314 1.00 50.00 C ATOM 657 CG2 ILE A 46 -1.726 9.350 2.773 1.00 50.00 C ATOM 658 CD1 ILE A 46 1.091 9.457 2.116 1.00 50.00 C ATOM 0 H ILE A 46 0.734 10.176 5.744 1.00 50.00 H new ATOM 0 HA ILE A 46 -1.861 11.168 4.668 1.00 50.00 H new ATOM 0 HB ILE A 46 -0.386 8.526 4.248 1.00 50.00 H new ATOM 0 HG12 ILE A 46 0.271 11.246 3.011 1.00 50.00 H new ATOM 0 HG13 ILE A 46 1.310 10.328 4.082 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -1.303 8.769 1.953 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -2.601 8.835 3.170 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -2.020 10.334 2.407 1.00 50.00 H new ATOM 0 HD11 ILE A 46 1.962 9.974 1.714 1.00 50.00 H new ATOM 0 HD12 ILE A 46 1.379 8.455 2.434 1.00 50.00 H new ATOM 0 HD13 ILE A 46 0.323 9.387 1.346 1.00 50.00 H new ATOM 670 N PRO A 47 -3.380 10.010 6.138 1.00 50.00 N ATOM 671 CA PRO A 47 -4.395 9.298 6.950 1.00 50.00 C ATOM 672 C PRO A 47 -5.093 8.227 6.108 1.00 50.00 C ATOM 673 O PRO A 47 -6.224 8.389 5.693 1.00 50.00 O ATOM 674 CB PRO A 47 -5.377 10.399 7.340 1.00 50.00 C ATOM 675 CG PRO A 47 -5.237 11.446 6.279 1.00 50.00 C ATOM 676 CD PRO A 47 -3.848 11.329 5.701 1.00 50.00 C ATOM 0 HA PRO A 47 -3.971 8.784 7.812 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -6.397 10.018 7.385 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -5.144 10.803 8.325 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -5.988 11.306 5.502 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -5.394 12.440 6.699 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -3.863 11.405 4.614 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -3.197 12.123 6.067 1.00 50.00 H new ATOM 684 N ILE A 48 -4.429 7.135 5.848 1.00 50.00 N ATOM 685 CA ILE A 48 -5.058 6.063 5.027 1.00 50.00 C ATOM 686 C ILE A 48 -5.247 4.795 5.864 1.00 50.00 C ATOM 687 O ILE A 48 -4.501 4.529 6.785 1.00 50.00 O ATOM 688 CB ILE A 48 -4.074 5.817 3.883 1.00 50.00 C ATOM 689 CG1 ILE A 48 -4.291 6.872 2.797 1.00 50.00 C ATOM 690 CG2 ILE A 48 -4.306 4.425 3.293 1.00 50.00 C ATOM 691 CD1 ILE A 48 -4.291 8.266 3.425 1.00 50.00 C ATOM 0 H ILE A 48 -3.480 6.939 6.168 1.00 50.00 H new ATOM 0 HA ILE A 48 -6.045 6.345 4.661 1.00 50.00 H new ATOM 0 HB ILE A 48 -3.054 5.882 4.261 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -3.505 6.801 2.046 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -5.237 6.693 2.286 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -3.603 4.253 2.478 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -4.155 3.672 4.067 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -5.325 4.356 2.913 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -4.446 9.015 2.648 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -5.093 8.334 4.160 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -3.334 8.444 3.915 1.00 50.00 H new ATOM 703 N VAL A 49 -6.240 4.012 5.545 1.00 50.00 N ATOM 704 CA VAL A 49 -6.479 2.761 6.319 1.00 50.00 C ATOM 705 C VAL A 49 -6.591 1.568 5.368 1.00 50.00 C ATOM 706 O VAL A 49 -7.072 1.689 4.258 1.00 50.00 O ATOM 707 CB VAL A 49 -7.805 2.992 7.043 1.00 50.00 C ATOM 708 CG1 VAL A 49 -7.699 4.242 7.915 1.00 50.00 C ATOM 709 CG2 VAL A 49 -8.921 3.180 6.013 1.00 50.00 C ATOM 0 H VAL A 49 -6.896 4.184 4.783 1.00 50.00 H new ATOM 0 HA VAL A 49 -5.667 2.542 7.013 1.00 50.00 H new ATOM 0 HB VAL A 49 -8.032 2.131 7.671 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -8.645 4.407 8.431 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -6.904 4.108 8.648 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -7.473 5.105 7.288 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -9.867 3.345 6.528 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -8.695 4.042 5.385 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -8.997 2.288 5.392 1.00 50.00 H new ATOM 719 N SER A 50 -6.155 0.416 5.797 1.00 50.00 N ATOM 720 CA SER A 50 -6.243 -0.785 4.921 1.00 50.00 C ATOM 721 C SER A 50 -7.053 -1.874 5.622 1.00 50.00 C ATOM 722 O SER A 50 -6.560 -2.567 6.487 1.00 50.00 O ATOM 723 CB SER A 50 -4.796 -1.237 4.719 1.00 50.00 C ATOM 724 OG SER A 50 -4.392 -0.942 3.389 1.00 50.00 O ATOM 0 H SER A 50 -5.742 0.255 6.716 1.00 50.00 H new ATOM 0 HA SER A 50 -6.736 -0.575 3.972 1.00 50.00 H new ATOM 0 HB2 SER A 50 -4.143 -0.732 5.430 1.00 50.00 H new ATOM 0 HB3 SER A 50 -4.707 -2.307 4.909 1.00 50.00 H new ATOM 0 HG SER A 50 -3.915 -1.712 3.014 1.00 50.00 H new ATOM 730 N VAL A 51 -8.297 -2.024 5.263 1.00 50.00 N ATOM 731 CA VAL A 51 -9.132 -3.064 5.922 1.00 50.00 C ATOM 732 C VAL A 51 -9.539 -4.139 4.914 1.00 50.00 C ATOM 733 O VAL A 51 -9.502 -3.933 3.716 1.00 50.00 O ATOM 734 CB VAL A 51 -10.362 -2.320 6.439 1.00 50.00 C ATOM 735 CG1 VAL A 51 -9.943 -1.349 7.544 1.00 50.00 C ATOM 736 CG2 VAL A 51 -11.006 -1.538 5.291 1.00 50.00 C ATOM 0 H VAL A 51 -8.769 -1.474 4.545 1.00 50.00 H new ATOM 0 HA VAL A 51 -8.596 -3.571 6.724 1.00 50.00 H new ATOM 0 HB VAL A 51 -11.079 -3.037 6.837 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -10.820 -0.818 7.913 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -9.484 -1.905 8.362 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -9.226 -0.632 7.145 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -11.884 -1.007 5.660 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -10.289 -0.821 4.892 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -11.305 -2.229 4.503 1.00 50.00 H new ATOM 746 N ALA A 52 -9.931 -5.284 5.394 1.00 50.00 N ATOM 747 CA ALA A 52 -10.350 -6.381 4.478 1.00 50.00 C ATOM 748 C ALA A 52 -11.540 -5.928 3.633 1.00 50.00 C ATOM 749 O ALA A 52 -12.183 -4.941 3.929 1.00 50.00 O ATOM 750 CB ALA A 52 -10.752 -7.534 5.399 1.00 50.00 C ATOM 0 H ALA A 52 -9.980 -5.509 6.388 1.00 50.00 H new ATOM 0 HA ALA A 52 -9.559 -6.672 3.787 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -11.075 -8.384 4.798 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -9.898 -7.825 6.011 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -11.570 -7.215 6.045 1.00 50.00 H new ATOM 756 N SER A 53 -11.837 -6.636 2.580 1.00 50.00 N ATOM 757 CA SER A 53 -12.989 -6.238 1.726 1.00 50.00 C ATOM 758 C SER A 53 -14.295 -6.408 2.505 1.00 50.00 C ATOM 759 O SER A 53 -14.623 -7.490 2.947 1.00 50.00 O ATOM 760 CB SER A 53 -12.947 -7.193 0.533 1.00 50.00 C ATOM 761 OG SER A 53 -14.233 -7.246 -0.070 1.00 50.00 O ATOM 0 H SER A 53 -11.334 -7.469 2.275 1.00 50.00 H new ATOM 0 HA SER A 53 -12.935 -5.196 1.412 1.00 50.00 H new ATOM 0 HB2 SER A 53 -12.206 -6.856 -0.192 1.00 50.00 H new ATOM 0 HB3 SER A 53 -12.644 -8.188 0.859 1.00 50.00 H new ATOM 0 HG SER A 53 -14.436 -6.381 -0.484 1.00 50.00 H new ATOM 767 N LEU A 54 -15.036 -5.341 2.678 1.00 50.00 N ATOM 768 CA LEU A 54 -16.329 -5.424 3.431 1.00 50.00 C ATOM 769 C LEU A 54 -16.094 -5.240 4.934 1.00 50.00 C ATOM 770 O LEU A 54 -16.833 -5.751 5.752 1.00 50.00 O ATOM 771 CB LEU A 54 -16.896 -6.818 3.144 1.00 50.00 C ATOM 772 CG LEU A 54 -18.415 -6.798 3.316 1.00 50.00 C ATOM 773 CD1 LEU A 54 -19.050 -6.011 2.168 1.00 50.00 C ATOM 774 CD2 LEU A 54 -18.945 -8.235 3.301 1.00 50.00 C ATOM 0 H LEU A 54 -14.801 -4.412 2.329 1.00 50.00 H new ATOM 0 HA LEU A 54 -17.019 -4.640 3.120 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -16.639 -7.125 2.130 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -16.453 -7.549 3.821 1.00 50.00 H new ATOM 0 HG LEU A 54 -18.668 -6.323 4.264 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -20.133 -5.997 2.291 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -18.671 -4.989 2.174 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -18.799 -6.485 1.219 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -20.028 -8.225 3.423 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -18.692 -8.706 2.351 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -18.493 -8.798 4.118 1.00 50.00 H new ATOM 786 N ASN A 55 -15.082 -4.504 5.306 1.00 50.00 N ATOM 787 CA ASN A 55 -14.821 -4.281 6.757 1.00 50.00 C ATOM 788 C ASN A 55 -14.295 -2.862 6.987 1.00 50.00 C ATOM 789 O ASN A 55 -13.104 -2.634 7.054 1.00 50.00 O ATOM 790 CB ASN A 55 -13.760 -5.314 7.136 1.00 50.00 C ATOM 791 CG ASN A 55 -14.394 -6.705 7.178 1.00 50.00 C ATOM 792 OD1 ASN A 55 -15.210 -6.988 8.033 1.00 50.00 O ATOM 793 ND2 ASN A 55 -14.052 -7.593 6.284 1.00 50.00 N ATOM 0 H ASN A 55 -14.427 -4.049 4.671 1.00 50.00 H new ATOM 0 HA ASN A 55 -15.724 -4.387 7.359 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -12.945 -5.296 6.413 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -13.330 -5.069 8.107 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -14.470 -8.523 6.304 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -13.367 -7.356 5.566 1.00 50.00 H new ATOM 800 N ASP A 56 -15.175 -1.905 7.111 1.00 50.00 N ATOM 801 CA ASP A 56 -14.723 -0.503 7.338 1.00 50.00 C ATOM 802 C ASP A 56 -14.866 -0.137 8.817 1.00 50.00 C ATOM 803 O ASP A 56 -14.659 0.995 9.209 1.00 50.00 O ATOM 804 CB ASP A 56 -15.651 0.357 6.479 1.00 50.00 C ATOM 805 CG ASP A 56 -14.816 1.309 5.620 1.00 50.00 C ATOM 806 OD1 ASP A 56 -14.435 0.913 4.532 1.00 50.00 O ATOM 807 OD2 ASP A 56 -14.571 2.417 6.067 1.00 50.00 O ATOM 0 H ASP A 56 -16.186 -2.034 7.065 1.00 50.00 H new ATOM 0 HA ASP A 56 -13.675 -0.358 7.074 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -16.267 -0.278 5.843 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -16.330 0.925 7.115 1.00 50.00 H new ATOM 812 N MET A 57 -15.216 -1.085 9.641 1.00 50.00 N ATOM 813 CA MET A 57 -15.369 -0.790 11.094 1.00 50.00 C ATOM 814 C MET A 57 -14.217 -1.416 11.881 1.00 50.00 C ATOM 815 O MET A 57 -13.986 -1.094 13.030 1.00 50.00 O ATOM 816 CB MET A 57 -16.701 -1.428 11.493 1.00 50.00 C ATOM 817 CG MET A 57 -17.839 -0.434 11.250 1.00 50.00 C ATOM 818 SD MET A 57 -18.038 0.625 12.704 1.00 50.00 S ATOM 819 CE MET A 57 -17.374 2.141 11.973 1.00 50.00 C ATOM 0 H MET A 57 -15.403 -2.051 9.372 1.00 50.00 H new ATOM 0 HA MET A 57 -15.354 0.280 11.302 1.00 50.00 H new ATOM 0 HB2 MET A 57 -16.868 -2.337 10.915 1.00 50.00 H new ATOM 0 HB3 MET A 57 -16.676 -1.719 12.543 1.00 50.00 H new ATOM 0 HG2 MET A 57 -17.623 0.174 10.371 1.00 50.00 H new ATOM 0 HG3 MET A 57 -18.767 -0.969 11.047 1.00 50.00 H new ATOM 0 HE1 MET A 57 -17.743 3.004 12.527 1.00 50.00 H new ATOM 0 HE2 MET A 57 -16.285 2.120 12.018 1.00 50.00 H new ATOM 0 HE3 MET A 57 -17.693 2.214 10.933 1.00 50.00 H new ATOM 829 N THR A 58 -13.492 -2.309 11.268 1.00 50.00 N ATOM 830 CA THR A 58 -12.352 -2.960 11.976 1.00 50.00 C ATOM 831 C THR A 58 -11.111 -2.963 11.080 1.00 50.00 C ATOM 832 O THR A 58 -11.124 -3.528 10.004 1.00 50.00 O ATOM 833 CB THR A 58 -12.821 -4.390 12.249 1.00 50.00 C ATOM 834 OG1 THR A 58 -13.309 -4.964 11.045 1.00 50.00 O ATOM 835 CG2 THR A 58 -13.933 -4.373 13.297 1.00 50.00 C ATOM 0 H THR A 58 -13.639 -2.617 10.307 1.00 50.00 H new ATOM 0 HA THR A 58 -12.081 -2.439 12.894 1.00 50.00 H new ATOM 0 HB THR A 58 -11.985 -4.982 12.621 1.00 50.00 H new ATOM 0 HG1 THR A 58 -12.728 -4.704 10.300 1.00 50.00 H new ATOM 0 HG21 THR A 58 -14.266 -5.393 13.491 1.00 50.00 H new ATOM 0 HG22 THR A 58 -13.556 -3.933 14.220 1.00 50.00 H new ATOM 0 HG23 THR A 58 -14.771 -3.781 12.929 1.00 50.00 H new ATOM 843 N PRO A 59 -10.075 -2.330 11.558 1.00 50.00 N ATOM 844 CA PRO A 59 -8.809 -2.257 10.791 1.00 50.00 C ATOM 845 C PRO A 59 -8.102 -3.615 10.805 1.00 50.00 C ATOM 846 O PRO A 59 -7.849 -4.185 11.849 1.00 50.00 O ATOM 847 CB PRO A 59 -7.995 -1.209 11.543 1.00 50.00 C ATOM 848 CG PRO A 59 -8.537 -1.221 12.937 1.00 50.00 C ATOM 849 CD PRO A 59 -9.986 -1.628 12.844 1.00 50.00 C ATOM 0 HA PRO A 59 -8.954 -2.001 9.742 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -6.933 -1.452 11.531 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -8.102 -0.225 11.087 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -7.980 -1.919 13.561 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -8.442 -0.237 13.396 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -10.273 -2.275 13.673 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -10.647 -0.762 12.873 1.00 50.00 H new ATOM 857 N VAL A 60 -7.780 -4.140 9.654 1.00 50.00 N ATOM 858 CA VAL A 60 -7.088 -5.461 9.604 1.00 50.00 C ATOM 859 C VAL A 60 -5.876 -5.382 8.677 1.00 50.00 C ATOM 860 O VAL A 60 -4.863 -6.013 8.901 1.00 50.00 O ATOM 861 CB VAL A 60 -8.126 -6.439 9.054 1.00 50.00 C ATOM 862 CG1 VAL A 60 -8.212 -6.297 7.533 1.00 50.00 C ATOM 863 CG2 VAL A 60 -7.715 -7.870 9.406 1.00 50.00 C ATOM 0 H VAL A 60 -7.966 -3.712 8.747 1.00 50.00 H new ATOM 0 HA VAL A 60 -6.721 -5.773 10.582 1.00 50.00 H new ATOM 0 HB VAL A 60 -9.098 -6.218 9.495 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -8.953 -6.995 7.144 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -8.505 -5.278 7.279 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -7.240 -6.516 7.092 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -8.455 -8.568 9.014 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -6.742 -8.088 8.966 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -7.655 -7.975 10.489 1.00 50.00 H new ATOM 873 N GLY A 61 -5.976 -4.600 7.645 1.00 50.00 N ATOM 874 CA GLY A 61 -4.835 -4.460 6.699 1.00 50.00 C ATOM 875 C GLY A 61 -3.729 -3.655 7.381 1.00 50.00 C ATOM 876 O GLY A 61 -3.995 -2.744 8.140 1.00 50.00 O ATOM 0 H GLY A 61 -6.802 -4.048 7.412 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -4.463 -5.442 6.408 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -5.160 -3.959 5.787 1.00 50.00 H new ATOM 880 N ARG A 62 -2.492 -3.987 7.136 1.00 50.00 N ATOM 881 CA ARG A 62 -1.383 -3.237 7.794 1.00 50.00 C ATOM 882 C ARG A 62 -0.384 -2.720 6.754 1.00 50.00 C ATOM 883 O ARG A 62 -0.270 -3.252 5.668 1.00 50.00 O ATOM 884 CB ARG A 62 -0.714 -4.256 8.719 1.00 50.00 C ATOM 885 CG ARG A 62 -1.779 -4.954 9.568 1.00 50.00 C ATOM 886 CD ARG A 62 -1.668 -4.479 11.019 1.00 50.00 C ATOM 887 NE ARG A 62 -2.250 -5.584 11.831 1.00 50.00 N ATOM 888 CZ ARG A 62 -3.085 -5.314 12.797 1.00 50.00 C ATOM 889 NH1 ARG A 62 -4.277 -4.863 12.523 1.00 50.00 N ATOM 890 NH2 ARG A 62 -2.726 -5.496 14.039 1.00 50.00 N ATOM 0 H ARG A 62 -2.201 -4.740 6.513 1.00 50.00 H new ATOM 0 HA ARG A 62 -1.746 -2.364 8.336 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -0.164 -4.991 8.131 1.00 50.00 H new ATOM 0 HB3 ARG A 62 0.010 -3.757 9.363 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -2.772 -4.734 9.177 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -1.649 -6.035 9.517 1.00 50.00 H new ATOM 0 HD2 ARG A 62 -0.630 -4.291 11.295 1.00 50.00 H new ATOM 0 HD3 ARG A 62 -2.213 -3.547 11.172 1.00 50.00 H new ATOM 0 HE ARG A 62 -1.996 -6.552 11.632 1.00 50.00 H new ATOM 0 HH11 ARG A 62 -4.558 -4.721 11.553 1.00 50.00 H new ATOM 0 HH12 ARG A 62 -4.929 -4.652 13.279 1.00 50.00 H new ATOM 0 HH21 ARG A 62 -1.793 -5.849 14.254 1.00 50.00 H new ATOM 0 HH22 ARG A 62 -3.378 -5.285 14.794 1.00 50.00 H new ATOM 904 N LEU A 63 0.342 -1.688 7.085 1.00 50.00 N ATOM 905 CA LEU A 63 1.339 -1.132 6.125 1.00 50.00 C ATOM 906 C LEU A 63 2.717 -1.748 6.388 1.00 50.00 C ATOM 907 O LEU A 63 3.189 -1.776 7.508 1.00 50.00 O ATOM 908 CB LEU A 63 1.362 0.372 6.405 1.00 50.00 C ATOM 909 CG LEU A 63 -0.072 0.907 6.442 1.00 50.00 C ATOM 910 CD1 LEU A 63 -0.421 1.337 7.868 1.00 50.00 C ATOM 911 CD2 LEU A 63 -0.189 2.113 5.507 1.00 50.00 C ATOM 0 H LEU A 63 0.288 -1.204 7.981 1.00 50.00 H new ATOM 0 HA LEU A 63 1.083 -1.348 5.088 1.00 50.00 H new ATOM 0 HB2 LEU A 63 1.859 0.568 7.355 1.00 50.00 H new ATOM 0 HB3 LEU A 63 1.934 0.888 5.633 1.00 50.00 H new ATOM 0 HG LEU A 63 -0.759 0.125 6.119 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -1.442 1.718 7.894 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -0.336 0.481 8.537 1.00 50.00 H new ATOM 0 HD13 LEU A 63 0.266 2.119 8.191 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -1.209 2.495 5.532 1.00 50.00 H new ATOM 0 HD22 LEU A 63 0.499 2.894 5.832 1.00 50.00 H new ATOM 0 HD23 LEU A 63 0.060 1.810 4.490 1.00 50.00 H new ATOM 923 N VAL A 64 3.364 -2.246 5.370 1.00 50.00 N ATOM 924 CA VAL A 64 4.708 -2.861 5.571 1.00 50.00 C ATOM 925 C VAL A 64 5.641 -1.874 6.280 1.00 50.00 C ATOM 926 O VAL A 64 6.575 -2.261 6.954 1.00 50.00 O ATOM 927 CB VAL A 64 5.218 -3.172 4.162 1.00 50.00 C ATOM 928 CG1 VAL A 64 5.741 -1.892 3.507 1.00 50.00 C ATOM 929 CG2 VAL A 64 6.351 -4.199 4.246 1.00 50.00 C ATOM 0 H VAL A 64 3.021 -2.254 4.409 1.00 50.00 H new ATOM 0 HA VAL A 64 4.665 -3.756 6.192 1.00 50.00 H new ATOM 0 HB VAL A 64 4.401 -3.575 3.564 1.00 50.00 H new ATOM 0 HG11 VAL A 64 6.103 -2.118 2.504 1.00 50.00 H new ATOM 0 HG12 VAL A 64 4.936 -1.160 3.446 1.00 50.00 H new ATOM 0 HG13 VAL A 64 6.557 -1.485 4.104 1.00 50.00 H new ATOM 0 HG21 VAL A 64 6.715 -4.422 3.243 1.00 50.00 H new ATOM 0 HG22 VAL A 64 7.166 -3.794 4.846 1.00 50.00 H new ATOM 0 HG23 VAL A 64 5.980 -5.114 4.708 1.00 50.00 H new ATOM 939 N THR A 65 5.392 -0.601 6.134 1.00 50.00 N ATOM 940 CA THR A 65 6.264 0.410 6.801 1.00 50.00 C ATOM 941 C THR A 65 5.467 1.176 7.860 1.00 50.00 C ATOM 942 O THR A 65 4.277 0.984 8.016 1.00 50.00 O ATOM 943 CB THR A 65 6.708 1.351 5.679 1.00 50.00 C ATOM 944 OG1 THR A 65 7.784 2.156 6.138 1.00 50.00 O ATOM 945 CG2 THR A 65 5.538 2.246 5.268 1.00 50.00 C ATOM 0 H THR A 65 4.624 -0.217 5.583 1.00 50.00 H new ATOM 0 HA THR A 65 7.113 -0.046 7.310 1.00 50.00 H new ATOM 0 HB THR A 65 7.033 0.765 4.819 1.00 50.00 H new ATOM 0 HG1 THR A 65 8.071 2.758 5.420 1.00 50.00 H new ATOM 0 HG21 THR A 65 5.856 2.916 4.469 1.00 50.00 H new ATOM 0 HG22 THR A 65 4.713 1.627 4.916 1.00 50.00 H new ATOM 0 HG23 THR A 65 5.211 2.834 6.126 1.00 50.00 H new ATOM 953 N VAL A 66 6.112 2.045 8.589 1.00 50.00 N ATOM 954 CA VAL A 66 5.397 2.822 9.634 1.00 50.00 C ATOM 955 C VAL A 66 4.262 3.636 9.005 1.00 50.00 C ATOM 956 O VAL A 66 3.938 3.471 7.845 1.00 50.00 O ATOM 957 CB VAL A 66 6.463 3.744 10.221 1.00 50.00 C ATOM 958 CG1 VAL A 66 7.463 2.917 11.029 1.00 50.00 C ATOM 959 CG2 VAL A 66 7.196 4.461 9.084 1.00 50.00 C ATOM 0 H VAL A 66 7.108 2.249 8.503 1.00 50.00 H new ATOM 0 HA VAL A 66 4.941 2.186 10.392 1.00 50.00 H new ATOM 0 HB VAL A 66 5.990 4.480 10.872 1.00 50.00 H new ATOM 0 HG11 VAL A 66 8.224 3.575 11.448 1.00 50.00 H new ATOM 0 HG12 VAL A 66 6.942 2.404 11.837 1.00 50.00 H new ATOM 0 HG13 VAL A 66 7.937 2.182 10.378 1.00 50.00 H new ATOM 0 HG21 VAL A 66 7.958 5.120 9.501 1.00 50.00 H new ATOM 0 HG22 VAL A 66 7.669 3.724 8.435 1.00 50.00 H new ATOM 0 HG23 VAL A 66 6.484 5.050 8.506 1.00 50.00 H new ATOM 969 N ASN A 67 3.657 4.512 9.758 1.00 50.00 N ATOM 970 CA ASN A 67 2.544 5.333 9.199 1.00 50.00 C ATOM 971 C ASN A 67 2.947 5.902 7.835 1.00 50.00 C ATOM 972 O ASN A 67 4.074 6.309 7.641 1.00 50.00 O ATOM 973 CB ASN A 67 2.337 6.460 10.213 1.00 50.00 C ATOM 974 CG ASN A 67 0.854 6.833 10.270 1.00 50.00 C ATOM 975 OD1 ASN A 67 -0.002 5.971 10.253 1.00 50.00 O ATOM 976 ND2 ASN A 67 0.512 8.091 10.338 1.00 50.00 N ATOM 0 H ASN A 67 3.884 4.696 10.735 1.00 50.00 H new ATOM 0 HA ASN A 67 1.634 4.752 9.046 1.00 50.00 H new ATOM 0 HB2 ASN A 67 2.681 6.144 11.198 1.00 50.00 H new ATOM 0 HB3 ASN A 67 2.931 7.330 9.931 1.00 50.00 H new ATOM 0 HD21 ASN A 67 -0.474 8.350 10.377 1.00 50.00 H new ATOM 0 HD22 ASN A 67 1.231 8.815 10.352 1.00 50.00 H new ATOM 983 N PRO A 68 2.005 5.906 6.933 1.00 50.00 N ATOM 984 CA PRO A 68 2.260 6.426 5.568 1.00 50.00 C ATOM 985 C PRO A 68 2.320 7.957 5.578 1.00 50.00 C ATOM 986 O PRO A 68 1.379 8.623 5.201 1.00 50.00 O ATOM 987 CB PRO A 68 1.054 5.940 4.770 1.00 50.00 C ATOM 988 CG PRO A 68 -0.033 5.752 5.781 1.00 50.00 C ATOM 989 CD PRO A 68 0.628 5.428 7.097 1.00 50.00 C ATOM 0 HA PRO A 68 3.209 6.087 5.153 1.00 50.00 H new ATOM 0 HB2 PRO A 68 0.765 6.667 4.011 1.00 50.00 H new ATOM 0 HB3 PRO A 68 1.275 5.007 4.251 1.00 50.00 H new ATOM 0 HG2 PRO A 68 -0.638 6.655 5.867 1.00 50.00 H new ATOM 0 HG3 PRO A 68 -0.703 4.947 5.479 1.00 50.00 H new ATOM 0 HD2 PRO A 68 0.129 5.927 7.927 1.00 50.00 H new ATOM 0 HD3 PRO A 68 0.599 4.358 7.305 1.00 50.00 H new ATOM 997 N PHE A 69 3.416 8.520 6.008 1.00 50.00 N ATOM 998 CA PHE A 69 3.525 10.001 6.038 1.00 50.00 C ATOM 999 C PHE A 69 4.428 10.493 4.903 1.00 50.00 C ATOM 1000 O PHE A 69 5.479 9.939 4.649 1.00 50.00 O ATOM 1001 CB PHE A 69 4.148 10.322 7.395 1.00 50.00 C ATOM 1002 CG PHE A 69 5.333 9.419 7.644 1.00 50.00 C ATOM 1003 CD1 PHE A 69 6.541 9.647 6.973 1.00 50.00 C ATOM 1004 CD2 PHE A 69 5.226 8.357 8.548 1.00 50.00 C ATOM 1005 CE1 PHE A 69 7.639 8.811 7.205 1.00 50.00 C ATOM 1006 CE2 PHE A 69 6.323 7.521 8.782 1.00 50.00 C ATOM 1007 CZ PHE A 69 7.531 7.748 8.110 1.00 50.00 C ATOM 0 H PHE A 69 4.239 8.016 6.339 1.00 50.00 H new ATOM 0 HA PHE A 69 2.559 10.488 5.905 1.00 50.00 H new ATOM 0 HB2 PHE A 69 4.463 11.365 7.423 1.00 50.00 H new ATOM 0 HB3 PHE A 69 3.408 10.191 8.185 1.00 50.00 H new ATOM 0 HD1 PHE A 69 6.625 10.468 6.276 1.00 50.00 H new ATOM 0 HD2 PHE A 69 4.295 8.182 9.066 1.00 50.00 H new ATOM 0 HE1 PHE A 69 8.570 8.986 6.686 1.00 50.00 H new ATOM 0 HE2 PHE A 69 6.239 6.701 9.480 1.00 50.00 H new ATOM 0 HZ PHE A 69 8.379 7.103 8.290 1.00 50.00 H new ATOM 1017 N VAL A 70 4.027 11.530 4.221 1.00 50.00 N ATOM 1018 CA VAL A 70 4.865 12.058 3.109 1.00 50.00 C ATOM 1019 C VAL A 70 5.809 13.143 3.635 1.00 50.00 C ATOM 1020 O VAL A 70 5.761 14.280 3.210 1.00 50.00 O ATOM 1021 CB VAL A 70 3.866 12.648 2.115 1.00 50.00 C ATOM 1022 CG1 VAL A 70 4.620 13.285 0.948 1.00 50.00 C ATOM 1023 CG2 VAL A 70 2.958 11.534 1.587 1.00 50.00 C ATOM 0 H VAL A 70 3.156 12.034 4.386 1.00 50.00 H new ATOM 0 HA VAL A 70 5.488 11.289 2.652 1.00 50.00 H new ATOM 0 HB VAL A 70 3.263 13.407 2.613 1.00 50.00 H new ATOM 0 HG11 VAL A 70 3.906 13.705 0.240 1.00 50.00 H new ATOM 0 HG12 VAL A 70 5.269 14.077 1.323 1.00 50.00 H new ATOM 0 HG13 VAL A 70 5.224 12.528 0.448 1.00 50.00 H new ATOM 0 HG21 VAL A 70 2.244 11.952 0.877 1.00 50.00 H new ATOM 0 HG22 VAL A 70 3.563 10.777 1.089 1.00 50.00 H new ATOM 0 HG23 VAL A 70 2.419 11.079 2.418 1.00 50.00 H new ATOM 1033 N ALA A 71 6.666 12.799 4.557 1.00 50.00 N ATOM 1034 CA ALA A 71 7.612 13.811 5.110 1.00 50.00 C ATOM 1035 C ALA A 71 8.816 13.967 4.178 1.00 50.00 C ATOM 1036 O ALA A 71 9.949 13.776 4.573 1.00 50.00 O ATOM 1037 CB ALA A 71 8.051 13.247 6.462 1.00 50.00 C ATOM 0 H ALA A 71 6.753 11.862 4.951 1.00 50.00 H new ATOM 0 HA ALA A 71 7.154 14.795 5.210 1.00 50.00 H new ATOM 0 HB1 ALA A 71 8.751 13.937 6.934 1.00 50.00 H new ATOM 0 HB2 ALA A 71 7.179 13.119 7.103 1.00 50.00 H new ATOM 0 HB3 ALA A 71 8.536 12.282 6.314 1.00 50.00 H new ATOM 1043 N THR A 72 8.578 14.312 2.944 1.00 50.00 N ATOM 1044 CA THR A 72 9.707 14.479 1.985 1.00 50.00 C ATOM 1045 C THR A 72 9.430 15.652 1.043 1.00 50.00 C ATOM 1046 O THR A 72 8.336 16.179 0.995 1.00 50.00 O ATOM 1047 CB THR A 72 9.762 13.164 1.204 1.00 50.00 C ATOM 1048 OG1 THR A 72 9.000 12.177 1.885 1.00 50.00 O ATOM 1049 CG2 THR A 72 11.214 12.699 1.085 1.00 50.00 C ATOM 0 H THR A 72 7.650 14.486 2.557 1.00 50.00 H new ATOM 0 HA THR A 72 10.649 14.693 2.489 1.00 50.00 H new ATOM 0 HB THR A 72 9.349 13.317 0.207 1.00 50.00 H new ATOM 0 HG1 THR A 72 9.033 11.335 1.385 1.00 50.00 H new ATOM 0 HG21 THR A 72 11.252 11.762 0.529 1.00 50.00 H new ATOM 0 HG22 THR A 72 11.797 13.456 0.561 1.00 50.00 H new ATOM 0 HG23 THR A 72 11.630 12.546 2.081 1.00 50.00 H new ATOM 1057 N SER A 73 10.413 16.064 0.291 1.00 50.00 N ATOM 1058 CA SER A 73 10.205 17.201 -0.650 1.00 50.00 C ATOM 1059 C SER A 73 9.981 16.671 -2.070 1.00 50.00 C ATOM 1060 O SER A 73 9.693 17.420 -2.983 1.00 50.00 O ATOM 1061 CB SER A 73 11.494 18.017 -0.577 1.00 50.00 C ATOM 1062 OG SER A 73 11.172 19.402 -0.564 1.00 50.00 O ATOM 0 H SER A 73 11.351 15.663 0.287 1.00 50.00 H new ATOM 0 HA SER A 73 9.332 17.800 -0.392 1.00 50.00 H new ATOM 0 HB2 SER A 73 12.055 17.754 0.320 1.00 50.00 H new ATOM 0 HB3 SER A 73 12.132 17.788 -1.431 1.00 50.00 H new ATOM 0 HG SER A 73 11.997 19.929 -0.515 1.00 50.00 H new ATOM 1068 N SER A 74 10.114 15.387 -2.261 1.00 99.99 N ATOM 1069 CA SER A 74 9.910 14.810 -3.622 1.00 99.99 C ATOM 1070 C SER A 74 8.793 13.764 -3.599 1.00 99.99 C ATOM 1071 O SER A 74 8.583 13.048 -4.559 1.00 99.99 O ATOM 1072 CB SER A 74 11.247 14.161 -3.981 1.00 99.99 C ATOM 1073 OG SER A 74 11.103 13.436 -5.195 1.00 99.99 O ATOM 0 H SER A 74 10.355 14.712 -1.535 1.00 99.99 H new ATOM 0 HA SER A 74 9.615 15.567 -4.349 1.00 99.99 H new ATOM 0 HB2 SER A 74 12.018 14.924 -4.088 1.00 99.99 H new ATOM 0 HB3 SER A 74 11.568 13.494 -3.181 1.00 99.99 H new ATOM 0 HG SER A 74 10.151 13.322 -5.397 1.00 99.99 H new ATOM 1079 N ALA A 75 8.067 13.670 -2.518 1.00 99.99 N ATOM 1080 CA ALA A 75 6.961 12.671 -2.451 1.00 99.99 C ATOM 1081 C ALA A 75 5.722 13.214 -3.163 1.00 99.99 C ATOM 1082 O ALA A 75 4.649 12.651 -3.079 1.00 99.99 O ATOM 1083 CB ALA A 75 6.676 12.478 -0.963 1.00 99.99 C ATOM 0 H ALA A 75 8.191 14.239 -1.681 1.00 99.99 H new ATOM 0 HA ALA A 75 7.228 11.732 -2.936 1.00 99.99 H new ATOM 0 HB1 ALA A 75 5.871 11.754 -0.838 1.00 99.99 H new ATOM 0 HB2 ALA A 75 7.574 12.112 -0.465 1.00 99.99 H new ATOM 0 HB3 ALA A 75 6.380 13.430 -0.523 1.00 99.99 H new ATOM 1089 N ASN A 76 5.864 14.301 -3.870 1.00 99.99 N ATOM 1090 CA ASN A 76 4.704 14.875 -4.591 1.00 99.99 C ATOM 1091 C ASN A 76 4.553 14.178 -5.940 1.00 99.99 C ATOM 1092 O ASN A 76 3.881 14.661 -6.831 1.00 99.99 O ATOM 1093 CB ASN A 76 5.044 16.354 -4.782 1.00 99.99 C ATOM 1094 CG ASN A 76 4.996 17.068 -3.429 1.00 99.99 C ATOM 1095 OD1 ASN A 76 4.304 16.640 -2.527 1.00 99.99 O ATOM 1096 ND2 ASN A 76 5.708 18.147 -3.249 1.00 99.99 N ATOM 0 H ASN A 76 6.739 14.815 -3.977 1.00 99.99 H new ATOM 0 HA ASN A 76 3.766 14.748 -4.050 1.00 99.99 H new ATOM 0 HB2 ASN A 76 6.035 16.456 -5.224 1.00 99.99 H new ATOM 0 HB3 ASN A 76 4.338 16.814 -5.473 1.00 99.99 H new ATOM 0 HD21 ASN A 76 5.683 18.630 -2.351 1.00 99.99 H new ATOM 0 HD22 ASN A 76 6.289 18.507 -4.006 1.00 99.99 H new ATOM 1103 N SER A 77 5.177 13.042 -6.097 1.00 99.99 N ATOM 1104 CA SER A 77 5.074 12.311 -7.383 1.00 99.99 C ATOM 1105 C SER A 77 4.474 10.930 -7.133 1.00 99.99 C ATOM 1106 O SER A 77 4.037 10.625 -6.038 1.00 99.99 O ATOM 1107 CB SER A 77 6.510 12.192 -7.889 1.00 99.99 C ATOM 1108 OG SER A 77 6.521 12.324 -9.305 1.00 99.99 O ATOM 0 H SER A 77 5.754 12.591 -5.386 1.00 99.99 H new ATOM 0 HA SER A 77 4.436 12.818 -8.107 1.00 99.99 H new ATOM 0 HB2 SER A 77 7.133 12.963 -7.435 1.00 99.99 H new ATOM 0 HB3 SER A 77 6.932 11.230 -7.599 1.00 99.99 H new ATOM 0 HG SER A 77 7.441 12.250 -9.633 1.00 99.99 H new ATOM 1114 N LYS A 78 4.449 10.091 -8.129 1.00 99.99 N ATOM 1115 CA LYS A 78 3.884 8.733 -7.923 1.00 99.99 C ATOM 1116 C LYS A 78 4.730 7.994 -6.888 1.00 99.99 C ATOM 1117 O LYS A 78 5.669 7.296 -7.220 1.00 99.99 O ATOM 1118 CB LYS A 78 3.981 8.048 -9.287 1.00 99.99 C ATOM 1119 CG LYS A 78 5.400 8.208 -9.838 1.00 99.99 C ATOM 1120 CD LYS A 78 5.792 6.949 -10.615 1.00 99.99 C ATOM 1121 CE LYS A 78 6.762 7.324 -11.737 1.00 99.99 C ATOM 1122 NZ LYS A 78 5.896 7.599 -12.917 1.00 99.99 N ATOM 0 H LYS A 78 4.793 10.286 -9.069 1.00 99.99 H new ATOM 0 HA LYS A 78 2.857 8.751 -7.560 1.00 99.99 H new ATOM 0 HB2 LYS A 78 3.733 6.991 -9.194 1.00 99.99 H new ATOM 0 HB3 LYS A 78 3.260 8.485 -9.978 1.00 99.99 H new ATOM 0 HG2 LYS A 78 5.452 9.081 -10.489 1.00 99.99 H new ATOM 0 HG3 LYS A 78 6.102 8.377 -9.021 1.00 99.99 H new ATOM 0 HD2 LYS A 78 6.256 6.225 -9.945 1.00 99.99 H new ATOM 0 HD3 LYS A 78 4.904 6.474 -11.031 1.00 99.99 H new ATOM 0 HE2 LYS A 78 7.355 8.199 -11.470 1.00 99.99 H new ATOM 0 HE3 LYS A 78 7.462 6.514 -11.941 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 6.489 7.864 -13.729 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 5.348 6.747 -13.152 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 5.245 8.379 -12.695 1.00 99.99 H new ATOM 1136 N VAL A 79 4.409 8.148 -5.633 1.00 99.99 N ATOM 1137 CA VAL A 79 5.191 7.466 -4.576 1.00 99.99 C ATOM 1138 C VAL A 79 4.795 5.987 -4.514 1.00 99.99 C ATOM 1139 O VAL A 79 3.901 5.550 -5.212 1.00 99.99 O ATOM 1140 CB VAL A 79 4.801 8.187 -3.287 1.00 99.99 C ATOM 1141 CG1 VAL A 79 5.010 9.693 -3.461 1.00 99.99 C ATOM 1142 CG2 VAL A 79 3.330 7.914 -2.969 1.00 99.99 C ATOM 0 H VAL A 79 3.634 8.720 -5.297 1.00 99.99 H new ATOM 0 HA VAL A 79 6.266 7.500 -4.752 1.00 99.99 H new ATOM 0 HB VAL A 79 5.423 7.823 -2.469 1.00 99.99 H new ATOM 0 HG11 VAL A 79 4.732 10.208 -2.541 1.00 99.99 H new ATOM 0 HG12 VAL A 79 6.058 9.891 -3.685 1.00 99.99 H new ATOM 0 HG13 VAL A 79 4.389 10.054 -4.281 1.00 99.99 H new ATOM 0 HG21 VAL A 79 3.055 8.430 -2.049 1.00 99.99 H new ATOM 0 HG22 VAL A 79 2.708 8.275 -3.788 1.00 99.99 H new ATOM 0 HG23 VAL A 79 3.178 6.842 -2.844 1.00 99.99 H new ATOM 1152 N LEU A 80 5.443 5.210 -3.690 1.00 50.00 N ATOM 1153 CA LEU A 80 5.083 3.763 -3.605 1.00 50.00 C ATOM 1154 C LEU A 80 4.825 3.354 -2.153 1.00 50.00 C ATOM 1155 O LEU A 80 5.498 3.796 -1.243 1.00 50.00 O ATOM 1156 CB LEU A 80 6.294 3.014 -4.161 1.00 50.00 C ATOM 1157 CG LEU A 80 5.826 1.974 -5.178 1.00 50.00 C ATOM 1158 CD1 LEU A 80 6.973 1.641 -6.134 1.00 50.00 C ATOM 1159 CD2 LEU A 80 5.392 0.704 -4.441 1.00 50.00 C ATOM 0 H LEU A 80 6.200 5.509 -3.076 1.00 50.00 H new ATOM 0 HA LEU A 80 4.172 3.540 -4.161 1.00 50.00 H new ATOM 0 HB2 LEU A 80 6.984 3.714 -4.632 1.00 50.00 H new ATOM 0 HB3 LEU A 80 6.838 2.528 -3.351 1.00 50.00 H new ATOM 0 HG LEU A 80 4.985 2.373 -5.746 1.00 50.00 H new ATOM 0 HD11 LEU A 80 6.639 0.899 -6.859 1.00 50.00 H new ATOM 0 HD12 LEU A 80 7.285 2.545 -6.657 1.00 50.00 H new ATOM 0 HD13 LEU A 80 7.814 1.241 -5.568 1.00 50.00 H new ATOM 0 HD21 LEU A 80 5.058 -0.040 -5.164 1.00 50.00 H new ATOM 0 HD22 LEU A 80 6.234 0.306 -3.874 1.00 50.00 H new ATOM 0 HD23 LEU A 80 4.575 0.940 -3.759 1.00 50.00 H new ATOM 1171 N VAL A 81 3.857 2.507 -1.934 1.00 50.00 N ATOM 1172 CA VAL A 81 3.552 2.059 -0.545 1.00 50.00 C ATOM 1173 C VAL A 81 3.357 0.540 -0.519 1.00 50.00 C ATOM 1174 O VAL A 81 3.219 -0.094 -1.546 1.00 50.00 O ATOM 1175 CB VAL A 81 2.251 2.772 -0.161 1.00 50.00 C ATOM 1176 CG1 VAL A 81 2.393 3.366 1.240 1.00 50.00 C ATOM 1177 CG2 VAL A 81 1.957 3.896 -1.160 1.00 50.00 C ATOM 0 H VAL A 81 3.263 2.105 -2.659 1.00 50.00 H new ATOM 0 HA VAL A 81 4.359 2.295 0.149 1.00 50.00 H new ATOM 0 HB VAL A 81 1.431 2.054 -0.176 1.00 50.00 H new ATOM 0 HG11 VAL A 81 1.469 3.874 1.515 1.00 50.00 H new ATOM 0 HG12 VAL A 81 2.596 2.568 1.955 1.00 50.00 H new ATOM 0 HG13 VAL A 81 3.216 4.080 1.251 1.00 50.00 H new ATOM 0 HG21 VAL A 81 1.031 4.398 -0.881 1.00 50.00 H new ATOM 0 HG22 VAL A 81 2.776 4.615 -1.151 1.00 50.00 H new ATOM 0 HG23 VAL A 81 1.854 3.476 -2.161 1.00 50.00 H new ATOM 1187 N GLU A 82 3.348 -0.047 0.646 1.00 50.00 N ATOM 1188 CA GLU A 82 3.164 -1.527 0.734 1.00 50.00 C ATOM 1189 C GLU A 82 2.359 -1.888 1.986 1.00 50.00 C ATOM 1190 O GLU A 82 2.379 -1.180 2.973 1.00 50.00 O ATOM 1191 CB GLU A 82 4.581 -2.094 0.826 1.00 50.00 C ATOM 1192 CG GLU A 82 5.057 -2.510 -0.568 1.00 50.00 C ATOM 1193 CD GLU A 82 6.551 -2.212 -0.706 1.00 50.00 C ATOM 1194 OE1 GLU A 82 6.941 -1.092 -0.420 1.00 50.00 O ATOM 1195 OE2 GLU A 82 7.280 -3.110 -1.094 1.00 50.00 O ATOM 0 H GLU A 82 3.460 0.431 1.540 1.00 50.00 H new ATOM 0 HA GLU A 82 2.617 -1.928 -0.120 1.00 50.00 H new ATOM 0 HB2 GLU A 82 5.256 -1.348 1.245 1.00 50.00 H new ATOM 0 HB3 GLU A 82 4.598 -2.952 1.498 1.00 50.00 H new ATOM 0 HG2 GLU A 82 4.871 -3.572 -0.726 1.00 50.00 H new ATOM 0 HG3 GLU A 82 4.496 -1.971 -1.332 1.00 50.00 H new ATOM 1202 N MET A 83 1.652 -2.985 1.953 1.00 50.00 N ATOM 1203 CA MET A 83 0.849 -3.389 3.143 1.00 50.00 C ATOM 1204 C MET A 83 0.621 -4.904 3.141 1.00 50.00 C ATOM 1205 O MET A 83 0.469 -5.518 2.103 1.00 50.00 O ATOM 1206 CB MET A 83 -0.480 -2.648 2.995 1.00 50.00 C ATOM 1207 CG MET A 83 -1.039 -2.874 1.589 1.00 50.00 C ATOM 1208 SD MET A 83 -2.802 -2.465 1.570 1.00 50.00 S ATOM 1209 CE MET A 83 -3.105 -2.838 -0.174 1.00 50.00 C ATOM 0 H MET A 83 1.596 -3.618 1.155 1.00 50.00 H new ATOM 0 HA MET A 83 1.350 -3.145 4.080 1.00 50.00 H new ATOM 0 HB2 MET A 83 -1.191 -3.003 3.741 1.00 50.00 H new ATOM 0 HB3 MET A 83 -0.336 -1.582 3.173 1.00 50.00 H new ATOM 0 HG2 MET A 83 -0.503 -2.256 0.869 1.00 50.00 H new ATOM 0 HG3 MET A 83 -0.892 -3.912 1.290 1.00 50.00 H new ATOM 0 HE1 MET A 83 -3.817 -2.120 -0.581 1.00 50.00 H new ATOM 0 HE2 MET A 83 -2.168 -2.774 -0.728 1.00 50.00 H new ATOM 0 HE3 MET A 83 -3.513 -3.845 -0.265 1.00 50.00 H new ATOM 1219 N GLU A 84 0.599 -5.510 4.296 1.00 50.00 N ATOM 1220 CA GLU A 84 0.386 -6.974 4.371 1.00 50.00 C ATOM 1221 C GLU A 84 -1.021 -7.283 4.895 1.00 50.00 C ATOM 1222 O GLU A 84 -1.186 -7.680 6.030 1.00 50.00 O ATOM 1223 CB GLU A 84 1.443 -7.476 5.353 1.00 50.00 C ATOM 1224 CG GLU A 84 1.542 -6.521 6.546 1.00 50.00 C ATOM 1225 CD GLU A 84 1.792 -7.325 7.824 1.00 50.00 C ATOM 1226 OE1 GLU A 84 2.199 -8.470 7.711 1.00 50.00 O ATOM 1227 OE2 GLU A 84 1.574 -6.782 8.894 1.00 50.00 O ATOM 0 H GLU A 84 0.721 -5.046 5.196 1.00 50.00 H new ATOM 0 HA GLU A 84 0.472 -7.452 3.395 1.00 50.00 H new ATOM 0 HB2 GLU A 84 1.185 -8.477 5.698 1.00 50.00 H new ATOM 0 HB3 GLU A 84 2.409 -7.550 4.854 1.00 50.00 H new ATOM 0 HG2 GLU A 84 2.351 -5.808 6.388 1.00 50.00 H new ATOM 0 HG3 GLU A 84 0.622 -5.944 6.641 1.00 50.00 H new ATOM 1234 N PRO A 85 -1.991 -7.091 4.042 1.00 50.00 N ATOM 1235 CA PRO A 85 -3.400 -7.355 4.422 1.00 50.00 C ATOM 1236 C PRO A 85 -3.658 -8.861 4.511 1.00 50.00 C ATOM 1237 O PRO A 85 -2.849 -9.658 4.079 1.00 50.00 O ATOM 1238 CB PRO A 85 -4.201 -6.731 3.281 1.00 50.00 C ATOM 1239 CG PRO A 85 -3.270 -6.727 2.111 1.00 50.00 C ATOM 1240 CD PRO A 85 -1.870 -6.617 2.660 1.00 50.00 C ATOM 0 HA PRO A 85 -3.665 -6.945 5.397 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -5.100 -7.309 3.068 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -4.524 -5.721 3.532 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -3.384 -7.639 1.525 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -3.490 -5.892 1.446 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -1.169 -7.226 2.089 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -1.506 -5.590 2.621 1.00 50.00 H new ATOM 1248 N PRO A 86 -4.785 -9.200 5.077 1.00 50.00 N ATOM 1249 CA PRO A 86 -5.165 -10.627 5.232 1.00 50.00 C ATOM 1250 C PRO A 86 -5.531 -11.237 3.876 1.00 50.00 C ATOM 1251 O PRO A 86 -5.940 -10.547 2.963 1.00 50.00 O ATOM 1252 CB PRO A 86 -6.384 -10.573 6.149 1.00 50.00 C ATOM 1253 CG PRO A 86 -6.956 -9.206 5.947 1.00 50.00 C ATOM 1254 CD PRO A 86 -5.802 -8.294 5.619 1.00 50.00 C ATOM 0 HA PRO A 86 -4.360 -11.243 5.633 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -7.107 -11.346 5.891 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -6.103 -10.734 7.190 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -7.688 -9.209 5.139 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -7.473 -8.867 6.845 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -6.087 -7.533 4.893 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -5.441 -7.771 6.505 1.00 50.00 H new ATOM 1262 N PHE A 87 -5.388 -12.527 3.738 1.00 50.00 N ATOM 1263 CA PHE A 87 -5.729 -13.184 2.440 1.00 50.00 C ATOM 1264 C PHE A 87 -7.167 -12.844 2.042 1.00 50.00 C ATOM 1265 O PHE A 87 -8.074 -12.904 2.846 1.00 50.00 O ATOM 1266 CB PHE A 87 -5.583 -14.687 2.696 1.00 50.00 C ATOM 1267 CG PHE A 87 -4.505 -14.924 3.723 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -3.237 -14.362 3.544 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -4.778 -15.693 4.860 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -2.240 -14.569 4.501 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -3.782 -15.899 5.819 1.00 50.00 C ATOM 1272 CZ PHE A 87 -2.512 -15.338 5.640 1.00 50.00 C ATOM 0 H PHE A 87 -5.050 -13.156 4.467 1.00 50.00 H new ATOM 0 HA PHE A 87 -5.084 -12.849 1.628 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -6.529 -15.100 3.046 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -5.334 -15.202 1.768 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -3.028 -13.768 2.666 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -5.758 -16.127 4.996 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -1.260 -14.136 4.363 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -3.992 -16.491 6.698 1.00 50.00 H new ATOM 0 HZ PHE A 87 -1.742 -15.498 6.380 1.00 50.00 H new ATOM 1282 N GLY A 88 -7.379 -12.486 0.805 1.00 50.00 N ATOM 1283 CA GLY A 88 -8.758 -12.140 0.357 1.00 50.00 C ATOM 1284 C GLY A 88 -8.781 -10.696 -0.145 1.00 50.00 C ATOM 1285 O GLY A 88 -7.753 -10.078 -0.335 1.00 50.00 O ATOM 0 H GLY A 88 -6.658 -12.418 0.086 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -9.075 -12.817 -0.436 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -9.461 -12.262 1.181 1.00 50.00 H new ATOM 1289 N ASP A 89 -9.947 -10.152 -0.361 1.00 50.00 N ATOM 1290 CA ASP A 89 -10.031 -8.746 -0.851 1.00 50.00 C ATOM 1291 C ASP A 89 -9.915 -7.771 0.324 1.00 50.00 C ATOM 1292 O ASP A 89 -10.251 -8.093 1.446 1.00 50.00 O ATOM 1293 CB ASP A 89 -11.406 -8.638 -1.509 1.00 50.00 C ATOM 1294 CG ASP A 89 -11.460 -9.554 -2.732 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -10.637 -10.452 -2.812 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -12.323 -9.344 -3.568 1.00 50.00 O ATOM 0 H ASP A 89 -10.843 -10.618 -0.220 1.00 50.00 H new ATOM 0 HA ASP A 89 -9.229 -8.500 -1.546 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -12.184 -8.917 -0.798 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -11.599 -7.607 -1.805 1.00 50.00 H new ATOM 1301 N SER A 90 -9.441 -6.582 0.074 1.00 50.00 N ATOM 1302 CA SER A 90 -9.302 -5.587 1.177 1.00 50.00 C ATOM 1303 C SER A 90 -9.776 -4.208 0.711 1.00 50.00 C ATOM 1304 O SER A 90 -9.498 -3.788 -0.395 1.00 50.00 O ATOM 1305 CB SER A 90 -7.808 -5.559 1.497 1.00 50.00 C ATOM 1306 OG SER A 90 -7.202 -6.747 1.007 1.00 50.00 O ATOM 0 H SER A 90 -9.144 -6.255 -0.845 1.00 50.00 H new ATOM 0 HA SER A 90 -9.902 -5.850 2.048 1.00 50.00 H new ATOM 0 HB2 SER A 90 -7.343 -4.685 1.041 1.00 50.00 H new ATOM 0 HB3 SER A 90 -7.656 -5.476 2.573 1.00 50.00 H new ATOM 0 HG SER A 90 -6.243 -6.732 1.209 1.00 50.00 H new ATOM 1312 N TYR A 91 -10.487 -3.496 1.544 1.00 50.00 N ATOM 1313 CA TYR A 91 -10.968 -2.145 1.141 1.00 50.00 C ATOM 1314 C TYR A 91 -10.048 -1.071 1.727 1.00 50.00 C ATOM 1315 O TYR A 91 -9.827 -1.015 2.919 1.00 50.00 O ATOM 1316 CB TYR A 91 -12.375 -2.030 1.727 1.00 50.00 C ATOM 1317 CG TYR A 91 -13.381 -2.514 0.710 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -13.029 -3.519 -0.198 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -14.666 -1.957 0.677 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -13.961 -3.967 -1.142 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -15.597 -2.406 -0.267 1.00 50.00 C ATOM 1322 CZ TYR A 91 -15.245 -3.411 -1.175 1.00 50.00 C ATOM 1323 OH TYR A 91 -16.164 -3.853 -2.106 1.00 49.57 O ATOM 0 H TYR A 91 -10.754 -3.791 2.483 1.00 50.00 H new ATOM 0 HA TYR A 91 -10.972 -2.009 0.059 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -12.451 -2.621 2.640 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -12.585 -0.995 1.999 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -12.039 -3.949 -0.171 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -14.938 -1.182 1.379 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -13.689 -4.741 -1.844 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -16.588 -1.977 -0.295 1.00 50.00 H new ATOM 0 HH TYR A 91 -17.006 -3.364 -1.992 1.00 49.57 H new ATOM 1333 N ILE A 92 -9.505 -0.224 0.898 1.00 50.00 N ATOM 1334 CA ILE A 92 -8.595 0.839 1.417 1.00 50.00 C ATOM 1335 C ILE A 92 -9.254 2.213 1.275 1.00 50.00 C ATOM 1336 O ILE A 92 -9.783 2.549 0.238 1.00 50.00 O ATOM 1337 CB ILE A 92 -7.345 0.749 0.543 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -6.684 -0.619 0.737 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -6.361 1.850 0.942 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -7.338 -1.640 -0.194 1.00 50.00 C ATOM 0 H ILE A 92 -9.650 -0.220 -0.112 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.363 0.707 2.474 1.00 50.00 H new ATOM 0 HB ILE A 92 -7.625 0.874 -0.503 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -5.617 -0.552 0.527 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -6.785 -0.940 1.774 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -5.470 1.785 0.318 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -6.830 2.824 0.805 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -6.081 1.726 1.988 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -6.867 -2.613 -0.055 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -8.401 -1.715 0.037 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -7.213 -1.321 -1.229 1.00 50.00 H new ATOM 1352 N VAL A 93 -9.235 3.014 2.307 1.00 50.00 N ATOM 1353 CA VAL A 93 -9.878 4.357 2.202 1.00 50.00 C ATOM 1354 C VAL A 93 -8.897 5.476 2.569 1.00 50.00 C ATOM 1355 O VAL A 93 -8.382 5.529 3.669 1.00 50.00 O ATOM 1356 CB VAL A 93 -11.033 4.322 3.201 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -11.896 5.573 3.027 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -11.886 3.077 2.949 1.00 50.00 C ATOM 0 H VAL A 93 -8.808 2.801 3.208 1.00 50.00 H new ATOM 0 HA VAL A 93 -10.210 4.560 1.184 1.00 50.00 H new ATOM 0 HB VAL A 93 -10.635 4.293 4.215 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -12.720 5.548 3.740 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -11.289 6.461 3.204 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -12.294 5.602 2.013 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -12.711 3.051 3.661 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -12.284 3.108 1.935 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -11.272 2.185 3.071 1.00 50.00 H new ATOM 1368 N VAL A 94 -8.651 6.381 1.659 1.00 50.00 N ATOM 1369 CA VAL A 94 -7.726 7.510 1.956 1.00 50.00 C ATOM 1370 C VAL A 94 -8.540 8.747 2.343 1.00 50.00 C ATOM 1371 O VAL A 94 -9.163 9.372 1.508 1.00 50.00 O ATOM 1372 CB VAL A 94 -6.971 7.756 0.651 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -6.008 8.929 0.836 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -6.182 6.502 0.271 1.00 50.00 C ATOM 0 H VAL A 94 -9.052 6.386 0.721 1.00 50.00 H new ATOM 0 HA VAL A 94 -7.048 7.292 2.781 1.00 50.00 H new ATOM 0 HB VAL A 94 -7.682 7.989 -0.142 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -5.468 9.107 -0.094 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -6.571 9.823 1.105 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -5.298 8.695 1.629 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -5.644 6.679 -0.660 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -5.470 6.266 1.062 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -6.869 5.666 0.140 1.00 50.00 H new ATOM 1384 N GLY A 95 -8.552 9.104 3.598 1.00 50.00 N ATOM 1385 CA GLY A 95 -9.343 10.296 4.016 1.00 50.00 C ATOM 1386 C GLY A 95 -8.561 11.110 5.048 1.00 50.00 C ATOM 1387 O GLY A 95 -7.878 10.568 5.894 1.00 50.00 O ATOM 0 H GLY A 95 -8.052 8.626 4.348 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -9.568 10.915 3.148 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -10.297 9.979 4.438 1.00 50.00 H new ATOM 1391 N MET A 96 -8.662 12.409 4.985 1.00 50.00 N ATOM 1392 CA MET A 96 -7.932 13.268 5.961 1.00 50.00 C ATOM 1393 C MET A 96 -8.931 14.039 6.828 1.00 50.00 C ATOM 1394 O MET A 96 -9.073 15.241 6.711 1.00 50.00 O ATOM 1395 CB MET A 96 -7.109 14.230 5.103 1.00 50.00 C ATOM 1396 CG MET A 96 -6.361 15.213 6.007 1.00 50.00 C ATOM 1397 SD MET A 96 -5.614 16.517 4.996 1.00 50.00 S ATOM 1398 CE MET A 96 -7.082 16.925 4.020 1.00 50.00 C ATOM 0 H MET A 96 -9.220 12.915 4.297 1.00 50.00 H new ATOM 0 HA MET A 96 -7.303 12.689 6.637 1.00 50.00 H new ATOM 0 HB2 MET A 96 -6.400 13.672 4.491 1.00 50.00 H new ATOM 0 HB3 MET A 96 -7.762 14.773 4.420 1.00 50.00 H new ATOM 0 HG2 MET A 96 -7.047 15.649 6.733 1.00 50.00 H new ATOM 0 HG3 MET A 96 -5.590 14.689 6.572 1.00 50.00 H new ATOM 0 HE1 MET A 96 -6.967 17.919 3.588 1.00 50.00 H new ATOM 0 HE2 MET A 96 -7.202 16.194 3.221 1.00 50.00 H new ATOM 0 HE3 MET A 96 -7.962 16.908 4.663 1.00 50.00 H new ATOM 1408 N GLY A 97 -9.627 13.358 7.696 1.00 50.00 N ATOM 1409 CA GLY A 97 -10.618 14.053 8.566 1.00 50.00 C ATOM 1410 C GLY A 97 -11.620 14.813 7.695 1.00 50.00 C ATOM 1411 O GLY A 97 -12.297 15.712 8.152 1.00 50.00 O ATOM 0 H GLY A 97 -9.553 12.351 7.841 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -11.140 13.328 9.191 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -10.107 14.743 9.237 1.00 50.00 H new ATOM 1415 N ASP A 98 -11.717 14.460 6.442 1.00 50.00 N ATOM 1416 CA ASP A 98 -12.676 15.164 5.542 1.00 50.00 C ATOM 1417 C ASP A 98 -13.183 14.206 4.461 1.00 50.00 C ATOM 1418 O ASP A 98 -14.200 13.559 4.618 1.00 50.00 O ATOM 1419 CB ASP A 98 -11.868 16.300 4.915 1.00 50.00 C ATOM 1420 CG ASP A 98 -11.470 17.303 5.999 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -12.357 17.793 6.680 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -10.286 17.565 6.131 1.00 50.00 O ATOM 0 H ASP A 98 -11.175 13.716 6.003 1.00 50.00 H new ATOM 0 HA ASP A 98 -13.551 15.533 6.076 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -10.977 15.902 4.429 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -12.457 16.797 4.144 1.00 50.00 H new ATOM 1427 N LYS A 99 -12.485 14.114 3.362 1.00 50.00 N ATOM 1428 CA LYS A 99 -12.925 13.203 2.271 1.00 50.00 C ATOM 1429 C LYS A 99 -12.526 11.760 2.590 1.00 50.00 C ATOM 1430 O LYS A 99 -11.590 11.512 3.324 1.00 50.00 O ATOM 1431 CB LYS A 99 -12.194 13.700 1.024 1.00 50.00 C ATOM 1432 CG LYS A 99 -13.188 13.824 -0.133 1.00 50.00 C ATOM 1433 CD LYS A 99 -13.837 15.208 -0.100 1.00 50.00 C ATOM 1434 CE LYS A 99 -14.960 15.270 -1.139 1.00 50.00 C ATOM 1435 NZ LYS A 99 -16.087 15.953 -0.447 1.00 50.00 N ATOM 0 H LYS A 99 -11.627 14.632 3.174 1.00 50.00 H new ATOM 0 HA LYS A 99 -14.007 13.208 2.139 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -11.728 14.665 1.223 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -11.394 13.009 0.758 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -12.677 13.673 -1.084 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -13.952 13.050 -0.055 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -14.235 15.411 0.894 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -13.092 15.976 -0.308 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -14.648 15.823 -2.025 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -15.247 14.272 -1.470 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -16.896 16.033 -1.096 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -16.367 15.401 0.389 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -15.787 16.903 -0.149 1.00 50.00 H new ATOM 1449 N GLN A 100 -13.226 10.804 2.040 1.00 0.00 N ATOM 1450 CA GLN A 100 -12.878 9.379 2.312 1.00 0.00 C ATOM 1451 C GLN A 100 -13.026 8.532 1.040 1.00 0.00 C ATOM 1452 O GLN A 100 -14.056 7.947 0.780 1.00 0.00 O ATOM 1453 CB GLN A 100 -13.849 8.924 3.415 1.00 0.00 C ATOM 1454 CG GLN A 100 -15.246 8.657 2.839 1.00 0.00 C ATOM 1455 CD GLN A 100 -15.694 9.839 1.979 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -16.108 10.857 2.495 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -15.626 9.748 0.679 1.00 0.00 N ATOM 0 H GLN A 100 -14.021 10.947 1.417 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.842 9.263 2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -13.468 8.020 3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.911 9.689 4.189 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.233 7.746 2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.957 8.496 3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.278 8.893 0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.921 10.532 0.097 1.00 0.00 H new ATOM 1466 N ILE A 101 -11.992 8.457 0.248 1.00 0.00 N ATOM 1467 CA ILE A 101 -12.068 7.642 -1.001 1.00 0.00 C ATOM 1468 C ILE A 101 -11.736 6.180 -0.687 1.00 0.00 C ATOM 1469 O ILE A 101 -10.641 5.863 -0.269 1.00 0.00 O ATOM 1470 CB ILE A 101 -11.015 8.247 -1.929 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -11.151 7.629 -3.322 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -9.621 7.952 -1.375 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -11.951 8.573 -4.223 1.00 0.00 C ATOM 0 H ILE A 101 -11.099 8.923 0.410 1.00 0.00 H new ATOM 0 HA ILE A 101 -13.060 7.655 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 101 -11.161 9.325 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -10.165 7.450 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -11.650 6.662 -3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.868 8.383 -2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -9.524 8.389 -0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -9.475 6.874 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -12.048 8.133 -5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -12.942 8.730 -3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -11.433 9.529 -4.299 1.00 0.00 H new ATOM 1485 N ASN A 102 -12.674 5.292 -0.875 1.00 0.00 N ATOM 1486 CA ASN A 102 -12.405 3.856 -0.571 1.00 0.00 C ATOM 1487 C ASN A 102 -12.253 3.042 -1.860 1.00 0.00 C ATOM 1488 O ASN A 102 -12.813 3.368 -2.887 1.00 0.00 O ATOM 1489 CB ASN A 102 -13.629 3.385 0.215 1.00 0.00 C ATOM 1490 CG ASN A 102 -14.888 3.584 -0.634 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -15.028 2.985 -1.682 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -15.814 4.406 -0.222 1.00 0.00 N ATOM 0 H ASN A 102 -13.610 5.496 -1.224 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.478 3.727 -0.013 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.520 2.334 0.483 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.714 3.944 1.147 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.656 4.546 -0.780 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -15.695 4.908 0.658 1.00 0.00 H new ATOM 1499 N HIS A 103 -11.497 1.979 -1.803 1.00 0.00 N ATOM 1500 CA HIS A 103 -11.295 1.124 -3.006 1.00 0.00 C ATOM 1501 C HIS A 103 -11.561 -0.341 -2.645 1.00 0.00 C ATOM 1502 O HIS A 103 -11.479 -0.730 -1.497 1.00 0.00 O ATOM 1503 CB HIS A 103 -9.831 1.324 -3.395 1.00 0.00 C ATOM 1504 CG HIS A 103 -9.730 2.421 -4.419 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -10.792 3.263 -4.705 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -8.701 2.824 -5.232 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -10.382 4.123 -5.655 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -9.114 3.900 -6.013 1.00 0.00 N ATOM 0 H HIS A 103 -11.006 1.664 -0.966 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.968 1.384 -3.823 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.241 1.578 -2.514 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.421 0.398 -3.797 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -11.716 3.236 -4.274 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.719 2.375 -5.262 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.003 4.900 -6.077 1.00 0.00 H new ATOM 1516 N HIS A 104 -11.883 -1.152 -3.614 1.00 0.00 N ATOM 1517 CA HIS A 104 -12.162 -2.588 -3.320 1.00 0.00 C ATOM 1518 C HIS A 104 -11.104 -3.486 -3.969 1.00 0.00 C ATOM 1519 O HIS A 104 -11.321 -4.055 -5.020 1.00 0.00 O ATOM 1520 CB HIS A 104 -13.538 -2.854 -3.933 1.00 0.00 C ATOM 1521 CG HIS A 104 -14.468 -1.722 -3.591 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -15.576 -1.416 -4.366 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -14.467 -0.812 -2.563 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -16.190 -0.362 -3.797 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -15.555 0.045 -2.695 1.00 0.00 N ATOM 0 H HIS A 104 -11.965 -0.885 -4.595 1.00 0.00 H new ATOM 0 HA HIS A 104 -12.139 -2.800 -2.251 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -13.452 -2.954 -5.015 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -13.940 -3.795 -3.557 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -13.733 -0.768 -1.772 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -17.087 0.098 -4.184 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -15.812 0.818 -2.082 1.00 0.00 H new ATOM 1533 N TRP A 105 -9.965 -3.621 -3.348 1.00 0.00 N ATOM 1534 CA TRP A 105 -8.901 -4.486 -3.928 1.00 0.00 C ATOM 1535 C TRP A 105 -9.394 -5.934 -4.020 1.00 0.00 C ATOM 1536 O TRP A 105 -9.513 -6.623 -3.026 1.00 0.00 O ATOM 1537 CB TRP A 105 -7.726 -4.376 -2.953 1.00 0.00 C ATOM 1538 CG TRP A 105 -6.797 -5.530 -3.157 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -6.319 -6.326 -2.173 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -6.226 -6.030 -4.402 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -5.492 -7.283 -2.734 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -5.402 -7.142 -4.105 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -6.341 -5.630 -5.746 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -4.719 -7.833 -5.106 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -5.655 -6.324 -6.755 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -4.845 -7.423 -6.435 1.00 0.00 C ATOM 0 H TRP A 105 -9.726 -3.170 -2.465 1.00 0.00 H new ATOM 0 HA TRP A 105 -8.621 -4.181 -4.936 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -7.196 -3.437 -3.111 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -8.092 -4.367 -1.926 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.546 -6.230 -1.121 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.008 -8.005 -2.200 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -6.961 -4.784 -6.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -4.097 -8.679 -4.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -5.752 -6.010 -7.784 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.319 -7.952 -7.216 1.00 0.00 H new ATOM 1557 N HIS A 106 -9.684 -6.398 -5.204 1.00 0.00 N ATOM 1558 CA HIS A 106 -10.171 -7.800 -5.354 1.00 0.00 C ATOM 1559 C HIS A 106 -9.063 -8.691 -5.920 1.00 0.00 C ATOM 1560 O HIS A 106 -8.330 -8.301 -6.807 1.00 0.00 O ATOM 1561 CB HIS A 106 -11.341 -7.710 -6.335 1.00 0.00 C ATOM 1562 CG HIS A 106 -12.637 -7.776 -5.574 1.00 0.00 C ATOM 1563 ND1 HIS A 106 -12.927 -6.909 -4.533 1.00 0.00 N ATOM 1564 CD2 HIS A 106 -13.728 -8.601 -5.691 1.00 0.00 C ATOM 1565 CE1 HIS A 106 -14.149 -7.229 -4.067 1.00 0.00 C ATOM 1566 NE2 HIS A 106 -14.682 -8.254 -4.739 1.00 0.00 N ATOM 0 H HIS A 106 -9.605 -5.869 -6.073 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.470 -8.236 -4.401 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -11.285 -6.780 -6.900 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.288 -8.525 -7.057 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.830 -9.398 -6.412 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.639 -6.720 -3.250 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -15.592 -8.688 -4.587 1.00 0.00 H new ATOM 1574 N LYS A 107 -8.936 -9.888 -5.414 1.00 0.00 N ATOM 1575 CA LYS A 107 -7.877 -10.806 -5.922 1.00 0.00 C ATOM 1576 C LYS A 107 -8.104 -11.107 -7.406 1.00 0.00 C ATOM 1577 O LYS A 107 -7.254 -11.662 -8.074 1.00 0.00 O ATOM 1578 CB LYS A 107 -8.025 -12.080 -5.088 1.00 0.00 C ATOM 1579 CG LYS A 107 -6.694 -12.833 -5.061 1.00 0.00 C ATOM 1580 CD LYS A 107 -6.155 -12.865 -3.629 1.00 0.00 C ATOM 1581 CE LYS A 107 -6.469 -14.222 -2.995 1.00 0.00 C ATOM 1582 NZ LYS A 107 -5.434 -14.403 -1.941 1.00 0.00 N ATOM 0 H LYS A 107 -9.520 -10.270 -4.670 1.00 0.00 H new ATOM 0 HA LYS A 107 -6.880 -10.374 -5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.333 -11.829 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.805 -12.714 -5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.831 -13.849 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.975 -12.347 -5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.079 -12.693 -3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.605 -12.065 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.472 -14.236 -2.569 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.425 -15.022 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.583 -15.313 -1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.490 -14.392 -2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.505 -13.630 -1.249 1.00 0.00 H new ATOM 1596 N ALA A 108 -9.245 -10.746 -7.924 1.00 0.00 N ATOM 1597 CA ALA A 108 -9.527 -11.011 -9.364 1.00 0.00 C ATOM 1598 C ALA A 108 -10.902 -10.454 -9.743 1.00 0.00 C ATOM 1599 O ALA A 108 -11.766 -10.284 -8.906 1.00 0.00 O ATOM 1600 CB ALA A 108 -9.510 -12.534 -9.498 1.00 0.00 C ATOM 0 H ALA A 108 -9.994 -10.279 -7.413 1.00 0.00 H new ATOM 0 HA ALA A 108 -8.799 -10.537 -10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.710 -12.810 -10.533 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.532 -12.914 -9.204 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.276 -12.965 -8.853 1.00 0.00 H new ATOM 1606 N GLY A 109 -11.112 -10.169 -10.999 1.00 0.00 N ATOM 1607 CA GLY A 109 -12.431 -9.625 -11.431 1.00 0.00 C ATOM 1608 C GLY A 109 -12.651 -9.935 -12.911 1.00 0.00 C ATOM 1609 O GLY A 109 -11.722 -9.973 -13.692 1.00 0.00 O ATOM 0 H GLY A 109 -10.427 -10.289 -11.745 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -13.230 -10.064 -10.834 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.464 -8.548 -11.265 1.00 0.00 H new ATOM 1613 N SER A 110 -13.876 -10.156 -13.306 1.00 0.00 N ATOM 1614 CA SER A 110 -14.152 -10.463 -14.738 1.00 0.00 C ATOM 1615 C SER A 110 -15.662 -10.552 -14.978 1.00 0.00 C ATOM 1616 O SER A 110 -16.154 -10.196 -16.030 1.00 0.00 O ATOM 1617 CB SER A 110 -13.488 -11.815 -14.987 1.00 0.00 C ATOM 1618 OG SER A 110 -12.847 -11.797 -16.256 1.00 0.00 O ATOM 0 H SER A 110 -14.696 -10.137 -12.700 1.00 0.00 H new ATOM 0 HA SER A 110 -13.770 -9.692 -15.408 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.761 -12.026 -14.203 1.00 0.00 H new ATOM 0 HB3 SER A 110 -14.233 -12.610 -14.954 1.00 0.00 H new ATOM 0 HG SER A 110 -12.418 -12.663 -16.418 1.00 0.00 H new ATOM 1624 N THR A 111 -16.400 -11.026 -14.012 1.00 0.00 N ATOM 1625 CA THR A 111 -17.877 -11.137 -14.188 1.00 0.00 C ATOM 1626 C THR A 111 -18.475 -9.765 -14.513 1.00 0.00 C ATOM 1627 O THR A 111 -19.645 -9.716 -14.855 1.00 49.57 O ATOM 1628 CB THR A 111 -18.398 -11.645 -12.843 1.00 0.00 C ATOM 1629 OG1 THR A 111 -18.028 -13.007 -12.679 1.00 0.00 O ATOM 1630 CG2 THR A 111 -19.921 -11.520 -12.803 1.00 0.00 C ATOM 1631 OXT THR A 111 -17.751 -8.788 -14.416 1.00 49.57 O ATOM 0 H THR A 111 -16.045 -11.341 -13.109 1.00 0.00 H new ATOM 0 HA THR A 111 -18.147 -11.803 -15.008 1.00 0.00 H new ATOM 0 HB THR A 111 -17.967 -11.051 -12.038 1.00 0.00 H new ATOM 0 HG1 THR A 111 -18.359 -13.334 -11.817 1.00 0.00 H new ATOM 0 HG21 THR A 111 -20.291 -11.882 -11.844 1.00 0.00 H new ATOM 0 HG22 THR A 111 -20.204 -10.475 -12.929 1.00 0.00 H new ATOM 0 HG23 THR A 111 -20.356 -12.113 -13.607 1.00 0.00 H new TER 1639 THR A 111