USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 670 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 7 THR OG1 : rot 130:sc= -0.288 USER MOD Set 1.2: A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.323 (180deg=-0.87) USER MOD Single : A 9 LYS NZ :NH3+ -117:sc= 0.102 (180deg=-1.18) USER MOD Single : A 11 MET CE :methyl 173:sc= -1.44 (180deg=-1.64) USER MOD Single : A 14 SER OG : rot 180:sc= 0.013 USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0556) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot -145:sc= -1.39 USER MOD Single : A 37 HIS : no HD1:sc= -3.42! C(o=-3.4!,f=-6.4!) USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= 0.092 (180deg=-0.0181) USER MOD Single : A 52 ASN : amide:sc= -7.56! C(o=-7.6!,f=-5.5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -56:sc= -0.146 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -129:sc= -1.47 USER MOD Single : A 79 ASN : amide:sc= -3.51! K(o=-3.5!,f=-0.048) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.294 17.631 8.334 1.00 0.00 N ATOM 2 CA MET A 1 10.068 16.905 7.906 1.00 0.00 C ATOM 3 C MET A 1 8.911 17.868 7.665 1.00 0.00 C ATOM 4 O MET A 1 8.966 19.034 8.055 1.00 0.00 O ATOM 5 CB MET A 1 9.688 15.884 8.983 1.00 0.00 C ATOM 6 CG MET A 1 10.266 16.192 10.352 1.00 0.00 C ATOM 7 SD MET A 1 9.408 15.327 11.681 1.00 0.00 S ATOM 8 CE MET A 1 10.445 13.879 11.869 1.00 0.00 C ATOM 0 H1 MET A 1 11.990 16.951 8.700 1.00 0.00 H new ATOM 0 H2 MET A 1 11.699 18.138 7.521 1.00 0.00 H new ATOM 0 H3 MET A 1 11.051 18.313 9.081 1.00 0.00 H new ATOM 0 HA MET A 1 10.275 16.393 6.966 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.602 15.838 9.060 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.027 14.897 8.670 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.321 15.917 10.367 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.214 17.266 10.530 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.043 13.243 12.658 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.468 13.324 10.931 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.457 14.188 12.132 1.00 0.00 H new ATOM 20 N GLY A 2 7.864 17.363 7.026 1.00 0.00 N ATOM 21 CA GLY A 2 6.693 18.173 6.748 1.00 0.00 C ATOM 22 C GLY A 2 5.692 17.438 5.877 1.00 0.00 C ATOM 23 O GLY A 2 4.556 17.881 5.708 1.00 0.00 O ATOM 0 H GLY A 2 7.805 16.401 6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.217 18.458 7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.998 19.095 6.252 1.00 0.00 H new ATOM 27 N ASP A 3 6.145 16.341 5.281 1.00 0.00 N ATOM 28 CA ASP A 3 5.301 15.525 4.413 1.00 0.00 C ATOM 29 C ASP A 3 4.620 14.403 5.188 1.00 0.00 C ATOM 30 O ASP A 3 5.178 13.867 6.144 1.00 0.00 O ATOM 31 CB ASP A 3 6.131 14.933 3.271 1.00 0.00 C ATOM 32 CG ASP A 3 6.503 15.968 2.228 1.00 0.00 C ATOM 33 OD1 ASP A 3 5.744 16.947 2.065 1.00 0.00 O ATOM 34 OD2 ASP A 3 7.553 15.799 1.572 1.00 0.00 O ATOM 0 H ASP A 3 7.099 15.994 5.384 1.00 0.00 H new ATOM 0 HA ASP A 3 4.527 16.173 4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.039 14.489 3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.569 14.129 2.796 1.00 0.00 H new ATOM 39 N VAL A 4 3.417 14.043 4.757 1.00 0.00 N ATOM 40 CA VAL A 4 2.669 12.957 5.380 1.00 0.00 C ATOM 41 C VAL A 4 2.795 11.671 4.564 1.00 0.00 C ATOM 42 O VAL A 4 2.297 11.588 3.442 1.00 0.00 O ATOM 43 CB VAL A 4 1.178 13.312 5.536 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.573 12.565 6.715 1.00 0.00 C ATOM 45 CG2 VAL A 4 0.993 14.814 5.699 1.00 0.00 C ATOM 0 H VAL A 4 2.937 14.489 3.975 1.00 0.00 H new ATOM 0 HA VAL A 4 3.098 12.803 6.370 1.00 0.00 H new ATOM 0 HB VAL A 4 0.657 13.004 4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.481 12.828 6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.666 11.491 6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.100 12.840 7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.068 15.040 5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.529 15.152 6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.385 15.326 4.821 1.00 0.00 H new ATOM 55 N VAL A 5 3.459 10.666 5.132 1.00 0.00 N ATOM 56 CA VAL A 5 3.656 9.393 4.442 1.00 0.00 C ATOM 57 C VAL A 5 2.745 8.303 5.006 1.00 0.00 C ATOM 58 O VAL A 5 2.929 7.858 6.135 1.00 0.00 O ATOM 59 CB VAL A 5 5.124 8.924 4.552 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.280 7.496 4.045 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.044 9.871 3.796 1.00 0.00 C ATOM 0 H VAL A 5 3.868 10.708 6.065 1.00 0.00 H new ATOM 0 HA VAL A 5 3.404 9.560 3.395 1.00 0.00 H new ATOM 0 HB VAL A 5 5.408 8.937 5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.323 7.190 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.655 6.829 4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.975 7.446 3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.074 9.525 3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.758 9.894 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.960 10.873 4.217 1.00 0.00 H new ATOM 71 N ALA A 6 1.778 7.859 4.206 1.00 0.00 N ATOM 72 CA ALA A 6 0.877 6.786 4.625 1.00 0.00 C ATOM 73 C ALA A 6 1.382 5.448 4.100 1.00 0.00 C ATOM 74 O ALA A 6 1.901 5.375 2.989 1.00 0.00 O ATOM 75 CB ALA A 6 -0.539 7.056 4.138 1.00 0.00 C ATOM 0 H ALA A 6 1.598 8.222 3.270 1.00 0.00 H new ATOM 0 HA ALA A 6 0.858 6.748 5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.195 6.247 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.894 7.998 4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.544 7.117 3.050 1.00 0.00 H new ATOM 81 N THR A 7 1.240 4.389 4.895 1.00 0.00 N ATOM 82 CA THR A 7 1.741 3.079 4.492 1.00 0.00 C ATOM 83 C THR A 7 0.647 2.012 4.477 1.00 0.00 C ATOM 84 O THR A 7 -0.079 1.807 5.464 1.00 0.00 O ATOM 85 CB THR A 7 2.885 2.642 5.402 1.00 0.00 C ATOM 86 OG1 THR A 7 3.806 3.702 5.594 1.00 0.00 O ATOM 87 CG2 THR A 7 3.653 1.454 4.864 1.00 0.00 C ATOM 0 H THR A 7 0.788 4.412 5.809 1.00 0.00 H new ATOM 0 HA THR A 7 2.107 3.182 3.471 1.00 0.00 H new ATOM 0 HB THR A 7 2.415 2.355 6.343 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.976 3.818 6.552 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.453 1.193 5.557 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.979 0.605 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.082 1.707 3.894 1.00 0.00 H new ATOM 95 N ILE A 8 0.585 1.309 3.347 1.00 0.00 N ATOM 96 CA ILE A 8 -0.401 0.262 3.108 1.00 0.00 C ATOM 97 C ILE A 8 0.290 -1.081 2.821 1.00 0.00 C ATOM 98 O ILE A 8 0.923 -1.243 1.780 1.00 0.00 O ATOM 99 CB ILE A 8 -1.281 0.647 1.902 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.739 2.109 2.011 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.462 -0.289 1.782 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.983 2.316 2.856 1.00 0.00 C ATOM 0 H ILE A 8 1.225 1.453 2.566 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.017 0.157 4.001 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.685 0.550 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.926 2.701 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.928 2.493 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.070 0.000 0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.105 -1.310 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.064 -0.233 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.235 3.376 2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.813 1.755 2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.796 1.966 3.871 1.00 0.00 H new ATOM 114 N LYS A 9 0.212 -2.021 3.768 1.00 0.00 N ATOM 115 CA LYS A 9 0.873 -3.326 3.619 1.00 0.00 C ATOM 116 C LYS A 9 -0.089 -4.407 3.130 1.00 0.00 C ATOM 117 O LYS A 9 -0.780 -5.039 3.924 1.00 0.00 O ATOM 118 CB LYS A 9 1.489 -3.762 4.944 1.00 0.00 C ATOM 119 CG LYS A 9 1.629 -2.640 5.963 1.00 0.00 C ATOM 120 CD LYS A 9 3.077 -2.265 6.198 1.00 0.00 C ATOM 121 CE LYS A 9 3.767 -3.252 7.125 1.00 0.00 C ATOM 122 NZ LYS A 9 3.580 -2.894 8.558 1.00 0.00 N ATOM 0 H LYS A 9 -0.299 -1.906 4.643 1.00 0.00 H new ATOM 0 HA LYS A 9 1.653 -3.203 2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.876 -4.554 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.473 -4.189 4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.079 -1.765 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.177 -2.948 6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.604 -2.231 5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.129 -1.264 6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.374 -4.253 6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.832 -3.282 6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.504 -2.682 8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.965 -2.059 8.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.141 -3.692 9.061 1.00 0.00 H new ATOM 136 N VAL A 10 -0.096 -4.647 1.830 1.00 0.00 N ATOM 137 CA VAL A 10 -1.015 -5.621 1.235 1.00 0.00 C ATOM 138 C VAL A 10 -0.383 -7.011 1.112 1.00 0.00 C ATOM 139 O VAL A 10 0.773 -7.147 0.716 1.00 0.00 O ATOM 140 CB VAL A 10 -1.527 -5.140 -0.151 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.252 -3.652 -0.335 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.921 -5.941 -1.297 1.00 0.00 C ATOM 0 H VAL A 10 0.521 -4.185 1.161 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.865 -5.701 1.913 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.604 -5.307 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.617 -3.332 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.763 -3.088 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.179 -3.470 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.308 -5.569 -2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.164 -5.835 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.184 -6.993 -1.185 1.00 0.00 H new ATOM 152 N MET A 11 -1.157 -8.044 1.460 1.00 0.00 N ATOM 153 CA MET A 11 -0.682 -9.424 1.365 1.00 0.00 C ATOM 154 C MET A 11 -1.824 -10.383 0.996 1.00 0.00 C ATOM 155 O MET A 11 -2.856 -10.430 1.672 1.00 0.00 O ATOM 156 CB MET A 11 -0.004 -9.857 2.679 1.00 0.00 C ATOM 157 CG MET A 11 -0.861 -10.735 3.584 1.00 0.00 C ATOM 158 SD MET A 11 0.116 -11.880 4.573 1.00 0.00 S ATOM 159 CE MET A 11 -0.492 -13.456 3.976 1.00 0.00 C ATOM 0 H MET A 11 -2.111 -7.949 1.808 1.00 0.00 H new ATOM 0 HA MET A 11 0.058 -9.469 0.566 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.913 -10.395 2.438 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.286 -8.964 3.233 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.450 -10.101 4.247 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.566 -11.299 2.974 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.105 -14.262 4.404 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.534 -13.580 4.272 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.417 -13.487 2.889 1.00 0.00 H new ATOM 169 N PRO A 12 -1.647 -11.163 -0.089 1.00 0.00 N ATOM 170 CA PRO A 12 -2.644 -12.137 -0.548 1.00 0.00 C ATOM 171 C PRO A 12 -2.732 -13.337 0.388 1.00 0.00 C ATOM 172 O PRO A 12 -1.739 -14.027 0.620 1.00 0.00 O ATOM 173 CB PRO A 12 -2.130 -12.572 -1.932 1.00 0.00 C ATOM 174 CG PRO A 12 -1.039 -11.611 -2.267 1.00 0.00 C ATOM 175 CD PRO A 12 -0.466 -11.166 -0.956 1.00 0.00 C ATOM 0 HA PRO A 12 -3.647 -11.711 -0.577 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.758 -13.596 -1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.926 -12.538 -2.676 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.277 -12.085 -2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.426 -10.763 -2.832 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.303 -11.849 -0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.009 -10.179 -1.025 1.00 0.00 H new ATOM 183 N GLU A 13 -3.916 -13.560 0.949 1.00 0.00 N ATOM 184 CA GLU A 13 -4.129 -14.667 1.873 1.00 0.00 C ATOM 185 C GLU A 13 -3.764 -15.999 1.233 1.00 0.00 C ATOM 186 O GLU A 13 -3.337 -16.931 1.915 1.00 0.00 O ATOM 187 CB GLU A 13 -5.585 -14.694 2.342 1.00 0.00 C ATOM 188 CG GLU A 13 -5.783 -14.133 3.740 1.00 0.00 C ATOM 189 CD GLU A 13 -7.195 -14.335 4.254 1.00 0.00 C ATOM 190 OE1 GLU A 13 -8.147 -13.945 3.545 1.00 0.00 O ATOM 191 OE2 GLU A 13 -7.349 -14.883 5.365 1.00 0.00 O ATOM 0 H GLU A 13 -4.743 -12.988 0.779 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.478 -14.514 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.195 -14.124 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.947 -15.722 2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.080 -14.611 4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.550 -13.068 3.737 1.00 0.00 H new ATOM 198 N SER A 14 -3.950 -16.090 -0.079 1.00 0.00 N ATOM 199 CA SER A 14 -3.644 -17.313 -0.808 1.00 0.00 C ATOM 200 C SER A 14 -2.145 -17.448 -1.042 1.00 0.00 C ATOM 201 O SER A 14 -1.429 -16.450 -1.102 1.00 0.00 O ATOM 202 CB SER A 14 -4.375 -17.329 -2.152 1.00 0.00 C ATOM 203 OG SER A 14 -3.698 -16.534 -3.110 1.00 0.00 O ATOM 0 H SER A 14 -4.311 -15.332 -0.658 1.00 0.00 H new ATOM 0 HA SER A 14 -3.981 -18.155 -0.204 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.453 -18.354 -2.515 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.392 -16.959 -2.021 1.00 0.00 H new ATOM 0 HG SER A 14 -4.184 -16.562 -3.961 1.00 0.00 H new ATOM 209 N PRO A 15 -1.649 -18.688 -1.201 1.00 0.00 N ATOM 210 CA PRO A 15 -0.232 -18.933 -1.462 1.00 0.00 C ATOM 211 C PRO A 15 0.172 -18.450 -2.851 1.00 0.00 C ATOM 212 O PRO A 15 1.332 -18.565 -3.250 1.00 0.00 O ATOM 213 CB PRO A 15 -0.102 -20.454 -1.359 1.00 0.00 C ATOM 214 CG PRO A 15 -1.462 -20.971 -1.678 1.00 0.00 C ATOM 215 CD PRO A 15 -2.429 -19.940 -1.161 1.00 0.00 C ATOM 0 HA PRO A 15 0.416 -18.400 -0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.641 -20.836 -2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.213 -20.758 -0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.583 -21.116 -2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.633 -21.938 -1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.321 -19.878 -1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.762 -20.173 -0.150 1.00 0.00 H new ATOM 223 N ASP A 16 -0.804 -17.923 -3.586 1.00 0.00 N ATOM 224 CA ASP A 16 -0.564 -17.395 -4.923 1.00 0.00 C ATOM 225 C ASP A 16 -0.231 -15.910 -4.848 1.00 0.00 C ATOM 226 O ASP A 16 -0.710 -15.112 -5.653 1.00 0.00 O ATOM 227 CB ASP A 16 -1.789 -17.616 -5.812 1.00 0.00 C ATOM 228 CG ASP A 16 -1.466 -18.424 -7.053 1.00 0.00 C ATOM 229 OD1 ASP A 16 -0.692 -17.928 -7.899 1.00 0.00 O ATOM 230 OD2 ASP A 16 -1.987 -19.552 -7.180 1.00 0.00 O ATOM 0 H ASP A 16 -1.773 -17.851 -3.275 1.00 0.00 H new ATOM 0 HA ASP A 16 0.282 -17.925 -5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.562 -18.129 -5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.199 -16.650 -6.107 1.00 0.00 H new ATOM 235 N VAL A 17 0.588 -15.554 -3.864 1.00 0.00 N ATOM 236 CA VAL A 17 0.976 -14.165 -3.646 1.00 0.00 C ATOM 237 C VAL A 17 1.816 -13.632 -4.808 1.00 0.00 C ATOM 238 O VAL A 17 3.043 -13.571 -4.726 1.00 0.00 O ATOM 239 CB VAL A 17 1.772 -14.014 -2.329 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.236 -12.576 -2.124 1.00 0.00 C ATOM 241 CG2 VAL A 17 0.934 -14.479 -1.150 1.00 0.00 C ATOM 0 H VAL A 17 0.998 -16.212 -3.201 1.00 0.00 H new ATOM 0 HA VAL A 17 0.057 -13.582 -3.580 1.00 0.00 H new ATOM 0 HB VAL A 17 2.660 -14.642 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.793 -12.503 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.878 -12.279 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.369 -11.916 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.507 -14.367 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.027 -13.877 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.666 -15.527 -1.285 1.00 0.00 H new ATOM 251 N ASP A 18 1.148 -13.260 -5.898 1.00 0.00 N ATOM 252 CA ASP A 18 1.833 -12.702 -7.059 1.00 0.00 C ATOM 253 C ASP A 18 2.404 -11.335 -6.723 1.00 0.00 C ATOM 254 O ASP A 18 1.681 -10.343 -6.677 1.00 0.00 O ATOM 255 CB ASP A 18 0.884 -12.593 -8.250 1.00 0.00 C ATOM 256 CG ASP A 18 0.492 -13.948 -8.805 1.00 0.00 C ATOM 257 OD1 ASP A 18 1.393 -14.789 -9.011 1.00 0.00 O ATOM 258 OD2 ASP A 18 -0.716 -14.170 -9.032 1.00 0.00 O ATOM 0 H ASP A 18 0.136 -13.335 -6.000 1.00 0.00 H new ATOM 0 HA ASP A 18 2.648 -13.373 -7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.014 -12.054 -7.947 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.358 -12.005 -9.036 1.00 0.00 H new ATOM 263 N LEU A 19 3.701 -11.301 -6.462 1.00 0.00 N ATOM 264 CA LEU A 19 4.382 -10.070 -6.096 1.00 0.00 C ATOM 265 C LEU A 19 4.298 -9.029 -7.201 1.00 0.00 C ATOM 266 O LEU A 19 3.872 -7.899 -6.967 1.00 0.00 O ATOM 267 CB LEU A 19 5.853 -10.368 -5.785 1.00 0.00 C ATOM 268 CG LEU A 19 6.418 -9.683 -4.538 1.00 0.00 C ATOM 269 CD1 LEU A 19 6.401 -8.171 -4.704 1.00 0.00 C ATOM 270 CD2 LEU A 19 5.638 -10.102 -3.300 1.00 0.00 C ATOM 0 H LEU A 19 4.308 -12.120 -6.498 1.00 0.00 H new ATOM 0 HA LEU A 19 3.886 -9.665 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.970 -11.446 -5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.455 -10.072 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 19 7.454 -9.998 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.806 -7.702 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.008 -7.893 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.376 -7.833 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.053 -9.606 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.592 -9.819 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.709 -11.182 -3.173 1.00 0.00 H new ATOM 282 N GLU A 20 4.698 -9.413 -8.408 1.00 0.00 N ATOM 283 CA GLU A 20 4.722 -8.477 -9.525 1.00 0.00 C ATOM 284 C GLU A 20 3.317 -8.129 -9.980 1.00 0.00 C ATOM 285 O GLU A 20 3.057 -7.001 -10.400 1.00 0.00 O ATOM 286 CB GLU A 20 5.521 -9.050 -10.692 1.00 0.00 C ATOM 287 CG GLU A 20 4.894 -10.290 -11.306 1.00 0.00 C ATOM 288 CD GLU A 20 5.570 -10.708 -12.597 1.00 0.00 C ATOM 289 OE1 GLU A 20 6.094 -9.825 -13.309 1.00 0.00 O ATOM 290 OE2 GLU A 20 5.575 -11.921 -12.899 1.00 0.00 O ATOM 0 H GLU A 20 5.008 -10.358 -8.637 1.00 0.00 H new ATOM 0 HA GLU A 20 5.207 -7.564 -9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.623 -8.285 -11.462 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.527 -9.293 -10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.946 -11.111 -10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.838 -10.101 -11.498 1.00 0.00 H new ATOM 297 N ALA A 21 2.406 -9.091 -9.901 1.00 0.00 N ATOM 298 CA ALA A 21 1.024 -8.825 -10.262 1.00 0.00 C ATOM 299 C ALA A 21 0.416 -7.879 -9.244 1.00 0.00 C ATOM 300 O ALA A 21 -0.365 -6.990 -9.584 1.00 0.00 O ATOM 301 CB ALA A 21 0.223 -10.113 -10.357 1.00 0.00 C ATOM 0 H ALA A 21 2.596 -10.045 -9.596 1.00 0.00 H new ATOM 0 HA ALA A 21 0.997 -8.358 -11.246 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.807 -9.882 -10.629 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.662 -10.759 -11.117 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.238 -10.623 -9.394 1.00 0.00 H new ATOM 307 N LEU A 22 0.818 -8.062 -7.993 1.00 0.00 N ATOM 308 CA LEU A 22 0.382 -7.191 -6.915 1.00 0.00 C ATOM 309 C LEU A 22 0.925 -5.793 -7.146 1.00 0.00 C ATOM 310 O LEU A 22 0.276 -4.798 -6.838 1.00 0.00 O ATOM 311 CB LEU A 22 0.869 -7.732 -5.560 1.00 0.00 C ATOM 312 CG LEU A 22 -0.032 -7.440 -4.346 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.432 -7.006 -4.769 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.113 -8.661 -3.443 1.00 0.00 C ATOM 0 H LEU A 22 1.448 -8.809 -7.701 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.707 -7.158 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.988 -8.812 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.857 -7.317 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 22 0.418 -6.614 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.035 -6.810 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.366 -6.100 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.897 -7.798 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.753 -8.440 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.529 -9.499 -4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.885 -8.920 -3.091 1.00 0.00 H new ATOM 326 N LYS A 23 2.121 -5.743 -7.719 1.00 0.00 N ATOM 327 CA LYS A 23 2.781 -4.486 -8.034 1.00 0.00 C ATOM 328 C LYS A 23 1.903 -3.639 -8.938 1.00 0.00 C ATOM 329 O LYS A 23 1.709 -2.447 -8.695 1.00 0.00 O ATOM 330 CB LYS A 23 4.117 -4.761 -8.729 1.00 0.00 C ATOM 331 CG LYS A 23 5.337 -4.501 -7.863 1.00 0.00 C ATOM 332 CD LYS A 23 5.858 -5.778 -7.232 1.00 0.00 C ATOM 333 CE LYS A 23 7.332 -5.664 -6.889 1.00 0.00 C ATOM 334 NZ LYS A 23 7.602 -4.529 -5.963 1.00 0.00 N ATOM 0 H LYS A 23 2.658 -6.571 -7.977 1.00 0.00 H new ATOM 0 HA LYS A 23 2.959 -3.944 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.135 -5.800 -9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.182 -4.142 -9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.122 -4.047 -8.467 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.083 -3.786 -7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.289 -5.998 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.705 -6.613 -7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.671 -6.594 -6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.908 -5.530 -7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.592 -4.567 -5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.430 -3.630 -6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.972 -4.597 -5.138 1.00 0.00 H new ATOM 348 N LYS A 24 1.372 -4.265 -9.981 1.00 0.00 N ATOM 349 CA LYS A 24 0.513 -3.567 -10.924 1.00 0.00 C ATOM 350 C LYS A 24 -0.764 -3.100 -10.241 1.00 0.00 C ATOM 351 O LYS A 24 -1.226 -1.980 -10.465 1.00 0.00 O ATOM 352 CB LYS A 24 0.166 -4.472 -12.111 1.00 0.00 C ATOM 353 CG LYS A 24 1.263 -5.460 -12.476 1.00 0.00 C ATOM 354 CD LYS A 24 1.085 -5.995 -13.889 1.00 0.00 C ATOM 355 CE LYS A 24 0.482 -7.390 -13.882 1.00 0.00 C ATOM 356 NZ LYS A 24 1.174 -8.300 -14.837 1.00 0.00 N ATOM 0 H LYS A 24 1.521 -5.251 -10.193 1.00 0.00 H new ATOM 0 HA LYS A 24 1.055 -2.696 -11.292 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.744 -5.025 -11.879 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.051 -3.849 -12.979 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.235 -4.974 -12.390 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.257 -6.289 -11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.442 -5.322 -14.456 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.050 -6.017 -14.396 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.542 -7.806 -12.876 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.575 -7.330 -14.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.733 -9.241 -14.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.096 -7.917 -15.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.178 -8.378 -14.576 1.00 0.00 H new ATOM 370 N GLU A 25 -1.340 -3.970 -9.417 1.00 0.00 N ATOM 371 CA GLU A 25 -2.571 -3.642 -8.712 1.00 0.00 C ATOM 372 C GLU A 25 -2.335 -2.530 -7.701 1.00 0.00 C ATOM 373 O GLU A 25 -3.219 -1.721 -7.426 1.00 0.00 O ATOM 374 CB GLU A 25 -3.126 -4.881 -8.004 1.00 0.00 C ATOM 375 CG GLU A 25 -3.312 -6.073 -8.929 1.00 0.00 C ATOM 376 CD GLU A 25 -4.747 -6.562 -8.969 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.651 -5.733 -9.201 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.967 -7.775 -8.767 1.00 0.00 O ATOM 0 H GLU A 25 -0.975 -4.902 -9.223 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.299 -3.296 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.451 -5.160 -7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.084 -4.631 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.997 -5.799 -9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.664 -6.886 -8.602 1.00 0.00 H new ATOM 385 N ILE A 26 -1.139 -2.516 -7.133 1.00 0.00 N ATOM 386 CA ILE A 26 -0.777 -1.517 -6.144 1.00 0.00 C ATOM 387 C ILE A 26 -0.827 -0.117 -6.739 1.00 0.00 C ATOM 388 O ILE A 26 -1.289 0.822 -6.096 1.00 0.00 O ATOM 389 CB ILE A 26 0.626 -1.789 -5.559 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.516 -2.730 -4.359 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.306 -0.489 -5.154 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.730 -3.610 -4.167 1.00 0.00 C ATOM 0 H ILE A 26 -0.401 -3.189 -7.342 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.506 -1.582 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 26 1.236 -2.263 -6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.360 -2.138 -3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.364 -3.361 -4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.293 -0.707 -4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.409 0.155 -6.027 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.704 0.017 -4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.581 -4.251 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.875 -4.228 -5.053 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.610 -2.986 -4.012 1.00 0.00 H new ATOM 404 N GLN A 27 -0.311 0.023 -7.951 1.00 0.00 N ATOM 405 CA GLN A 27 -0.301 1.313 -8.620 1.00 0.00 C ATOM 406 C GLN A 27 -1.723 1.807 -8.858 1.00 0.00 C ATOM 407 O GLN A 27 -2.006 2.998 -8.733 1.00 0.00 O ATOM 408 CB GLN A 27 0.446 1.212 -9.952 1.00 0.00 C ATOM 409 CG GLN A 27 1.900 0.794 -9.801 1.00 0.00 C ATOM 410 CD GLN A 27 2.856 1.752 -10.485 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.745 2.007 -11.684 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.803 2.287 -9.723 1.00 0.00 N ATOM 0 H GLN A 27 0.104 -0.738 -8.489 1.00 0.00 H new ATOM 0 HA GLN A 27 0.212 2.028 -7.977 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.066 0.494 -10.593 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.404 2.177 -10.457 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.149 0.733 -8.741 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.032 -0.205 -10.217 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.857 2.047 -8.733 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.476 2.938 -10.128 1.00 0.00 H new ATOM 421 N GLU A 28 -2.604 0.887 -9.243 1.00 0.00 N ATOM 422 CA GLU A 28 -3.991 1.235 -9.533 1.00 0.00 C ATOM 423 C GLU A 28 -4.810 1.407 -8.260 1.00 0.00 C ATOM 424 O GLU A 28 -5.884 2.007 -8.281 1.00 0.00 O ATOM 425 CB GLU A 28 -4.622 0.168 -10.429 1.00 0.00 C ATOM 426 CG GLU A 28 -5.017 -1.103 -9.694 1.00 0.00 C ATOM 427 CD GLU A 28 -5.431 -2.216 -10.638 1.00 0.00 C ATOM 428 OE1 GLU A 28 -4.578 -2.668 -11.431 1.00 0.00 O ATOM 429 OE2 GLU A 28 -6.606 -2.635 -10.583 1.00 0.00 O ATOM 0 H GLU A 28 -2.383 -0.102 -9.361 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.992 2.192 -10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.506 0.588 -10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.920 -0.087 -11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.179 -1.441 -9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.839 -0.884 -9.013 1.00 0.00 H new ATOM 436 N ARG A 29 -4.312 0.856 -7.162 1.00 0.00 N ATOM 437 CA ARG A 29 -5.017 0.930 -5.890 1.00 0.00 C ATOM 438 C ARG A 29 -4.612 2.173 -5.105 1.00 0.00 C ATOM 439 O ARG A 29 -5.233 2.508 -4.096 1.00 0.00 O ATOM 440 CB ARG A 29 -4.741 -0.325 -5.068 1.00 0.00 C ATOM 441 CG ARG A 29 -3.409 -0.303 -4.343 1.00 0.00 C ATOM 442 CD ARG A 29 -3.281 -1.493 -3.410 1.00 0.00 C ATOM 443 NE ARG A 29 -2.081 -1.418 -2.582 1.00 0.00 N ATOM 444 CZ ARG A 29 -1.854 -0.460 -1.689 1.00 0.00 C ATOM 445 NH1 ARG A 29 -2.744 0.506 -1.500 1.00 0.00 N ATOM 446 NH2 ARG A 29 -0.734 -0.469 -0.980 1.00 0.00 N ATOM 0 H ARG A 29 -3.425 0.354 -7.126 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.085 0.997 -6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.540 -0.452 -4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.771 -1.193 -5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.595 -0.315 -5.068 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.315 0.622 -3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.160 -1.546 -2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.259 -2.412 -3.996 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.374 -2.145 -2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.608 0.516 -2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.564 1.238 -0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.048 -1.210 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.559 0.266 -0.294 1.00 0.00 H new ATOM 460 N ILE A 30 -3.555 2.836 -5.560 1.00 0.00 N ATOM 461 CA ILE A 30 -3.067 4.036 -4.887 1.00 0.00 C ATOM 462 C ILE A 30 -4.141 5.124 -4.849 1.00 0.00 C ATOM 463 O ILE A 30 -4.840 5.346 -5.839 1.00 0.00 O ATOM 464 CB ILE A 30 -1.804 4.594 -5.578 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.619 3.648 -5.353 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.480 5.999 -5.076 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.113 3.626 -3.925 1.00 0.00 C ATOM 0 H ILE A 30 -3.022 2.566 -6.387 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.815 3.746 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.998 4.662 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.913 2.638 -5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.198 3.941 -6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.586 6.368 -5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.317 6.664 -5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.305 5.970 -4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.725 2.934 -3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.214 4.626 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.914 3.303 -3.260 1.00 0.00 H new ATOM 479 N PRO A 31 -4.273 5.835 -3.710 1.00 0.00 N ATOM 480 CA PRO A 31 -5.249 6.920 -3.557 1.00 0.00 C ATOM 481 C PRO A 31 -5.199 7.911 -4.718 1.00 0.00 C ATOM 482 O PRO A 31 -4.180 8.561 -4.950 1.00 0.00 O ATOM 483 CB PRO A 31 -4.835 7.607 -2.245 1.00 0.00 C ATOM 484 CG PRO A 31 -3.507 7.027 -1.887 1.00 0.00 C ATOM 485 CD PRO A 31 -3.487 5.654 -2.484 1.00 0.00 C ATOM 0 HA PRO A 31 -6.272 6.543 -3.545 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.769 8.687 -2.373 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.567 7.423 -1.459 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.695 7.637 -2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.377 6.985 -0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.472 5.318 -2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.934 4.915 -1.819 1.00 0.00 H new ATOM 493 N GLU A 32 -6.303 8.000 -5.453 1.00 0.00 N ATOM 494 CA GLU A 32 -6.406 8.897 -6.603 1.00 0.00 C ATOM 495 C GLU A 32 -6.192 10.363 -6.221 1.00 0.00 C ATOM 496 O GLU A 32 -6.288 11.249 -7.070 1.00 0.00 O ATOM 497 CB GLU A 32 -7.776 8.736 -7.266 1.00 0.00 C ATOM 498 CG GLU A 32 -7.879 7.512 -8.161 1.00 0.00 C ATOM 499 CD GLU A 32 -7.912 6.216 -7.376 1.00 0.00 C ATOM 500 OE1 GLU A 32 -8.805 6.066 -6.516 1.00 0.00 O ATOM 501 OE2 GLU A 32 -7.043 5.352 -7.619 1.00 0.00 O ATOM 0 H GLU A 32 -7.147 7.457 -5.272 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.615 8.620 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.540 8.675 -6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.992 9.627 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.780 7.587 -8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.032 7.496 -8.847 1.00 0.00 H new ATOM 508 N GLY A 33 -5.904 10.619 -4.947 1.00 0.00 N ATOM 509 CA GLY A 33 -5.713 11.985 -4.492 1.00 0.00 C ATOM 510 C GLY A 33 -4.313 12.508 -4.749 1.00 0.00 C ATOM 511 O GLY A 33 -4.145 13.628 -5.234 1.00 0.00 O ATOM 0 H GLY A 33 -5.800 9.907 -4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.434 12.632 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.924 12.039 -3.424 1.00 0.00 H new ATOM 515 N THR A 34 -3.306 11.704 -4.423 1.00 0.00 N ATOM 516 CA THR A 34 -1.917 12.107 -4.614 1.00 0.00 C ATOM 517 C THR A 34 -1.130 11.026 -5.353 1.00 0.00 C ATOM 518 O THR A 34 -1.601 10.478 -6.348 1.00 0.00 O ATOM 519 CB THR A 34 -1.267 12.411 -3.260 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.231 12.886 -2.337 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.161 13.441 -3.341 1.00 0.00 C ATOM 0 H THR A 34 -3.425 10.772 -4.026 1.00 0.00 H new ATOM 0 HA THR A 34 -1.902 13.010 -5.224 1.00 0.00 H new ATOM 0 HB THR A 34 -0.835 11.466 -2.930 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.821 13.556 -1.751 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.254 13.608 -2.347 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.624 13.081 -4.007 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.563 14.377 -3.728 1.00 0.00 H new ATOM 529 N GLU A 35 0.072 10.724 -4.863 1.00 0.00 N ATOM 530 CA GLU A 35 0.919 9.715 -5.483 1.00 0.00 C ATOM 531 C GLU A 35 1.564 8.828 -4.425 1.00 0.00 C ATOM 532 O GLU A 35 1.544 9.148 -3.236 1.00 0.00 O ATOM 533 CB GLU A 35 2.001 10.384 -6.334 1.00 0.00 C ATOM 534 CG GLU A 35 1.458 11.081 -7.572 1.00 0.00 C ATOM 535 CD GLU A 35 2.372 10.935 -8.772 1.00 0.00 C ATOM 536 OE1 GLU A 35 2.444 9.821 -9.331 1.00 0.00 O ATOM 537 OE2 GLU A 35 3.015 11.936 -9.154 1.00 0.00 O ATOM 0 H GLU A 35 0.478 11.166 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 35 0.295 9.092 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.534 11.112 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.728 9.631 -6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.478 10.671 -7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.316 12.140 -7.355 1.00 0.00 H new ATOM 544 N LEU A 36 2.128 7.710 -4.864 1.00 0.00 N ATOM 545 CA LEU A 36 2.763 6.763 -3.953 1.00 0.00 C ATOM 546 C LEU A 36 4.134 7.268 -3.495 1.00 0.00 C ATOM 547 O LEU A 36 4.496 8.419 -3.740 1.00 0.00 O ATOM 548 CB LEU A 36 2.886 5.384 -4.618 1.00 0.00 C ATOM 549 CG LEU A 36 4.028 5.217 -5.627 1.00 0.00 C ATOM 550 CD1 LEU A 36 3.998 3.818 -6.228 1.00 0.00 C ATOM 551 CD2 LEU A 36 3.946 6.266 -6.727 1.00 0.00 C ATOM 0 H LEU A 36 2.159 7.436 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 36 2.133 6.669 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.009 4.636 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.947 5.163 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 36 4.971 5.356 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.814 3.712 -6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.112 3.079 -5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.047 3.661 -6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.768 6.123 -7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.998 6.166 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.013 7.261 -6.287 1.00 0.00 H new ATOM 563 N HIS A 37 4.871 6.409 -2.796 1.00 0.00 N ATOM 564 CA HIS A 37 6.185 6.764 -2.268 1.00 0.00 C ATOM 565 C HIS A 37 7.219 5.707 -2.618 1.00 0.00 C ATOM 566 O HIS A 37 8.022 5.875 -3.536 1.00 0.00 O ATOM 567 CB HIS A 37 6.109 6.903 -0.748 1.00 0.00 C ATOM 568 CG HIS A 37 7.425 7.207 -0.099 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.989 8.459 -0.168 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.242 6.392 0.614 1.00 0.00 C ATOM 571 CE1 HIS A 37 9.128 8.381 0.499 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.322 7.148 0.988 1.00 0.00 N ATOM 0 H HIS A 37 4.578 5.456 -2.581 1.00 0.00 H new ATOM 0 HA HIS A 37 6.486 7.710 -2.717 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.402 7.694 -0.500 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.713 5.979 -0.328 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.074 5.350 0.842 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.814 9.205 0.633 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.123 6.832 1.535 1.00 0.00 H new ATOM 580 N LYS A 38 7.176 4.610 -1.874 1.00 0.00 N ATOM 581 CA LYS A 38 8.112 3.513 -2.054 1.00 0.00 C ATOM 582 C LYS A 38 7.587 2.268 -1.344 1.00 0.00 C ATOM 583 O LYS A 38 7.175 2.329 -0.186 1.00 0.00 O ATOM 584 CB LYS A 38 9.494 3.919 -1.520 1.00 0.00 C ATOM 585 CG LYS A 38 10.181 2.863 -0.671 1.00 0.00 C ATOM 586 CD LYS A 38 10.786 1.766 -1.532 1.00 0.00 C ATOM 587 CE LYS A 38 11.966 1.102 -0.842 1.00 0.00 C ATOM 588 NZ LYS A 38 11.595 0.556 0.492 1.00 0.00 N ATOM 0 H LYS A 38 6.493 4.457 -1.132 1.00 0.00 H new ATOM 0 HA LYS A 38 8.212 3.283 -3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.138 4.162 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.387 4.828 -0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.962 3.329 -0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.462 2.428 0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.026 1.017 -1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.110 2.186 -2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.348 0.297 -1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.773 1.826 -0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.379 -0.018 0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.401 1.341 1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.745 -0.037 0.400 1.00 0.00 H new ATOM 602 N ILE A 39 7.562 1.149 -2.063 1.00 0.00 N ATOM 603 CA ILE A 39 7.008 -0.089 -1.529 1.00 0.00 C ATOM 604 C ILE A 39 8.065 -0.957 -0.850 1.00 0.00 C ATOM 605 O ILE A 39 9.263 -0.801 -1.083 1.00 0.00 O ATOM 606 CB ILE A 39 6.321 -0.901 -2.634 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.548 0.041 -3.564 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.397 -1.940 -2.016 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.564 -0.658 -4.475 1.00 0.00 C ATOM 0 H ILE A 39 7.919 1.075 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 39 6.276 0.202 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 39 7.074 -1.424 -3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.010 0.771 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.260 0.596 -4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.913 -2.513 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.977 -2.613 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.639 -1.440 -1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.059 0.079 -5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.096 -1.368 -5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.827 -1.190 -3.874 1.00 0.00 H new ATOM 621 N ASP A 40 7.598 -1.880 -0.011 1.00 0.00 N ATOM 622 CA ASP A 40 8.480 -2.777 0.727 1.00 0.00 C ATOM 623 C ASP A 40 8.097 -4.235 0.510 1.00 0.00 C ATOM 624 O ASP A 40 6.991 -4.650 0.850 1.00 0.00 O ATOM 625 CB ASP A 40 8.407 -2.462 2.220 1.00 0.00 C ATOM 626 CG ASP A 40 9.772 -2.442 2.879 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.618 -1.618 2.469 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.994 -3.246 3.808 1.00 0.00 O ATOM 0 H ASP A 40 6.606 -2.025 0.174 1.00 0.00 H new ATOM 0 HA ASP A 40 9.494 -2.624 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.926 -1.494 2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.780 -3.204 2.714 1.00 0.00 H new ATOM 633 N GLU A 41 9.029 -5.019 -0.015 1.00 0.00 N ATOM 634 CA GLU A 41 8.792 -6.442 -0.235 1.00 0.00 C ATOM 635 C GLU A 41 9.070 -7.233 1.041 1.00 0.00 C ATOM 636 O GLU A 41 10.087 -7.917 1.152 1.00 0.00 O ATOM 637 CB GLU A 41 9.667 -6.957 -1.378 1.00 0.00 C ATOM 638 CG GLU A 41 11.071 -6.384 -1.362 1.00 0.00 C ATOM 639 CD GLU A 41 12.051 -7.208 -2.175 1.00 0.00 C ATOM 640 OE1 GLU A 41 12.003 -8.452 -2.079 1.00 0.00 O ATOM 641 OE2 GLU A 41 12.866 -6.609 -2.907 1.00 0.00 O ATOM 0 H GLU A 41 9.955 -4.696 -0.296 1.00 0.00 H new ATOM 0 HA GLU A 41 7.746 -6.579 -0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.725 -8.044 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.193 -6.712 -2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.048 -5.366 -1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.422 -6.323 -0.332 1.00 0.00 H new ATOM 648 N GLU A 42 8.175 -7.100 2.016 1.00 0.00 N ATOM 649 CA GLU A 42 8.322 -7.789 3.295 1.00 0.00 C ATOM 650 C GLU A 42 7.468 -9.049 3.336 1.00 0.00 C ATOM 651 O GLU A 42 6.308 -9.025 2.941 1.00 0.00 O ATOM 652 CB GLU A 42 7.929 -6.862 4.445 1.00 0.00 C ATOM 653 CG GLU A 42 9.109 -6.424 5.294 1.00 0.00 C ATOM 654 CD GLU A 42 8.825 -6.520 6.780 1.00 0.00 C ATOM 655 OE1 GLU A 42 8.802 -7.651 7.308 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.628 -5.464 7.416 1.00 0.00 O ATOM 0 H GLU A 42 7.339 -6.520 1.945 1.00 0.00 H new ATOM 0 HA GLU A 42 9.368 -8.075 3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.435 -5.979 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.202 -7.370 5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.975 -7.041 5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.371 -5.396 5.043 1.00 0.00 H new ATOM 663 N PRO A 43 8.027 -10.168 3.826 1.00 0.00 N ATOM 664 CA PRO A 43 7.309 -11.433 3.908 1.00 0.00 C ATOM 665 C PRO A 43 6.503 -11.563 5.191 1.00 0.00 C ATOM 666 O PRO A 43 6.778 -10.887 6.183 1.00 0.00 O ATOM 667 CB PRO A 43 8.427 -12.468 3.857 1.00 0.00 C ATOM 668 CG PRO A 43 9.633 -11.783 4.426 1.00 0.00 C ATOM 669 CD PRO A 43 9.404 -10.290 4.327 1.00 0.00 C ATOM 0 HA PRO A 43 6.573 -11.543 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.169 -13.354 4.437 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.609 -12.799 2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.786 -12.078 5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.530 -12.070 3.877 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.520 -9.804 5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.117 -9.822 3.649 1.00 0.00 H new ATOM 677 N ILE A 44 5.487 -12.416 5.149 1.00 0.00 N ATOM 678 CA ILE A 44 4.593 -12.600 6.283 1.00 0.00 C ATOM 679 C ILE A 44 4.485 -14.069 6.678 1.00 0.00 C ATOM 680 O ILE A 44 5.157 -14.524 7.604 1.00 0.00 O ATOM 681 CB ILE A 44 3.189 -12.056 5.958 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.295 -10.872 4.987 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.462 -11.652 7.233 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.959 -9.647 5.586 1.00 0.00 C ATOM 0 H ILE A 44 5.262 -12.993 4.338 1.00 0.00 H new ATOM 0 HA ILE A 44 5.015 -12.045 7.121 1.00 0.00 H new ATOM 0 HB ILE A 44 2.609 -12.844 5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.857 -11.185 4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.295 -10.602 4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.472 -11.270 6.982 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.362 -12.520 7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.031 -10.876 7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.998 -8.853 4.840 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.386 -9.307 6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.972 -9.899 5.900 1.00 0.00 H new ATOM 696 N ALA A 45 3.619 -14.801 5.984 1.00 0.00 N ATOM 697 CA ALA A 45 3.416 -16.220 6.262 1.00 0.00 C ATOM 698 C ALA A 45 4.656 -17.036 5.902 1.00 0.00 C ATOM 699 O ALA A 45 5.780 -16.535 5.965 1.00 0.00 O ATOM 700 CB ALA A 45 2.196 -16.732 5.512 1.00 0.00 C ATOM 0 H ALA A 45 3.046 -14.435 5.224 1.00 0.00 H new ATOM 0 HA ALA A 45 3.243 -16.337 7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.055 -17.791 5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.314 -16.176 5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.344 -16.596 4.441 1.00 0.00 H new ATOM 706 N PHE A 46 4.449 -18.291 5.514 1.00 0.00 N ATOM 707 CA PHE A 46 5.554 -19.168 5.145 1.00 0.00 C ATOM 708 C PHE A 46 6.168 -18.727 3.822 1.00 0.00 C ATOM 709 O PHE A 46 7.372 -18.869 3.606 1.00 0.00 O ATOM 710 CB PHE A 46 5.072 -20.616 5.037 1.00 0.00 C ATOM 711 CG PHE A 46 4.136 -21.027 6.138 1.00 0.00 C ATOM 712 CD1 PHE A 46 4.575 -21.093 7.452 1.00 0.00 C ATOM 713 CD2 PHE A 46 2.818 -21.349 5.859 1.00 0.00 C ATOM 714 CE1 PHE A 46 3.716 -21.471 8.465 1.00 0.00 C ATOM 715 CE2 PHE A 46 1.954 -21.728 6.869 1.00 0.00 C ATOM 716 CZ PHE A 46 2.403 -21.789 8.174 1.00 0.00 C ATOM 0 H PHE A 46 3.527 -18.723 5.447 1.00 0.00 H new ATOM 0 HA PHE A 46 6.314 -19.105 5.923 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.572 -20.752 4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.937 -21.279 5.042 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.600 -20.846 7.686 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.461 -21.303 4.841 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.070 -21.518 9.484 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.929 -21.976 6.638 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.730 -22.084 8.965 1.00 0.00 H new ATOM 726 N GLY A 47 5.332 -18.176 2.948 1.00 0.00 N ATOM 727 CA GLY A 47 5.807 -17.714 1.657 1.00 0.00 C ATOM 728 C GLY A 47 4.980 -16.569 1.106 1.00 0.00 C ATOM 729 O GLY A 47 5.161 -16.163 -0.042 1.00 0.00 O ATOM 0 H GLY A 47 4.334 -18.041 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.845 -17.396 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.789 -18.543 0.950 1.00 0.00 H new ATOM 733 N LEU A 48 4.063 -16.050 1.919 1.00 0.00 N ATOM 734 CA LEU A 48 3.207 -14.946 1.498 1.00 0.00 C ATOM 735 C LEU A 48 3.837 -13.604 1.859 1.00 0.00 C ATOM 736 O LEU A 48 3.780 -13.170 3.009 1.00 0.00 O ATOM 737 CB LEU A 48 1.817 -15.070 2.134 1.00 0.00 C ATOM 738 CG LEU A 48 1.219 -16.485 2.158 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.288 -16.426 2.371 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.543 -17.238 0.876 1.00 0.00 C ATOM 0 H LEU A 48 3.894 -16.376 2.871 1.00 0.00 H new ATOM 0 HA LEU A 48 3.100 -14.994 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.872 -14.701 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.132 -14.415 1.596 1.00 0.00 H new ATOM 0 HG LEU A 48 1.668 -17.025 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.693 -17.438 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.502 -15.936 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.748 -15.862 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.108 -18.236 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.130 -16.699 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.624 -17.319 0.765 1.00 0.00 H new ATOM 752 N VAL A 49 4.429 -12.952 0.863 1.00 0.00 N ATOM 753 CA VAL A 49 5.096 -11.673 1.073 1.00 0.00 C ATOM 754 C VAL A 49 4.158 -10.498 0.817 1.00 0.00 C ATOM 755 O VAL A 49 3.536 -10.401 -0.241 1.00 0.00 O ATOM 756 CB VAL A 49 6.333 -11.533 0.159 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.914 -10.125 0.236 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.384 -12.571 0.522 1.00 0.00 C ATOM 0 H VAL A 49 4.460 -13.290 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 49 5.410 -11.654 2.117 1.00 0.00 H new ATOM 0 HB VAL A 49 6.017 -11.708 -0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.784 -10.054 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.162 -9.403 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.212 -9.910 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.249 -12.458 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.692 -12.430 1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.966 -13.570 0.401 1.00 0.00 H new ATOM 768 N ALA A 50 4.109 -9.579 1.777 1.00 0.00 N ATOM 769 CA ALA A 50 3.293 -8.381 1.655 1.00 0.00 C ATOM 770 C ALA A 50 4.126 -7.213 1.149 1.00 0.00 C ATOM 771 O ALA A 50 5.355 -7.230 1.234 1.00 0.00 O ATOM 772 CB ALA A 50 2.662 -8.020 2.990 1.00 0.00 C ATOM 0 H ALA A 50 4.629 -9.644 2.652 1.00 0.00 H new ATOM 0 HA ALA A 50 2.501 -8.589 0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.056 -7.121 2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.031 -8.842 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.446 -7.838 3.725 1.00 0.00 H new ATOM 778 N LEU A 51 3.451 -6.206 0.618 1.00 0.00 N ATOM 779 CA LEU A 51 4.125 -5.028 0.097 1.00 0.00 C ATOM 780 C LEU A 51 3.658 -3.779 0.830 1.00 0.00 C ATOM 781 O LEU A 51 2.475 -3.441 0.810 1.00 0.00 O ATOM 782 CB LEU A 51 3.859 -4.891 -1.404 1.00 0.00 C ATOM 783 CG LEU A 51 4.750 -5.753 -2.302 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.532 -7.227 -2.007 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.483 -5.455 -3.768 1.00 0.00 C ATOM 0 H LEU A 51 2.435 -6.181 0.536 1.00 0.00 H new ATOM 0 HA LEU A 51 5.197 -5.142 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.818 -5.148 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.988 -3.846 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 51 5.791 -5.509 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.173 -7.826 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.778 -7.430 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.489 -7.484 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.127 -6.078 -4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.439 -5.668 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.691 -4.404 -3.970 1.00 0.00 H new ATOM 797 N ASN A 52 4.595 -3.099 1.476 1.00 0.00 N ATOM 798 CA ASN A 52 4.280 -1.886 2.213 1.00 0.00 C ATOM 799 C ASN A 52 4.406 -0.676 1.302 1.00 0.00 C ATOM 800 O ASN A 52 5.478 -0.086 1.168 1.00 0.00 O ATOM 801 CB ASN A 52 5.209 -1.740 3.421 1.00 0.00 C ATOM 802 CG ASN A 52 5.497 -3.066 4.103 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.581 -3.272 4.647 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.525 -3.971 4.082 1.00 0.00 N ATOM 0 H ASN A 52 5.579 -3.368 1.504 1.00 0.00 H new ATOM 0 HA ASN A 52 3.253 -1.951 2.572 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.148 -1.290 3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.758 -1.057 4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.663 -4.878 4.528 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.641 -3.759 3.620 1.00 0.00 H new ATOM 811 N VAL A 53 3.297 -0.329 0.667 1.00 0.00 N ATOM 812 CA VAL A 53 3.261 0.777 -0.275 1.00 0.00 C ATOM 813 C VAL A 53 2.972 2.097 0.426 1.00 0.00 C ATOM 814 O VAL A 53 1.830 2.390 0.780 1.00 0.00 O ATOM 815 CB VAL A 53 2.192 0.543 -1.359 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.362 1.530 -2.504 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.246 -0.889 -1.866 1.00 0.00 C ATOM 0 H VAL A 53 2.402 -0.803 0.789 1.00 0.00 H new ATOM 0 HA VAL A 53 4.246 0.830 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 53 1.211 0.708 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.597 1.347 -3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.262 2.547 -2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.349 1.404 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.483 -1.033 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.229 -1.087 -2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.065 -1.575 -1.039 1.00 0.00 H new ATOM 827 N MET A 54 4.010 2.910 0.578 1.00 0.00 N ATOM 828 CA MET A 54 3.871 4.215 1.210 1.00 0.00 C ATOM 829 C MET A 54 3.436 5.255 0.187 1.00 0.00 C ATOM 830 O MET A 54 3.497 5.011 -1.017 1.00 0.00 O ATOM 831 CB MET A 54 5.192 4.638 1.859 1.00 0.00 C ATOM 832 CG MET A 54 5.598 3.767 3.037 1.00 0.00 C ATOM 833 SD MET A 54 7.334 3.287 2.982 1.00 0.00 S ATOM 834 CE MET A 54 7.442 2.240 4.431 1.00 0.00 C ATOM 0 H MET A 54 4.957 2.688 0.272 1.00 0.00 H new ATOM 0 HA MET A 54 3.108 4.143 1.985 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.981 4.610 1.108 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.108 5.672 2.194 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.403 4.305 3.965 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.978 2.871 3.052 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.460 1.864 4.533 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.177 2.817 5.317 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.754 1.401 4.326 1.00 0.00 H new ATOM 844 N VAL A 55 2.954 6.395 0.672 1.00 0.00 N ATOM 845 CA VAL A 55 2.477 7.452 -0.211 1.00 0.00 C ATOM 846 C VAL A 55 2.883 8.832 0.302 1.00 0.00 C ATOM 847 O VAL A 55 2.787 9.118 1.496 1.00 0.00 O ATOM 848 CB VAL A 55 0.942 7.396 -0.378 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.482 5.970 -0.633 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.232 7.971 0.840 1.00 0.00 C ATOM 0 H VAL A 55 2.884 6.609 1.667 1.00 0.00 H new ATOM 0 HA VAL A 55 2.943 7.286 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 55 0.680 8.008 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.602 5.952 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.949 5.594 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.768 5.339 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.847 7.917 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.505 7.397 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.528 9.011 0.976 1.00 0.00 H new ATOM 860 N VAL A 56 3.351 9.681 -0.607 1.00 0.00 N ATOM 861 CA VAL A 56 3.757 11.034 -0.247 1.00 0.00 C ATOM 862 C VAL A 56 2.624 12.027 -0.486 1.00 0.00 C ATOM 863 O VAL A 56 2.253 12.291 -1.630 1.00 0.00 O ATOM 864 CB VAL A 56 4.994 11.490 -1.047 1.00 0.00 C ATOM 865 CG1 VAL A 56 5.755 12.562 -0.283 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.896 10.309 -1.368 1.00 0.00 C ATOM 0 H VAL A 56 3.458 9.456 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 56 4.009 11.013 0.813 1.00 0.00 H new ATOM 0 HB VAL A 56 4.654 11.918 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.625 12.873 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.105 13.421 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.082 12.162 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.762 10.655 -1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.230 9.844 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.344 9.580 -1.961 1.00 0.00 H new ATOM 876 N VAL A 57 2.085 12.579 0.595 1.00 0.00 N ATOM 877 CA VAL A 57 1.005 13.555 0.494 1.00 0.00 C ATOM 878 C VAL A 57 1.313 14.795 1.326 1.00 0.00 C ATOM 879 O VAL A 57 1.838 14.697 2.435 1.00 0.00 O ATOM 880 CB VAL A 57 -0.346 12.961 0.943 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.681 11.721 0.129 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.335 12.640 2.429 1.00 0.00 C ATOM 0 H VAL A 57 2.377 12.368 1.549 1.00 0.00 H new ATOM 0 HA VAL A 57 0.928 13.834 -0.557 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.119 13.709 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.637 11.316 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.744 11.985 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.098 10.972 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.300 12.223 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.452 11.915 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.149 13.552 2.997 1.00 0.00 H new ATOM 892 N GLY A 58 1.000 15.963 0.776 1.00 0.00 N ATOM 893 CA GLY A 58 1.259 17.204 1.481 1.00 0.00 C ATOM 894 C GLY A 58 0.718 18.415 0.745 1.00 0.00 C ATOM 895 O GLY A 58 -0.133 19.135 1.265 1.00 0.00 O ATOM 0 H GLY A 58 0.572 16.072 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.809 17.155 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.333 17.320 1.623 1.00 0.00 H new ATOM 899 N ASP A 59 1.218 18.640 -0.466 1.00 0.00 N ATOM 900 CA ASP A 59 0.778 19.772 -1.275 1.00 0.00 C ATOM 901 C ASP A 59 -0.529 19.451 -1.984 1.00 0.00 C ATOM 902 O ASP A 59 -1.204 20.340 -2.503 1.00 0.00 O ATOM 903 CB ASP A 59 1.852 20.149 -2.296 1.00 0.00 C ATOM 904 CG ASP A 59 1.730 21.586 -2.761 1.00 0.00 C ATOM 905 OD1 ASP A 59 1.463 22.464 -1.913 1.00 0.00 O ATOM 906 OD2 ASP A 59 1.901 21.836 -3.973 1.00 0.00 O ATOM 0 H ASP A 59 1.927 18.055 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 59 0.612 20.620 -0.611 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.837 19.995 -1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.780 19.484 -3.157 1.00 0.00 H new ATOM 911 N ALA A 60 -0.873 18.170 -2.002 1.00 0.00 N ATOM 912 CA ALA A 60 -2.106 17.713 -2.628 1.00 0.00 C ATOM 913 C ALA A 60 -3.329 18.208 -1.859 1.00 0.00 C ATOM 914 O ALA A 60 -3.363 19.347 -1.392 1.00 0.00 O ATOM 915 CB ALA A 60 -2.098 16.197 -2.714 1.00 0.00 C ATOM 0 H ALA A 60 -0.312 17.426 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.165 18.127 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.021 15.854 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.246 15.871 -3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.022 15.776 -1.711 1.00 0.00 H new ATOM 921 N GLU A 61 -4.321 17.337 -1.713 1.00 0.00 N ATOM 922 CA GLU A 61 -5.544 17.680 -0.999 1.00 0.00 C ATOM 923 C GLU A 61 -6.103 16.459 -0.280 1.00 0.00 C ATOM 924 O GLU A 61 -5.441 15.426 -0.188 1.00 0.00 O ATOM 925 CB GLU A 61 -6.592 18.234 -1.969 1.00 0.00 C ATOM 926 CG GLU A 61 -6.417 17.755 -3.402 1.00 0.00 C ATOM 927 CD GLU A 61 -6.845 18.794 -4.420 1.00 0.00 C ATOM 928 OE1 GLU A 61 -6.084 19.761 -4.638 1.00 0.00 O ATOM 929 OE2 GLU A 61 -7.940 18.642 -5.000 1.00 0.00 O ATOM 0 H GLU A 61 -4.301 16.386 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.304 18.445 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.584 17.949 -1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.549 19.323 -1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.371 17.496 -3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.998 16.845 -3.551 1.00 0.00 H new ATOM 936 N GLY A 62 -7.329 16.581 0.214 1.00 0.00 N ATOM 937 CA GLY A 62 -7.960 15.469 0.896 1.00 0.00 C ATOM 938 C GLY A 62 -8.550 14.477 -0.085 1.00 0.00 C ATOM 939 O GLY A 62 -9.328 13.601 0.293 1.00 0.00 O ATOM 0 H GLY A 62 -7.895 17.427 0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.228 14.966 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.745 15.843 1.553 1.00 0.00 H new ATOM 943 N GLY A 63 -8.166 14.618 -1.350 1.00 0.00 N ATOM 944 CA GLY A 63 -8.662 13.730 -2.384 1.00 0.00 C ATOM 945 C GLY A 63 -8.104 12.326 -2.265 1.00 0.00 C ATOM 946 O GLY A 63 -8.458 11.445 -3.050 1.00 0.00 O ATOM 0 H GLY A 63 -7.518 15.334 -1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.750 13.690 -2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.405 14.137 -3.362 1.00 0.00 H new ATOM 950 N THR A 64 -7.233 12.110 -1.282 1.00 0.00 N ATOM 951 CA THR A 64 -6.641 10.793 -1.071 1.00 0.00 C ATOM 952 C THR A 64 -7.660 9.847 -0.451 1.00 0.00 C ATOM 953 O THR A 64 -7.386 8.664 -0.257 1.00 0.00 O ATOM 954 CB THR A 64 -5.402 10.887 -0.178 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.771 10.915 1.190 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.552 12.107 -0.453 1.00 0.00 C ATOM 0 H THR A 64 -6.924 12.825 -0.624 1.00 0.00 H new ATOM 0 HA THR A 64 -6.337 10.400 -2.041 1.00 0.00 H new ATOM 0 HB THR A 64 -4.813 10.000 -0.410 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.965 10.973 1.745 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.691 12.109 0.216 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.208 12.085 -1.487 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.143 13.007 -0.286 1.00 0.00 H new ATOM 964 N GLU A 65 -8.837 10.384 -0.144 1.00 0.00 N ATOM 965 CA GLU A 65 -9.924 9.589 0.411 1.00 0.00 C ATOM 966 C GLU A 65 -10.231 8.412 -0.498 1.00 0.00 C ATOM 967 O GLU A 65 -10.757 7.387 -0.063 1.00 0.00 O ATOM 968 CB GLU A 65 -11.173 10.451 0.566 1.00 0.00 C ATOM 969 CG GLU A 65 -11.589 11.159 -0.713 1.00 0.00 C ATOM 970 CD GLU A 65 -13.086 11.390 -0.791 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.673 11.823 0.223 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.670 11.138 -1.865 1.00 0.00 O ATOM 0 H GLU A 65 -9.061 11.371 -0.271 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.618 9.215 1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.996 9.824 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.996 11.196 1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.073 12.117 -0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.271 10.567 -1.571 1.00 0.00 H new ATOM 979 N ALA A 66 -9.872 8.571 -1.763 1.00 0.00 N ATOM 980 CA ALA A 66 -10.105 7.544 -2.770 1.00 0.00 C ATOM 981 C ALA A 66 -9.471 6.220 -2.362 1.00 0.00 C ATOM 982 O ALA A 66 -9.928 5.155 -2.772 1.00 0.00 O ATOM 983 CB ALA A 66 -9.560 7.992 -4.117 1.00 0.00 C ATOM 0 H ALA A 66 -9.414 9.409 -2.120 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.181 7.394 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.741 7.215 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.059 8.911 -4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.488 8.172 -4.034 1.00 0.00 H new ATOM 989 N ALA A 67 -8.446 6.290 -1.519 1.00 0.00 N ATOM 990 CA ALA A 67 -7.768 5.088 -1.048 1.00 0.00 C ATOM 991 C ALA A 67 -8.739 4.201 -0.282 1.00 0.00 C ATOM 992 O ALA A 67 -8.950 3.042 -0.639 1.00 0.00 O ATOM 993 CB ALA A 67 -6.577 5.453 -0.176 1.00 0.00 C ATOM 0 H ALA A 67 -8.068 7.162 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.401 4.535 -1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.084 4.543 0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.873 6.052 -0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.919 6.026 0.686 1.00 0.00 H new ATOM 999 N GLU A 68 -9.359 4.767 0.749 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.340 4.039 1.541 1.00 0.00 C ATOM 1001 C GLU A 68 -11.480 3.552 0.655 1.00 0.00 C ATOM 1002 O GLU A 68 -12.049 2.485 0.886 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.887 4.930 2.657 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.869 5.245 3.742 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.328 4.807 5.119 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.559 3.594 5.310 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -10.455 5.676 6.006 1.00 0.00 O ATOM 0 H GLU A 68 -9.198 5.727 1.054 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.850 3.174 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.243 5.864 2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.749 4.441 3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.926 4.753 3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.675 6.318 3.752 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.821 4.355 -0.352 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.872 3.999 -1.294 1.00 0.00 C ATOM 1016 C GLU A 69 -12.507 2.722 -2.041 1.00 0.00 C ATOM 1017 O GLU A 69 -13.292 1.775 -2.099 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.103 5.139 -2.289 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.430 5.856 -2.097 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.176 6.060 -3.400 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -15.612 5.055 -4.000 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.325 7.227 -3.822 1.00 0.00 O ATOM 0 H GLU A 69 -11.382 5.257 -0.534 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.792 3.827 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.292 5.862 -2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.059 4.740 -3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.053 5.281 -1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.251 6.824 -1.630 1.00 0.00 H new ATOM 1029 N SER A 70 -11.313 2.716 -2.623 1.00 0.00 N ATOM 1030 CA SER A 70 -10.821 1.557 -3.353 1.00 0.00 C ATOM 1031 C SER A 70 -10.642 0.370 -2.417 1.00 0.00 C ATOM 1032 O SER A 70 -10.592 -0.775 -2.858 1.00 0.00 O ATOM 1033 CB SER A 70 -9.493 1.888 -4.041 1.00 0.00 C ATOM 1034 OG SER A 70 -8.392 1.528 -3.225 1.00 0.00 O ATOM 0 H SER A 70 -10.667 3.505 -2.602 1.00 0.00 H new ATOM 0 HA SER A 70 -11.557 1.292 -4.112 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.432 1.361 -4.993 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.451 2.954 -4.264 1.00 0.00 H new ATOM 0 HG SER A 70 -8.472 1.969 -2.354 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.563 0.655 -1.120 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.386 -0.385 -0.113 1.00 0.00 C ATOM 1042 C LEU A 71 -11.674 -1.175 0.079 1.00 0.00 C ATOM 1043 O LEU A 71 -11.645 -2.360 0.417 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.953 0.237 1.217 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.569 -0.186 1.721 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.505 -1.694 1.910 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.483 0.284 0.763 1.00 0.00 C ATOM 0 H LEU A 71 -10.619 1.601 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.609 -1.067 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.967 1.322 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.692 -0.020 1.976 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.398 0.286 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.514 -1.974 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.255 -2.001 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.700 -2.189 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.508 -0.026 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.650 -0.156 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.513 1.371 0.684 1.00 0.00 H new ATOM 1059 N SER A 72 -12.804 -0.511 -0.138 1.00 0.00 N ATOM 1060 CA SER A 72 -14.107 -1.148 -0.006 1.00 0.00 C ATOM 1061 C SER A 72 -14.284 -2.247 -1.050 1.00 0.00 C ATOM 1062 O SER A 72 -15.212 -3.051 -0.971 1.00 0.00 O ATOM 1063 CB SER A 72 -15.215 -0.105 -0.149 1.00 0.00 C ATOM 1064 OG SER A 72 -16.164 -0.218 0.898 1.00 0.00 O ATOM 0 H SER A 72 -12.842 0.472 -0.407 1.00 0.00 H new ATOM 0 HA SER A 72 -14.168 -1.603 0.983 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.780 0.894 -0.143 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.714 -0.230 -1.110 1.00 0.00 H new ATOM 0 HG SER A 72 -16.860 0.462 0.783 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.381 -2.273 -2.025 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.439 -3.275 -3.074 1.00 0.00 C ATOM 1072 C GLY A 73 -12.065 -3.591 -3.629 1.00 0.00 C ATOM 1073 O GLY A 73 -11.927 -4.015 -4.777 1.00 0.00 O ATOM 0 H GLY A 73 -12.606 -1.615 -2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.890 -4.186 -2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.083 -2.921 -3.879 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.051 -3.380 -2.802 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.666 -3.622 -3.188 1.00 0.00 C ATOM 1079 C ILE A 74 -9.376 -5.125 -3.258 1.00 0.00 C ATOM 1080 O ILE A 74 -10.300 -5.938 -3.308 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.701 -2.929 -2.194 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.379 -2.571 -2.880 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.460 -3.796 -0.966 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -6.741 -1.309 -2.340 1.00 0.00 C ATOM 0 H ILE A 74 -11.163 -3.038 -1.848 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.507 -3.199 -4.180 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.171 -2.004 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.682 -3.400 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.554 -2.451 -3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.779 -3.283 -0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.407 -3.981 -0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.021 -4.746 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.809 -1.116 -2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.420 -0.468 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.534 -1.432 -1.277 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.094 -5.485 -3.265 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.683 -6.884 -3.315 1.00 0.00 C ATOM 1098 C GLU A 75 -8.388 -7.693 -2.225 1.00 0.00 C ATOM 1099 O GLU A 75 -7.968 -7.700 -1.068 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.161 -6.979 -3.154 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.607 -6.058 -2.080 1.00 0.00 C ATOM 1102 CD GLU A 75 -4.816 -4.897 -2.653 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -4.533 -4.914 -3.869 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.478 -3.972 -1.884 1.00 0.00 O ATOM 0 H GLU A 75 -7.319 -4.822 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.966 -7.301 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.892 -8.008 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.687 -6.740 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.430 -5.670 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.967 -6.632 -1.410 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.483 -8.349 -2.606 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.275 -9.118 -1.658 1.00 0.00 C ATOM 1113 C GLY A 76 -9.510 -10.265 -1.026 1.00 0.00 C ATOM 1114 O GLY A 76 -9.773 -10.634 0.120 1.00 0.00 O ATOM 0 H GLY A 76 -9.838 -8.361 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.634 -8.453 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.154 -9.514 -2.167 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.563 -10.829 -1.766 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.762 -11.939 -1.259 1.00 0.00 C ATOM 1120 C VAL A 77 -6.579 -11.421 -0.465 1.00 0.00 C ATOM 1121 O VAL A 77 -6.177 -12.019 0.531 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.242 -12.830 -2.401 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.659 -14.121 -1.846 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -8.352 -13.117 -3.400 1.00 0.00 C ATOM 0 H VAL A 77 -8.331 -10.538 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.410 -12.534 -0.615 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.447 -12.298 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.296 -14.739 -2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.833 -13.888 -1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.430 -14.662 -1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.967 -13.748 -4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.171 -13.630 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.715 -12.179 -3.820 1.00 0.00 H new ATOM 1134 N SER A 78 -6.060 -10.276 -0.883 1.00 0.00 N ATOM 1135 CA SER A 78 -4.928 -9.665 -0.212 1.00 0.00 C ATOM 1136 C SER A 78 -5.396 -8.627 0.795 1.00 0.00 C ATOM 1137 O SER A 78 -5.562 -7.456 0.457 1.00 0.00 O ATOM 1138 CB SER A 78 -3.989 -9.008 -1.231 1.00 0.00 C ATOM 1139 OG SER A 78 -3.075 -8.135 -0.592 1.00 0.00 O ATOM 0 H SER A 78 -6.408 -9.752 -1.686 1.00 0.00 H new ATOM 0 HA SER A 78 -4.387 -10.450 0.316 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.442 -9.778 -1.775 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.574 -8.454 -1.965 1.00 0.00 H new ATOM 0 HG SER A 78 -3.090 -7.263 -1.038 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.603 -9.050 2.039 1.00 0.00 N ATOM 1146 CA ASN A 79 -5.997 -8.107 3.077 1.00 0.00 C ATOM 1147 C ASN A 79 -4.790 -7.302 3.478 1.00 0.00 C ATOM 1148 O ASN A 79 -3.705 -7.844 3.695 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.588 -8.792 4.308 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.564 -7.890 5.062 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -8.653 -8.327 5.432 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.188 -6.622 5.296 1.00 0.00 N ATOM 0 H ASN A 79 -5.507 -10.018 2.347 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.779 -7.467 2.667 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.102 -9.703 4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.781 -9.090 4.977 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.813 -5.989 5.795 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.278 -6.293 4.975 1.00 0.00 H new ATOM 1159 N ILE A 80 -4.975 -6.008 3.552 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.883 -5.115 3.821 1.00 0.00 C ATOM 1161 C ILE A 80 -3.849 -4.654 5.266 1.00 0.00 C ATOM 1162 O ILE A 80 -4.886 -4.476 5.904 1.00 0.00 O ATOM 1163 CB ILE A 80 -3.990 -3.881 2.922 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.231 -4.293 1.471 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.745 -3.035 3.046 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.673 -4.150 1.034 1.00 0.00 C ATOM 0 H ILE A 80 -5.878 -5.550 3.429 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.966 -5.669 3.619 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.842 -3.284 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.601 -3.687 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.921 -5.330 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.834 -2.160 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.626 -2.713 4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.876 -3.620 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.770 -4.460 -0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.307 -4.777 1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.982 -3.109 1.133 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.640 -4.405 5.750 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.449 -3.828 7.060 1.00 0.00 C ATOM 1180 C GLU A 81 -2.537 -2.327 6.892 1.00 0.00 C ATOM 1181 O GLU A 81 -1.531 -1.616 6.913 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.096 -4.234 7.648 1.00 0.00 C ATOM 1183 CG GLU A 81 -0.862 -3.709 9.056 1.00 0.00 C ATOM 1184 CD GLU A 81 0.590 -3.810 9.484 1.00 0.00 C ATOM 1185 OE1 GLU A 81 1.258 -4.789 9.092 1.00 0.00 O ATOM 1186 OE2 GLU A 81 1.057 -2.909 10.212 1.00 0.00 O ATOM 0 H GLU A 81 -1.775 -4.598 5.245 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.209 -4.186 7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.025 -5.322 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.302 -3.869 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.181 -2.668 9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.483 -4.268 9.756 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.750 -1.881 6.599 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.015 -0.489 6.297 1.00 0.00 C ATOM 1195 C VAL A 82 -4.110 0.332 7.577 1.00 0.00 C ATOM 1196 O VAL A 82 -5.115 0.991 7.851 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.317 -0.366 5.478 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.595 1.087 5.120 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.236 -1.217 4.224 1.00 0.00 C ATOM 0 H VAL A 82 -4.577 -2.478 6.565 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.188 -0.098 5.705 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.142 -0.729 6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.518 1.149 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.698 1.673 6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.769 1.480 4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.162 -1.119 3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.399 -0.883 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.089 -2.261 4.501 1.00 0.00 H new ATOM 1209 N THR A 83 -3.066 0.234 8.390 1.00 0.00 N ATOM 1210 CA THR A 83 -3.007 0.960 9.647 1.00 0.00 C ATOM 1211 C THR A 83 -1.663 1.660 9.828 1.00 0.00 C ATOM 1212 O THR A 83 -1.406 2.244 10.882 1.00 0.00 O ATOM 1213 CB THR A 83 -3.254 0.005 10.816 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.217 -0.974 10.468 1.00 0.00 O ATOM 1215 CG2 THR A 83 -3.739 0.704 12.066 1.00 0.00 C ATOM 0 H THR A 83 -2.247 -0.344 8.198 1.00 0.00 H new ATOM 0 HA THR A 83 -3.785 1.723 9.627 1.00 0.00 H new ATOM 0 HB THR A 83 -2.287 -0.451 11.027 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.360 -1.576 11.228 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.895 -0.030 12.856 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.994 1.432 12.388 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.678 1.215 11.856 1.00 0.00 H new ATOM 1223 N ASP A 84 -0.767 1.529 8.849 1.00 0.00 N ATOM 1224 CA ASP A 84 0.544 2.143 8.957 1.00 0.00 C ATOM 1225 C ASP A 84 0.507 3.587 8.479 1.00 0.00 C ATOM 1226 O ASP A 84 -0.102 3.898 7.457 1.00 0.00 O ATOM 1227 CB ASP A 84 1.571 1.333 8.168 1.00 0.00 C ATOM 1228 CG ASP A 84 2.999 1.700 8.526 1.00 0.00 C ATOM 1229 OD1 ASP A 84 3.339 2.901 8.463 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.778 0.786 8.869 1.00 0.00 O ATOM 0 H ASP A 84 -0.927 1.009 7.986 1.00 0.00 H new ATOM 0 HA ASP A 84 0.840 2.148 10.006 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.414 0.271 8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.414 1.494 7.101 1.00 0.00 H new ATOM 1235 N VAL A 85 1.162 4.466 9.228 1.00 0.00 N ATOM 1236 CA VAL A 85 1.186 5.882 8.895 1.00 0.00 C ATOM 1237 C VAL A 85 2.496 6.532 9.329 1.00 0.00 C ATOM 1238 O VAL A 85 3.197 6.023 10.206 1.00 0.00 O ATOM 1239 CB VAL A 85 0.001 6.623 9.548 1.00 0.00 C ATOM 1240 CG1 VAL A 85 0.260 6.868 11.028 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -0.278 7.930 8.822 1.00 0.00 C ATOM 0 H VAL A 85 1.683 4.221 10.070 1.00 0.00 H new ATOM 0 HA VAL A 85 1.100 5.959 7.811 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.883 5.991 9.464 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.590 7.392 11.464 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.398 5.914 11.536 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.158 7.474 11.145 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.117 8.438 9.297 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.605 8.567 8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.522 7.723 7.780 1.00 0.00 H new ATOM 1251 N ARG A 86 2.822 7.656 8.700 1.00 0.00 N ATOM 1252 CA ARG A 86 4.047 8.389 9.004 1.00 0.00 C ATOM 1253 C ARG A 86 3.813 9.889 8.861 1.00 0.00 C ATOM 1254 O ARG A 86 4.127 10.478 7.829 1.00 0.00 O ATOM 1255 CB ARG A 86 5.185 7.962 8.067 1.00 0.00 C ATOM 1256 CG ARG A 86 5.196 6.482 7.726 1.00 0.00 C ATOM 1257 CD ARG A 86 6.422 5.791 8.301 1.00 0.00 C ATOM 1258 NE ARG A 86 6.487 4.383 7.919 1.00 0.00 N ATOM 1259 CZ ARG A 86 6.383 3.379 8.783 1.00 0.00 C ATOM 1260 NH1 ARG A 86 6.212 3.625 10.075 1.00 0.00 N ATOM 1261 NH2 ARG A 86 6.451 2.125 8.356 1.00 0.00 N ATOM 0 H ARG A 86 2.250 8.082 7.971 1.00 0.00 H new ATOM 0 HA ARG A 86 4.330 8.160 10.031 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.112 8.535 7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.137 8.223 8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.294 6.010 8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.179 6.356 6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.321 6.302 7.956 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.407 5.871 9.388 1.00 0.00 H new ATOM 0 HE ARG A 86 6.620 4.158 6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.160 4.588 10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.133 2.852 10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.583 1.931 7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.371 1.355 9.020 1.00 0.00 H new ATOM 1275 N ARG A 87 3.237 10.499 9.889 1.00 0.00 N ATOM 1276 CA ARG A 87 2.947 11.927 9.860 1.00 0.00 C ATOM 1277 C ARG A 87 4.196 12.755 10.158 1.00 0.00 C ATOM 1278 O ARG A 87 4.355 13.274 11.263 1.00 0.00 O ATOM 1279 CB ARG A 87 1.847 12.262 10.869 1.00 0.00 C ATOM 1280 CG ARG A 87 0.466 11.792 10.441 1.00 0.00 C ATOM 1281 CD ARG A 87 -0.469 12.963 10.188 1.00 0.00 C ATOM 1282 NE ARG A 87 -1.637 12.930 11.063 1.00 0.00 N ATOM 1283 CZ ARG A 87 -2.280 14.018 11.478 1.00 0.00 C ATOM 1284 NH1 ARG A 87 -1.868 15.221 11.101 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -3.335 13.903 12.273 1.00 0.00 N ATOM 0 H ARG A 87 2.962 10.029 10.751 1.00 0.00 H new ATOM 0 HA ARG A 87 2.605 12.178 8.856 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.095 11.808 11.829 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.823 13.341 11.023 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.550 11.190 9.536 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.044 11.149 11.213 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.071 13.897 10.340 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.795 12.948 9.148 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.980 12.021 11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.056 15.314 10.491 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.363 16.053 11.421 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.654 12.980 12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.828 14.738 12.591 1.00 0.00 H new ATOM 1299 N LEU A 88 5.081 12.882 9.168 1.00 0.00 N ATOM 1300 CA LEU A 88 6.297 13.673 9.341 1.00 0.00 C ATOM 1301 C LEU A 88 6.010 15.149 9.113 1.00 0.00 C ATOM 1302 O LEU A 88 6.083 15.634 7.982 1.00 0.00 O ATOM 1303 CB LEU A 88 7.413 13.227 8.391 1.00 0.00 C ATOM 1304 CG LEU A 88 7.130 11.978 7.559 1.00 0.00 C ATOM 1305 CD1 LEU A 88 8.236 11.769 6.536 1.00 0.00 C ATOM 1306 CD2 LEU A 88 6.993 10.763 8.456 1.00 0.00 C ATOM 0 H LEU A 88 4.980 12.452 8.249 1.00 0.00 H new ATOM 0 HA LEU A 88 6.634 13.514 10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.633 14.050 7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.314 13.050 8.979 1.00 0.00 H new ATOM 0 HG LEU A 88 6.188 12.116 7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.024 10.876 5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.289 12.634 5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.189 11.647 7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.792 9.882 7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.918 10.615 9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.170 10.917 9.154 1.00 0.00 H new ATOM 1318 N MET A 89 5.688 15.857 10.190 1.00 0.00 N ATOM 1319 CA MET A 89 5.390 17.282 10.108 1.00 0.00 C ATOM 1320 C MET A 89 6.644 18.114 10.353 1.00 0.00 C ATOM 1321 O MET A 89 6.757 19.204 9.754 1.00 0.00 O ATOM 1322 CB MET A 89 4.308 17.661 11.122 1.00 0.00 C ATOM 1323 CG MET A 89 3.223 16.606 11.283 1.00 0.00 C ATOM 1324 SD MET A 89 1.566 17.265 11.014 1.00 0.00 S ATOM 1325 CE MET A 89 1.477 17.241 9.225 1.00 0.00 C ATOM 1326 OXT MET A 89 7.503 17.668 11.143 1.00 0.00 O ATOM 0 H MET A 89 5.627 15.467 11.131 1.00 0.00 H new ATOM 0 HA MET A 89 5.024 17.492 9.103 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.776 17.838 12.090 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.847 18.599 10.814 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.405 15.793 10.580 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.282 16.180 12.285 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.507 17.621 8.904 1.00 0.00 H new ATOM 0 HE2 MET A 89 2.267 17.868 8.813 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.602 16.219 8.868 1.00 0.00 H new TER 1336 MET A 89