USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 603 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 28 ASN : amide:sc= -0.354 K(o=-0.65,f=-1.6) USER MOD Set 1.2: A 30 ASN : amide:sc= -0.292 X(o=-0.65,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.0747 (180deg=-0.453) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.853 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.391) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 146:sc= -0.885 (180deg=-2.51!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc=-0.00428 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -160:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= 0.0478 (180deg=-0.573) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -6.87! C(o=-6.9!,f=-8.3!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.306 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 67:sc= 0.972 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0962 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.948 15.095 1.857 1.00 0.00 N ATOM 2 CA MET A 1 13.264 14.764 0.575 1.00 0.00 C ATOM 3 C MET A 1 14.300 14.311 -0.456 1.00 0.00 C ATOM 4 O MET A 1 14.243 13.209 -0.965 1.00 0.00 O ATOM 5 CB MET A 1 12.533 16.002 0.051 1.00 0.00 C ATOM 6 CG MET A 1 11.310 16.283 0.925 1.00 0.00 C ATOM 7 SD MET A 1 10.769 17.992 0.674 1.00 0.00 S ATOM 8 CE MET A 1 9.061 17.776 1.232 1.00 0.00 C ATOM 0 H1 MET A 1 13.278 14.989 2.645 1.00 0.00 H new ATOM 0 H2 MET A 1 14.753 14.451 1.997 1.00 0.00 H new ATOM 0 H3 MET A 1 14.291 16.076 1.824 1.00 0.00 H new ATOM 0 HA MET A 1 12.546 13.962 0.745 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.203 16.862 0.057 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.226 15.845 -0.983 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.504 15.594 0.673 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.554 16.118 1.974 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.532 18.726 1.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.564 17.036 0.605 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.057 17.436 2.268 1.00 0.00 H new ATOM 20 N THR A 2 15.247 15.153 -0.770 1.00 0.00 N ATOM 21 CA THR A 2 16.284 14.769 -1.769 1.00 0.00 C ATOM 22 C THR A 2 15.660 14.749 -3.166 1.00 0.00 C ATOM 23 O THR A 2 15.007 13.800 -3.551 1.00 0.00 O ATOM 24 CB THR A 2 16.827 13.378 -1.433 1.00 0.00 C ATOM 25 OG1 THR A 2 16.704 13.149 -0.035 1.00 0.00 O ATOM 26 CG2 THR A 2 18.299 13.291 -1.839 1.00 0.00 C ATOM 0 H THR A 2 15.347 16.089 -0.378 1.00 0.00 H new ATOM 0 HA THR A 2 17.099 15.492 -1.744 1.00 0.00 H new ATOM 0 HB THR A 2 16.258 12.624 -1.977 1.00 0.00 H new ATOM 0 HG1 THR A 2 17.050 12.258 0.182 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.685 12.300 -1.599 1.00 0.00 H new ATOM 0 HG22 THR A 2 18.392 13.467 -2.911 1.00 0.00 H new ATOM 0 HG23 THR A 2 18.871 14.044 -1.297 1.00 0.00 H new ATOM 34 N PHE A 3 15.852 15.792 -3.927 1.00 0.00 N ATOM 35 CA PHE A 3 15.266 15.833 -5.296 1.00 0.00 C ATOM 36 C PHE A 3 16.067 14.919 -6.226 1.00 0.00 C ATOM 37 O PHE A 3 16.959 15.355 -6.926 1.00 0.00 O ATOM 38 CB PHE A 3 15.309 17.268 -5.825 1.00 0.00 C ATOM 39 CG PHE A 3 13.997 17.951 -5.522 1.00 0.00 C ATOM 40 CD1 PHE A 3 13.304 17.641 -4.346 1.00 0.00 C ATOM 41 CD2 PHE A 3 13.472 18.891 -6.416 1.00 0.00 C ATOM 42 CE1 PHE A 3 12.086 18.271 -4.064 1.00 0.00 C ATOM 43 CE2 PHE A 3 12.254 19.521 -6.135 1.00 0.00 C ATOM 44 CZ PHE A 3 11.561 19.211 -4.958 1.00 0.00 C ATOM 0 H PHE A 3 16.389 16.617 -3.660 1.00 0.00 H new ATOM 0 HA PHE A 3 14.232 15.490 -5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 3 16.132 17.814 -5.363 1.00 0.00 H new ATOM 0 HB3 PHE A 3 15.492 17.266 -6.900 1.00 0.00 H new ATOM 0 HD1 PHE A 3 13.709 16.916 -3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 3 14.007 19.130 -7.323 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.552 18.032 -3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.849 20.246 -6.826 1.00 0.00 H new ATOM 0 HZ PHE A 3 10.622 19.697 -4.740 1.00 0.00 H new ATOM 54 N ILE A 4 15.750 13.653 -6.240 1.00 0.00 N ATOM 55 CA ILE A 4 16.487 12.709 -7.125 1.00 0.00 C ATOM 56 C ILE A 4 15.681 11.417 -7.269 1.00 0.00 C ATOM 57 O ILE A 4 14.917 11.050 -6.398 1.00 0.00 O ATOM 58 CB ILE A 4 17.854 12.394 -6.515 1.00 0.00 C ATOM 59 CG1 ILE A 4 18.708 11.649 -7.543 1.00 0.00 C ATOM 60 CG2 ILE A 4 17.671 11.519 -5.275 1.00 0.00 C ATOM 61 CD1 ILE A 4 20.140 11.521 -7.021 1.00 0.00 C ATOM 0 H ILE A 4 15.012 13.232 -5.676 1.00 0.00 H new ATOM 0 HA ILE A 4 16.627 13.164 -8.106 1.00 0.00 H new ATOM 0 HB ILE A 4 18.349 13.323 -6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 4 18.289 10.661 -7.732 1.00 0.00 H new ATOM 0 HG13 ILE A 4 18.702 12.184 -8.492 1.00 0.00 H new ATOM 0 HG21 ILE A 4 18.645 11.295 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 4 17.061 12.048 -4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 4 17.176 10.589 -5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 4 20.748 10.990 -7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 4 20.557 12.514 -6.855 1.00 0.00 H new ATOM 0 HD13 ILE A 4 20.137 10.967 -6.082 1.00 0.00 H new ATOM 73 N THR A 5 15.839 10.727 -8.365 1.00 0.00 N ATOM 74 CA THR A 5 15.078 9.461 -8.567 1.00 0.00 C ATOM 75 C THR A 5 15.524 8.419 -7.538 1.00 0.00 C ATOM 76 O THR A 5 16.538 7.768 -7.699 1.00 0.00 O ATOM 77 CB THR A 5 15.340 8.930 -9.978 1.00 0.00 C ATOM 78 OG1 THR A 5 15.839 9.982 -10.792 1.00 0.00 O ATOM 79 CG2 THR A 5 14.037 8.394 -10.574 1.00 0.00 C ATOM 0 H THR A 5 16.462 10.985 -9.130 1.00 0.00 H new ATOM 0 HA THR A 5 14.013 9.656 -8.442 1.00 0.00 H new ATOM 0 HB THR A 5 16.074 8.125 -9.934 1.00 0.00 H new ATOM 0 HG1 THR A 5 16.009 9.644 -11.696 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.225 8.016 -11.579 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.656 7.587 -9.948 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.301 9.196 -10.620 1.00 0.00 H new ATOM 87 N LYS A 6 14.772 8.253 -6.484 1.00 0.00 N ATOM 88 CA LYS A 6 15.151 7.250 -5.447 1.00 0.00 C ATOM 89 C LYS A 6 13.902 6.492 -4.993 1.00 0.00 C ATOM 90 O LYS A 6 12.920 6.411 -5.705 1.00 0.00 O ATOM 91 CB LYS A 6 15.776 7.965 -4.248 1.00 0.00 C ATOM 92 CG LYS A 6 16.962 7.149 -3.730 1.00 0.00 C ATOM 93 CD LYS A 6 18.120 7.245 -4.724 1.00 0.00 C ATOM 94 CE LYS A 6 19.416 7.547 -3.970 1.00 0.00 C ATOM 95 NZ LYS A 6 19.477 9.001 -3.648 1.00 0.00 N ATOM 0 H LYS A 6 13.912 8.768 -6.296 1.00 0.00 H new ATOM 0 HA LYS A 6 15.872 6.548 -5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.106 8.963 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.035 8.091 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.275 7.521 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.670 6.108 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.218 6.310 -5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.921 8.028 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.462 6.959 -3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.276 7.261 -4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.111 9.151 -2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.838 9.524 -4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.524 9.344 -3.410 1.00 0.00 H new ATOM 109 N THR A 7 13.930 5.935 -3.813 1.00 0.00 N ATOM 110 CA THR A 7 12.745 5.183 -3.316 1.00 0.00 C ATOM 111 C THR A 7 11.921 6.082 -2.385 1.00 0.00 C ATOM 112 O THR A 7 12.473 6.817 -1.592 1.00 0.00 O ATOM 113 CB THR A 7 13.212 3.946 -2.546 1.00 0.00 C ATOM 114 OG1 THR A 7 13.741 4.344 -1.288 1.00 0.00 O ATOM 115 CG2 THR A 7 14.292 3.221 -3.349 1.00 0.00 C ATOM 0 H THR A 7 14.723 5.969 -3.172 1.00 0.00 H new ATOM 0 HA THR A 7 12.130 4.875 -4.162 1.00 0.00 H new ATOM 0 HB THR A 7 12.367 3.275 -2.389 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.039 3.552 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.624 2.340 -2.800 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.885 2.916 -4.313 1.00 0.00 H new ATOM 0 HG23 THR A 7 15.138 3.890 -3.508 1.00 0.00 H new ATOM 123 N PRO A 8 10.620 5.995 -2.510 1.00 0.00 N ATOM 124 CA PRO A 8 9.689 6.790 -1.691 1.00 0.00 C ATOM 125 C PRO A 8 9.536 6.168 -0.297 1.00 0.00 C ATOM 126 O PRO A 8 10.046 5.097 -0.038 1.00 0.00 O ATOM 127 CB PRO A 8 8.372 6.712 -2.469 1.00 0.00 C ATOM 128 CG PRO A 8 8.461 5.446 -3.354 1.00 0.00 C ATOM 129 CD PRO A 8 9.956 5.099 -3.480 1.00 0.00 C ATOM 0 HA PRO A 8 10.026 7.814 -1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.522 6.651 -1.789 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.228 7.603 -3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.908 4.620 -2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.022 5.628 -4.335 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.142 4.051 -3.246 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.320 5.269 -4.493 1.00 0.00 H new ATOM 137 N PRO A 9 8.830 6.865 0.557 1.00 0.00 N ATOM 138 CA PRO A 9 8.579 6.415 1.939 1.00 0.00 C ATOM 139 C PRO A 9 7.505 5.322 1.956 1.00 0.00 C ATOM 140 O PRO A 9 6.643 5.277 1.104 1.00 0.00 O ATOM 141 CB PRO A 9 8.088 7.681 2.645 1.00 0.00 C ATOM 142 CG PRO A 9 7.555 8.619 1.537 1.00 0.00 C ATOM 143 CD PRO A 9 8.214 8.166 0.223 1.00 0.00 C ATOM 0 HA PRO A 9 9.457 5.983 2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.304 7.445 3.365 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.898 8.155 3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.469 8.558 1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.802 9.658 1.757 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.480 8.066 -0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.960 8.884 -0.117 1.00 0.00 H new ATOM 151 N ALA A 10 7.557 4.438 2.915 1.00 0.00 N ATOM 152 CA ALA A 10 6.546 3.343 2.977 1.00 0.00 C ATOM 153 C ALA A 10 5.210 3.885 3.493 1.00 0.00 C ATOM 154 O ALA A 10 4.217 3.880 2.794 1.00 0.00 O ATOM 155 CB ALA A 10 7.047 2.246 3.921 1.00 0.00 C ATOM 0 H ALA A 10 8.255 4.426 3.658 1.00 0.00 H new ATOM 0 HA ALA A 10 6.401 2.935 1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.311 1.443 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.992 1.850 3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.195 2.663 4.917 1.00 0.00 H new ATOM 161 N ALA A 11 5.176 4.338 4.716 1.00 0.00 N ATOM 162 CA ALA A 11 3.904 4.867 5.289 1.00 0.00 C ATOM 163 C ALA A 11 3.168 5.712 4.247 1.00 0.00 C ATOM 164 O ALA A 11 2.057 5.409 3.860 1.00 0.00 O ATOM 165 CB ALA A 11 4.217 5.730 6.512 1.00 0.00 C ATOM 0 H ALA A 11 5.977 4.365 5.346 1.00 0.00 H new ATOM 0 HA ALA A 11 3.271 4.029 5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.288 6.117 6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.730 5.127 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.856 6.562 6.216 1.00 0.00 H new ATOM 171 N VAL A 12 3.772 6.776 3.797 1.00 0.00 N ATOM 172 CA VAL A 12 3.102 7.646 2.789 1.00 0.00 C ATOM 173 C VAL A 12 2.923 6.877 1.474 1.00 0.00 C ATOM 174 O VAL A 12 1.993 7.119 0.730 1.00 0.00 O ATOM 175 CB VAL A 12 3.960 8.894 2.554 1.00 0.00 C ATOM 176 CG1 VAL A 12 3.553 9.574 1.244 1.00 0.00 C ATOM 177 CG2 VAL A 12 3.760 9.872 3.713 1.00 0.00 C ATOM 0 H VAL A 12 4.702 7.082 4.084 1.00 0.00 H new ATOM 0 HA VAL A 12 2.120 7.944 3.157 1.00 0.00 H new ATOM 0 HB VAL A 12 5.008 8.599 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.169 10.459 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.696 8.881 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.504 9.866 1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.369 10.761 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.710 10.158 3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.058 9.395 4.647 1.00 0.00 H new ATOM 187 N LEU A 13 3.801 5.958 1.178 1.00 0.00 N ATOM 188 CA LEU A 13 3.667 5.189 -0.094 1.00 0.00 C ATOM 189 C LEU A 13 2.243 4.642 -0.215 1.00 0.00 C ATOM 190 O LEU A 13 1.525 4.954 -1.144 1.00 0.00 O ATOM 191 CB LEU A 13 4.660 4.023 -0.102 1.00 0.00 C ATOM 192 CG LEU A 13 5.776 4.312 -1.108 1.00 0.00 C ATOM 193 CD1 LEU A 13 6.978 3.414 -0.812 1.00 0.00 C ATOM 194 CD2 LEU A 13 5.269 4.033 -2.525 1.00 0.00 C ATOM 0 H LEU A 13 4.602 5.706 1.758 1.00 0.00 H new ATOM 0 HA LEU A 13 3.878 5.850 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.081 3.882 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.149 3.097 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 13 6.075 5.357 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.772 3.621 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.340 3.611 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.680 2.369 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.063 4.239 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.969 2.988 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.413 4.673 -2.738 1.00 0.00 H new ATOM 206 N LEU A 14 1.831 3.825 0.715 1.00 0.00 N ATOM 207 CA LEU A 14 0.455 3.254 0.654 1.00 0.00 C ATOM 208 C LEU A 14 -0.575 4.385 0.679 1.00 0.00 C ATOM 209 O LEU A 14 -1.612 4.309 0.052 1.00 0.00 O ATOM 210 CB LEU A 14 0.232 2.339 1.860 1.00 0.00 C ATOM 211 CG LEU A 14 0.448 0.883 1.446 1.00 0.00 C ATOM 212 CD1 LEU A 14 1.361 0.195 2.461 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.900 0.161 1.403 1.00 0.00 C ATOM 0 H LEU A 14 2.388 3.528 1.516 1.00 0.00 H new ATOM 0 HA LEU A 14 0.342 2.683 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.919 2.605 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.778 2.471 2.248 1.00 0.00 H new ATOM 0 HG LEU A 14 0.911 0.850 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.515 -0.843 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.321 0.710 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.898 0.227 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.747 -0.877 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.362 0.194 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.553 0.651 0.681 1.00 0.00 H new ATOM 225 N LYS A 15 -0.298 5.432 1.406 1.00 0.00 N ATOM 226 CA LYS A 15 -1.262 6.567 1.479 1.00 0.00 C ATOM 227 C LYS A 15 -1.674 6.989 0.066 1.00 0.00 C ATOM 228 O LYS A 15 -2.827 6.897 -0.307 1.00 0.00 O ATOM 229 CB LYS A 15 -0.599 7.747 2.190 1.00 0.00 C ATOM 230 CG LYS A 15 -0.953 7.709 3.678 1.00 0.00 C ATOM 231 CD LYS A 15 -1.399 9.100 4.132 1.00 0.00 C ATOM 232 CE LYS A 15 -0.202 10.052 4.111 1.00 0.00 C ATOM 233 NZ LYS A 15 -0.132 10.732 2.787 1.00 0.00 N ATOM 0 H LYS A 15 0.555 5.551 1.953 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.148 6.255 2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.482 7.702 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.934 8.686 1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.748 6.985 3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.090 7.384 4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.186 9.473 3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.819 9.049 5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.297 10.791 4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.719 9.500 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.227 11.700 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.507 10.204 2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.082 10.767 2.364 1.00 0.00 H new ATOM 247 N LYS A 16 -0.743 7.455 -0.719 1.00 0.00 N ATOM 248 CA LYS A 16 -1.083 7.889 -2.105 1.00 0.00 C ATOM 249 C LYS A 16 -1.668 6.712 -2.888 1.00 0.00 C ATOM 250 O LYS A 16 -2.354 6.891 -3.875 1.00 0.00 O ATOM 251 CB LYS A 16 0.183 8.384 -2.806 1.00 0.00 C ATOM 252 CG LYS A 16 -0.032 9.815 -3.301 1.00 0.00 C ATOM 253 CD LYS A 16 -1.104 9.822 -4.392 1.00 0.00 C ATOM 254 CE LYS A 16 -0.656 10.726 -5.542 1.00 0.00 C ATOM 255 NZ LYS A 16 -1.684 11.779 -5.776 1.00 0.00 N ATOM 0 H LYS A 16 0.239 7.555 -0.462 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.818 8.693 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.029 8.349 -2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.426 7.731 -3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.336 10.456 -2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.902 10.220 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.273 8.809 -4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.051 10.177 -3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.303 11.186 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.512 10.136 -6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.380 12.394 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.590 11.331 -6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.801 12.348 -4.913 1.00 0.00 H new ATOM 269 N ALA A 17 -1.399 5.510 -2.460 1.00 0.00 N ATOM 270 CA ALA A 17 -1.935 4.322 -3.184 1.00 0.00 C ATOM 271 C ALA A 17 -3.457 4.434 -3.309 1.00 0.00 C ATOM 272 O ALA A 17 -4.020 4.194 -4.359 1.00 0.00 O ATOM 273 CB ALA A 17 -1.578 3.052 -2.409 1.00 0.00 C ATOM 0 H ALA A 17 -0.831 5.298 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.496 4.278 -4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.969 2.182 -2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.494 2.969 -2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.016 3.099 -1.412 1.00 0.00 H new ATOM 279 N ALA A 18 -4.127 4.795 -2.250 1.00 0.00 N ATOM 280 CA ALA A 18 -5.611 4.919 -2.314 1.00 0.00 C ATOM 281 C ALA A 18 -5.986 6.345 -2.722 1.00 0.00 C ATOM 282 O ALA A 18 -6.759 6.557 -3.635 1.00 0.00 O ATOM 283 CB ALA A 18 -6.210 4.607 -0.941 1.00 0.00 C ATOM 0 H ALA A 18 -3.712 5.009 -1.343 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.003 4.215 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.295 4.698 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.943 3.591 -0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.819 5.310 -0.205 1.00 0.00 H new ATOM 289 N GLY A 19 -5.445 7.325 -2.051 1.00 0.00 N ATOM 290 CA GLY A 19 -5.772 8.736 -2.400 1.00 0.00 C ATOM 291 C GLY A 19 -6.617 9.353 -1.286 1.00 0.00 C ATOM 292 O GLY A 19 -7.622 9.989 -1.534 1.00 0.00 O ATOM 0 H GLY A 19 -4.791 7.209 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.855 9.310 -2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.314 8.772 -3.345 1.00 0.00 H new ATOM 296 N ILE A 20 -6.219 9.167 -0.057 1.00 0.00 N ATOM 297 CA ILE A 20 -6.998 9.737 1.072 1.00 0.00 C ATOM 298 C ILE A 20 -7.147 11.248 0.886 1.00 0.00 C ATOM 299 O ILE A 20 -6.266 12.014 1.224 1.00 0.00 O ATOM 300 CB ILE A 20 -6.270 9.458 2.387 1.00 0.00 C ATOM 301 CG1 ILE A 20 -6.068 7.950 2.547 1.00 0.00 C ATOM 302 CG2 ILE A 20 -7.105 9.987 3.553 1.00 0.00 C ATOM 303 CD1 ILE A 20 -5.028 7.689 3.638 1.00 0.00 C ATOM 0 H ILE A 20 -5.386 8.643 0.212 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.985 9.276 1.095 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.300 9.956 2.379 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.012 7.471 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.739 7.514 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.587 9.789 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.250 11.061 3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.075 9.489 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.883 6.615 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.083 8.155 3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.376 8.111 4.581 1.00 0.00 H new ATOM 315 N GLU A 21 -8.255 11.684 0.355 1.00 0.00 N ATOM 316 CA GLU A 21 -8.460 13.145 0.154 1.00 0.00 C ATOM 317 C GLU A 21 -9.950 13.463 0.250 1.00 0.00 C ATOM 318 O GLU A 21 -10.389 14.196 1.113 1.00 0.00 O ATOM 319 CB GLU A 21 -7.933 13.551 -1.224 1.00 0.00 C ATOM 320 CG GLU A 21 -7.450 15.002 -1.176 1.00 0.00 C ATOM 321 CD GLU A 21 -8.597 15.907 -0.723 1.00 0.00 C ATOM 322 OE1 GLU A 21 -9.509 16.110 -1.507 1.00 0.00 O ATOM 323 OE2 GLU A 21 -8.545 16.379 0.400 1.00 0.00 O ATOM 0 H GLU A 21 -9.028 11.091 0.051 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.920 13.700 0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.116 12.894 -1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.718 13.442 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.608 15.094 -0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.095 15.311 -2.159 1.00 0.00 H new ATOM 330 N SER A 22 -10.726 12.910 -0.630 1.00 0.00 N ATOM 331 CA SER A 22 -12.194 13.163 -0.603 1.00 0.00 C ATOM 332 C SER A 22 -12.468 14.637 -0.903 1.00 0.00 C ATOM 333 O SER A 22 -13.057 15.342 -0.109 1.00 0.00 O ATOM 334 CB SER A 22 -12.746 12.815 0.779 1.00 0.00 C ATOM 335 OG SER A 22 -13.552 11.648 0.683 1.00 0.00 O ATOM 0 H SER A 22 -10.409 12.289 -1.374 1.00 0.00 H new ATOM 0 HA SER A 22 -12.680 12.544 -1.357 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.927 12.649 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.334 13.646 1.168 1.00 0.00 H new ATOM 0 HG SER A 22 -13.906 11.421 1.568 1.00 0.00 H new ATOM 341 N GLY A 23 -12.048 15.108 -2.044 1.00 0.00 N ATOM 342 CA GLY A 23 -12.290 16.536 -2.393 1.00 0.00 C ATOM 343 C GLY A 23 -13.405 16.622 -3.434 1.00 0.00 C ATOM 344 O GLY A 23 -14.071 17.630 -3.566 1.00 0.00 O ATOM 0 H GLY A 23 -11.548 14.567 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.566 17.098 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.377 16.986 -2.783 1.00 0.00 H new ATOM 348 N SER A 24 -13.614 15.570 -4.177 1.00 0.00 N ATOM 349 CA SER A 24 -14.686 15.589 -5.211 1.00 0.00 C ATOM 350 C SER A 24 -15.369 14.221 -5.261 1.00 0.00 C ATOM 351 O SER A 24 -14.838 13.234 -4.793 1.00 0.00 O ATOM 352 CB SER A 24 -14.070 15.903 -6.575 1.00 0.00 C ATOM 353 OG SER A 24 -12.770 16.446 -6.389 1.00 0.00 O ATOM 0 H SER A 24 -13.089 14.698 -4.112 1.00 0.00 H new ATOM 0 HA SER A 24 -15.422 16.353 -4.960 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.015 14.998 -7.179 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.698 16.610 -7.116 1.00 0.00 H new ATOM 0 HG SER A 24 -12.372 16.647 -7.261 1.00 0.00 H new ATOM 359 N GLY A 25 -16.544 14.155 -5.825 1.00 0.00 N ATOM 360 CA GLY A 25 -17.259 12.850 -5.906 1.00 0.00 C ATOM 361 C GLY A 25 -17.671 12.399 -4.504 1.00 0.00 C ATOM 362 O GLY A 25 -18.505 13.011 -3.867 1.00 0.00 O ATOM 0 H GLY A 25 -17.039 14.948 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.140 12.946 -6.541 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.615 12.100 -6.365 1.00 0.00 H new ATOM 366 N GLU A 26 -17.093 11.329 -4.024 1.00 0.00 N ATOM 367 CA GLU A 26 -17.445 10.823 -2.666 1.00 0.00 C ATOM 368 C GLU A 26 -17.627 12.000 -1.700 1.00 0.00 C ATOM 369 O GLU A 26 -16.661 12.549 -1.210 1.00 0.00 O ATOM 370 CB GLU A 26 -16.319 9.922 -2.154 1.00 0.00 C ATOM 371 CG GLU A 26 -16.867 8.519 -1.888 1.00 0.00 C ATOM 372 CD GLU A 26 -16.057 7.495 -2.685 1.00 0.00 C ATOM 373 OE1 GLU A 26 -14.968 7.837 -3.116 1.00 0.00 O ATOM 374 OE2 GLU A 26 -16.540 6.388 -2.852 1.00 0.00 O ATOM 0 H GLU A 26 -16.388 10.781 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 26 -18.375 10.258 -2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.514 9.876 -2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.894 10.337 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.813 8.292 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.918 8.468 -2.172 1.00 0.00 H new ATOM 381 N PRO A 27 -18.865 12.351 -1.452 1.00 0.00 N ATOM 382 CA PRO A 27 -19.206 13.459 -0.544 1.00 0.00 C ATOM 383 C PRO A 27 -19.100 12.997 0.912 1.00 0.00 C ATOM 384 O PRO A 27 -19.209 11.824 1.209 1.00 0.00 O ATOM 385 CB PRO A 27 -20.655 13.788 -0.907 1.00 0.00 C ATOM 386 CG PRO A 27 -21.238 12.517 -1.571 1.00 0.00 C ATOM 387 CD PRO A 27 -20.037 11.681 -2.053 1.00 0.00 C ATOM 0 HA PRO A 27 -18.543 14.319 -0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -21.226 14.059 -0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -20.702 14.638 -1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -21.843 11.952 -0.862 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -21.887 12.779 -2.406 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -20.115 10.645 -1.724 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -19.973 11.666 -3.141 1.00 0.00 H new ATOM 395 N ASN A 28 -18.890 13.907 1.822 1.00 0.00 N ATOM 396 CA ASN A 28 -18.781 13.510 3.254 1.00 0.00 C ATOM 397 C ASN A 28 -17.603 12.544 3.423 1.00 0.00 C ATOM 398 O ASN A 28 -17.263 11.800 2.525 1.00 0.00 O ATOM 399 CB ASN A 28 -20.086 12.829 3.689 1.00 0.00 C ATOM 400 CG ASN A 28 -19.844 11.966 4.932 1.00 0.00 C ATOM 401 OD1 ASN A 28 -19.477 10.812 4.821 1.00 0.00 O ATOM 402 ND2 ASN A 28 -20.033 12.477 6.117 1.00 0.00 N ATOM 0 H ASN A 28 -18.789 14.905 1.637 1.00 0.00 H new ATOM 0 HA ASN A 28 -18.612 14.391 3.873 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -20.844 13.582 3.902 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -20.470 12.211 2.877 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -19.873 11.909 6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -20.341 13.445 6.212 1.00 0.00 H new ATOM 409 N ARG A 29 -16.982 12.549 4.571 1.00 0.00 N ATOM 410 CA ARG A 29 -15.832 11.632 4.801 1.00 0.00 C ATOM 411 C ARG A 29 -16.336 10.316 5.395 1.00 0.00 C ATOM 412 O ARG A 29 -17.180 10.301 6.269 1.00 0.00 O ATOM 413 CB ARG A 29 -14.850 12.280 5.764 1.00 0.00 C ATOM 414 CG ARG A 29 -13.467 12.350 5.117 1.00 0.00 C ATOM 415 CD ARG A 29 -12.490 13.034 6.075 1.00 0.00 C ATOM 416 NE ARG A 29 -12.404 14.484 5.744 1.00 0.00 N ATOM 417 CZ ARG A 29 -13.479 15.224 5.764 1.00 0.00 C ATOM 418 NH1 ARG A 29 -14.193 15.310 6.853 1.00 0.00 N ATOM 419 NH2 ARG A 29 -13.840 15.879 4.695 1.00 0.00 N ATOM 0 H ARG A 29 -17.222 13.149 5.360 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.333 11.433 3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -15.190 13.281 6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.801 11.707 6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.115 11.347 4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.520 12.903 4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.823 12.904 7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.505 12.573 5.998 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.504 14.899 5.502 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.911 14.799 7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.033 15.889 6.868 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.282 15.813 3.844 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.680 16.457 4.711 1.00 0.00 H new ATOM 433 N ASN A 30 -15.828 9.210 4.927 1.00 0.00 N ATOM 434 CA ASN A 30 -16.280 7.897 5.464 1.00 0.00 C ATOM 435 C ASN A 30 -15.357 6.790 4.955 1.00 0.00 C ATOM 436 O ASN A 30 -15.763 5.657 4.791 1.00 0.00 O ATOM 437 CB ASN A 30 -17.709 7.624 4.994 1.00 0.00 C ATOM 438 CG ASN A 30 -17.711 7.386 3.484 1.00 0.00 C ATOM 439 OD1 ASN A 30 -17.605 6.262 3.033 1.00 0.00 O ATOM 440 ND2 ASN A 30 -17.826 8.404 2.676 1.00 0.00 N ATOM 0 H ASN A 30 -15.119 9.159 4.195 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.250 7.920 6.553 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -18.113 6.754 5.511 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -18.352 8.469 5.241 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -17.827 8.256 1.667 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -17.915 9.347 3.054 1.00 0.00 H new ATOM 447 N LYS A 31 -14.117 7.106 4.703 1.00 0.00 N ATOM 448 CA LYS A 31 -13.173 6.068 4.206 1.00 0.00 C ATOM 449 C LYS A 31 -13.105 4.922 5.217 1.00 0.00 C ATOM 450 O LYS A 31 -12.579 5.068 6.302 1.00 0.00 O ATOM 451 CB LYS A 31 -11.782 6.682 4.035 1.00 0.00 C ATOM 452 CG LYS A 31 -10.957 5.816 3.083 1.00 0.00 C ATOM 453 CD LYS A 31 -10.648 6.605 1.810 1.00 0.00 C ATOM 454 CE LYS A 31 -11.930 7.254 1.285 1.00 0.00 C ATOM 455 NZ LYS A 31 -12.188 6.788 -0.106 1.00 0.00 N ATOM 0 H LYS A 31 -13.718 8.037 4.820 1.00 0.00 H new ATOM 0 HA LYS A 31 -13.520 5.688 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.866 7.695 3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.284 6.755 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.030 5.508 3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.505 4.907 2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.899 7.370 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.227 5.943 1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.771 6.996 1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.835 8.340 1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.059 7.229 -0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.389 7.056 -0.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.296 5.754 -0.111 1.00 0.00 H new ATOM 469 N VAL A 32 -13.637 3.781 4.871 1.00 0.00 N ATOM 470 CA VAL A 32 -13.605 2.630 5.817 1.00 0.00 C ATOM 471 C VAL A 32 -13.873 1.335 5.054 1.00 0.00 C ATOM 472 O VAL A 32 -14.565 0.453 5.521 1.00 0.00 O ATOM 473 CB VAL A 32 -14.680 2.824 6.882 1.00 0.00 C ATOM 474 CG1 VAL A 32 -16.055 2.636 6.243 1.00 0.00 C ATOM 475 CG2 VAL A 32 -14.490 1.794 7.998 1.00 0.00 C ATOM 0 H VAL A 32 -14.091 3.597 3.976 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.625 2.574 6.291 1.00 0.00 H new ATOM 0 HB VAL A 32 -14.603 3.827 7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -16.829 2.773 6.998 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -16.190 3.369 5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -16.128 1.631 5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -15.259 1.935 8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.569 0.789 7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.506 1.924 8.449 1.00 0.00 H new ATOM 485 N ALA A 33 -13.325 1.223 3.884 1.00 0.00 N ATOM 486 CA ALA A 33 -13.534 -0.009 3.071 1.00 0.00 C ATOM 487 C ALA A 33 -12.178 -0.616 2.701 1.00 0.00 C ATOM 488 O ALA A 33 -11.138 -0.075 3.019 1.00 0.00 O ATOM 489 CB ALA A 33 -14.300 0.347 1.795 1.00 0.00 C ATOM 0 H ALA A 33 -12.737 1.933 3.449 1.00 0.00 H new ATOM 0 HA ALA A 33 -14.108 -0.733 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -14.453 -0.553 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.266 0.777 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.727 1.071 1.216 1.00 0.00 H new ATOM 495 N THR A 34 -12.181 -1.737 2.031 1.00 0.00 N ATOM 496 CA THR A 34 -10.893 -2.380 1.642 1.00 0.00 C ATOM 497 C THR A 34 -10.344 -1.706 0.382 1.00 0.00 C ATOM 498 O THR A 34 -10.855 -0.700 -0.068 1.00 0.00 O ATOM 499 CB THR A 34 -11.129 -3.866 1.360 1.00 0.00 C ATOM 500 OG1 THR A 34 -11.667 -4.019 0.053 1.00 0.00 O ATOM 501 CG2 THR A 34 -12.109 -4.436 2.387 1.00 0.00 C ATOM 0 H THR A 34 -13.021 -2.236 1.736 1.00 0.00 H new ATOM 0 HA THR A 34 -10.175 -2.272 2.455 1.00 0.00 H new ATOM 0 HB THR A 34 -10.183 -4.403 1.430 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.108 -4.891 -0.019 1.00 0.00 H new ATOM 0 HG21 THR A 34 -12.275 -5.494 2.183 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.695 -4.320 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 34 -13.056 -3.901 2.322 1.00 0.00 H new ATOM 509 N ILE A 35 -9.308 -2.254 -0.191 1.00 0.00 N ATOM 510 CA ILE A 35 -8.729 -1.646 -1.423 1.00 0.00 C ATOM 511 C ILE A 35 -8.326 -2.751 -2.399 1.00 0.00 C ATOM 512 O ILE A 35 -8.651 -3.907 -2.213 1.00 0.00 O ATOM 513 CB ILE A 35 -7.497 -0.818 -1.055 1.00 0.00 C ATOM 514 CG1 ILE A 35 -6.469 -1.716 -0.362 1.00 0.00 C ATOM 515 CG2 ILE A 35 -7.905 0.311 -0.109 1.00 0.00 C ATOM 516 CD1 ILE A 35 -5.060 -1.310 -0.800 1.00 0.00 C ATOM 0 H ILE A 35 -8.837 -3.096 0.140 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.473 -1.002 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.061 -0.394 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.564 -1.628 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.653 -2.760 -0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.027 0.901 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.638 0.950 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.341 -0.112 0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.327 -1.949 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.969 -1.420 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.879 -0.271 -0.525 1.00 0.00 H new ATOM 528 N LYS A 36 -7.623 -2.403 -3.441 1.00 0.00 N ATOM 529 CA LYS A 36 -7.198 -3.430 -4.435 1.00 0.00 C ATOM 530 C LYS A 36 -5.783 -3.912 -4.104 1.00 0.00 C ATOM 531 O LYS A 36 -4.881 -3.125 -3.900 1.00 0.00 O ATOM 532 CB LYS A 36 -7.215 -2.821 -5.840 1.00 0.00 C ATOM 533 CG LYS A 36 -6.257 -1.629 -5.897 1.00 0.00 C ATOM 534 CD LYS A 36 -6.366 -0.948 -7.263 1.00 0.00 C ATOM 535 CE LYS A 36 -7.666 -0.144 -7.331 1.00 0.00 C ATOM 536 NZ LYS A 36 -7.416 1.146 -8.034 1.00 0.00 N ATOM 0 H LYS A 36 -7.324 -1.450 -3.648 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.886 -4.275 -4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.922 -3.571 -6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.225 -2.501 -6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.496 -0.919 -5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.234 -1.963 -5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.511 -0.291 -7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.346 -1.695 -8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.432 -0.714 -7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.043 0.044 -6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.299 1.693 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.698 1.691 -7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.076 0.956 -8.998 1.00 0.00 H new ATOM 550 N ARG A 37 -5.582 -5.201 -4.049 1.00 0.00 N ATOM 551 CA ARG A 37 -4.236 -5.738 -3.736 1.00 0.00 C ATOM 552 C ARG A 37 -3.274 -5.416 -4.882 1.00 0.00 C ATOM 553 O ARG A 37 -2.083 -5.626 -4.782 1.00 0.00 O ATOM 554 CB ARG A 37 -4.344 -7.251 -3.568 1.00 0.00 C ATOM 555 CG ARG A 37 -4.813 -7.880 -4.882 1.00 0.00 C ATOM 556 CD ARG A 37 -3.703 -8.766 -5.452 1.00 0.00 C ATOM 557 NE ARG A 37 -3.596 -8.545 -6.923 1.00 0.00 N ATOM 558 CZ ARG A 37 -4.189 -9.361 -7.752 1.00 0.00 C ATOM 559 NH1 ARG A 37 -5.383 -9.813 -7.481 1.00 0.00 N ATOM 560 NH2 ARG A 37 -3.589 -9.726 -8.853 1.00 0.00 N ATOM 0 H ARG A 37 -6.301 -5.906 -4.209 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.858 -5.286 -2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.378 -7.665 -3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.045 -7.489 -2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.713 -8.471 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.073 -7.100 -5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.754 -8.534 -4.969 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.918 -9.814 -5.246 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.059 -7.756 -7.282 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.853 -9.529 -6.622 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.846 -10.450 -8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.656 -9.374 -9.066 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.053 -10.364 -9.500 1.00 0.00 H new ATOM 574 N ASP A 38 -3.785 -4.911 -5.970 1.00 0.00 N ATOM 575 CA ASP A 38 -2.907 -4.577 -7.127 1.00 0.00 C ATOM 576 C ASP A 38 -1.625 -3.901 -6.631 1.00 0.00 C ATOM 577 O ASP A 38 -0.530 -4.331 -6.934 1.00 0.00 O ATOM 578 CB ASP A 38 -3.652 -3.627 -8.067 1.00 0.00 C ATOM 579 CG ASP A 38 -2.847 -3.447 -9.355 1.00 0.00 C ATOM 580 OD1 ASP A 38 -2.459 -4.450 -9.932 1.00 0.00 O ATOM 581 OD2 ASP A 38 -2.631 -2.311 -9.742 1.00 0.00 O ATOM 0 H ASP A 38 -4.776 -4.714 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.646 -5.493 -7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.640 -4.026 -8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.802 -2.663 -7.582 1.00 0.00 H new ATOM 586 N LYS A 39 -1.751 -2.844 -5.877 1.00 0.00 N ATOM 587 CA LYS A 39 -0.538 -2.141 -5.371 1.00 0.00 C ATOM 588 C LYS A 39 0.223 -3.051 -4.402 1.00 0.00 C ATOM 589 O LYS A 39 1.435 -3.130 -4.434 1.00 0.00 O ATOM 590 CB LYS A 39 -0.956 -0.860 -4.645 1.00 0.00 C ATOM 591 CG LYS A 39 -0.422 0.357 -5.404 1.00 0.00 C ATOM 592 CD LYS A 39 -1.464 0.822 -6.424 1.00 0.00 C ATOM 593 CE LYS A 39 -1.400 2.345 -6.564 1.00 0.00 C ATOM 594 NZ LYS A 39 -2.733 2.928 -6.246 1.00 0.00 N ATOM 0 H LYS A 39 -2.641 -2.437 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 39 0.109 -1.890 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.042 -0.809 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.569 -0.864 -3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.196 1.163 -4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.509 0.103 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.279 0.350 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.461 0.517 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.644 2.751 -5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.105 2.616 -7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.813 3.869 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.481 2.309 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.837 3.014 -5.215 1.00 0.00 H new ATOM 608 N VAL A 40 -0.476 -3.735 -3.539 1.00 0.00 N ATOM 609 CA VAL A 40 0.212 -4.634 -2.569 1.00 0.00 C ATOM 610 C VAL A 40 1.057 -5.662 -3.327 1.00 0.00 C ATOM 611 O VAL A 40 1.984 -6.233 -2.789 1.00 0.00 O ATOM 612 CB VAL A 40 -0.831 -5.359 -1.717 1.00 0.00 C ATOM 613 CG1 VAL A 40 -0.126 -6.291 -0.730 1.00 0.00 C ATOM 614 CG2 VAL A 40 -1.659 -4.333 -0.942 1.00 0.00 C ATOM 0 H VAL A 40 -1.493 -3.711 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 40 0.860 -4.040 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.486 -5.942 -2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.869 -6.808 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.466 -7.023 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.529 -5.707 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.402 -4.849 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.003 -3.750 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.162 -3.667 -1.643 1.00 0.00 H new ATOM 624 N ARG A 41 0.745 -5.904 -4.570 1.00 0.00 N ATOM 625 CA ARG A 41 1.532 -6.897 -5.355 1.00 0.00 C ATOM 626 C ARG A 41 2.766 -6.215 -5.947 1.00 0.00 C ATOM 627 O ARG A 41 3.887 -6.605 -5.688 1.00 0.00 O ATOM 628 CB ARG A 41 0.666 -7.456 -6.486 1.00 0.00 C ATOM 629 CG ARG A 41 1.306 -8.731 -7.038 1.00 0.00 C ATOM 630 CD ARG A 41 0.517 -9.210 -8.258 1.00 0.00 C ATOM 631 NE ARG A 41 1.032 -8.533 -9.481 1.00 0.00 N ATOM 632 CZ ARG A 41 2.173 -8.899 -9.999 1.00 0.00 C ATOM 633 NH1 ARG A 41 2.398 -10.158 -10.261 1.00 0.00 N ATOM 634 NH2 ARG A 41 3.090 -8.006 -10.255 1.00 0.00 N ATOM 0 H ARG A 41 -0.020 -5.458 -5.076 1.00 0.00 H new ATOM 0 HA ARG A 41 1.845 -7.711 -4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.337 -7.670 -6.118 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.563 -6.716 -7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.343 -8.540 -7.314 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.318 -9.506 -6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.609 -10.291 -8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.543 -8.991 -8.128 1.00 0.00 H new ATOM 0 HE ARG A 41 0.493 -7.783 -9.914 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.682 -10.856 -10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.290 -10.443 -10.666 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.915 -7.022 -10.050 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.982 -8.292 -10.660 1.00 0.00 H new ATOM 648 N GLU A 42 2.569 -5.200 -6.742 1.00 0.00 N ATOM 649 CA GLU A 42 3.731 -4.494 -7.351 1.00 0.00 C ATOM 650 C GLU A 42 4.761 -4.177 -6.267 1.00 0.00 C ATOM 651 O GLU A 42 5.903 -4.584 -6.344 1.00 0.00 O ATOM 652 CB GLU A 42 3.254 -3.192 -7.996 1.00 0.00 C ATOM 653 CG GLU A 42 2.378 -3.512 -9.209 1.00 0.00 C ATOM 654 CD GLU A 42 1.861 -2.210 -9.823 1.00 0.00 C ATOM 655 OE1 GLU A 42 0.937 -1.641 -9.265 1.00 0.00 O ATOM 656 OE2 GLU A 42 2.399 -1.804 -10.839 1.00 0.00 O ATOM 0 H GLU A 42 1.654 -4.829 -6.996 1.00 0.00 H new ATOM 0 HA GLU A 42 4.186 -5.131 -8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.691 -2.601 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.110 -2.590 -8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.952 -4.072 -9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.541 -4.143 -8.910 1.00 0.00 H new ATOM 663 N ILE A 43 4.369 -3.450 -5.258 1.00 0.00 N ATOM 664 CA ILE A 43 5.328 -3.107 -4.172 1.00 0.00 C ATOM 665 C ILE A 43 5.909 -4.391 -3.577 1.00 0.00 C ATOM 666 O ILE A 43 7.108 -4.582 -3.541 1.00 0.00 O ATOM 667 CB ILE A 43 4.603 -2.323 -3.078 1.00 0.00 C ATOM 668 CG1 ILE A 43 4.060 -1.017 -3.664 1.00 0.00 C ATOM 669 CG2 ILE A 43 5.579 -2.005 -1.944 1.00 0.00 C ATOM 670 CD1 ILE A 43 3.115 -0.362 -2.657 1.00 0.00 C ATOM 0 H ILE A 43 3.426 -3.079 -5.139 1.00 0.00 H new ATOM 0 HA ILE A 43 6.135 -2.499 -4.582 1.00 0.00 H new ATOM 0 HB ILE A 43 3.778 -2.920 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.883 -0.342 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.533 -1.216 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.061 -1.446 -1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.968 -2.934 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.405 -1.408 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.728 0.568 -3.073 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.286 -1.037 -2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.656 -0.149 -1.735 1.00 0.00 H new ATOM 682 N ALA A 44 5.070 -5.275 -3.110 1.00 0.00 N ATOM 683 CA ALA A 44 5.579 -6.544 -2.518 1.00 0.00 C ATOM 684 C ALA A 44 6.659 -7.136 -3.426 1.00 0.00 C ATOM 685 O ALA A 44 7.518 -7.873 -2.984 1.00 0.00 O ATOM 686 CB ALA A 44 4.427 -7.541 -2.379 1.00 0.00 C ATOM 0 H ALA A 44 4.055 -5.173 -3.113 1.00 0.00 H new ATOM 0 HA ALA A 44 6.004 -6.340 -1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.799 -8.469 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.658 -7.121 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.001 -7.744 -3.362 1.00 0.00 H new ATOM 692 N GLU A 45 6.624 -6.822 -4.692 1.00 0.00 N ATOM 693 CA GLU A 45 7.650 -7.371 -5.624 1.00 0.00 C ATOM 694 C GLU A 45 8.977 -6.636 -5.420 1.00 0.00 C ATOM 695 O GLU A 45 9.993 -7.238 -5.136 1.00 0.00 O ATOM 696 CB GLU A 45 7.181 -7.185 -7.070 1.00 0.00 C ATOM 697 CG GLU A 45 8.031 -8.056 -7.998 1.00 0.00 C ATOM 698 CD GLU A 45 7.118 -8.831 -8.949 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.363 -8.194 -9.666 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.189 -10.049 -8.947 1.00 0.00 O ATOM 0 H GLU A 45 5.930 -6.210 -5.121 1.00 0.00 H new ATOM 0 HA GLU A 45 7.790 -8.433 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.129 -7.457 -7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.265 -6.137 -7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.722 -7.433 -8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.635 -8.749 -7.412 1.00 0.00 H new ATOM 707 N LEU A 46 8.980 -5.338 -5.567 1.00 0.00 N ATOM 708 CA LEU A 46 10.235 -4.568 -5.389 1.00 0.00 C ATOM 709 C LEU A 46 10.633 -4.556 -3.910 1.00 0.00 C ATOM 710 O LEU A 46 11.678 -4.053 -3.545 1.00 0.00 O ATOM 711 CB LEU A 46 10.003 -3.138 -5.871 1.00 0.00 C ATOM 712 CG LEU A 46 8.869 -2.499 -5.067 1.00 0.00 C ATOM 713 CD1 LEU A 46 9.438 -1.859 -3.800 1.00 0.00 C ATOM 714 CD2 LEU A 46 8.188 -1.425 -5.917 1.00 0.00 C ATOM 0 H LEU A 46 8.160 -4.779 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 46 11.037 -5.030 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.916 -2.553 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.754 -3.138 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 46 8.142 -3.264 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.630 -1.404 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.926 -2.623 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.164 -1.094 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.379 -0.968 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.916 -0.661 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.782 -1.879 -6.821 1.00 0.00 H new ATOM 726 N LYS A 47 9.814 -5.105 -3.056 1.00 0.00 N ATOM 727 CA LYS A 47 10.154 -5.121 -1.604 1.00 0.00 C ATOM 728 C LYS A 47 10.912 -6.408 -1.269 1.00 0.00 C ATOM 729 O LYS A 47 11.211 -6.684 -0.125 1.00 0.00 O ATOM 730 CB LYS A 47 8.869 -5.056 -0.776 1.00 0.00 C ATOM 731 CG LYS A 47 9.206 -4.650 0.660 1.00 0.00 C ATOM 732 CD LYS A 47 8.453 -3.367 1.019 1.00 0.00 C ATOM 733 CE LYS A 47 9.446 -2.211 1.152 1.00 0.00 C ATOM 734 NZ LYS A 47 8.854 -0.979 0.559 1.00 0.00 N ATOM 0 H LYS A 47 8.925 -5.543 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 47 10.780 -4.260 -1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.177 -4.337 -1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.370 -6.025 -0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.932 -5.449 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.280 -4.495 0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.715 -3.139 0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.909 -3.502 1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.687 -2.043 2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.379 -2.459 0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.528 -0.192 0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.645 -1.143 -0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.975 -0.740 1.060 1.00 0.00 H new ATOM 748 N MET A 48 11.226 -7.197 -2.261 1.00 0.00 N ATOM 749 CA MET A 48 11.966 -8.465 -2.004 1.00 0.00 C ATOM 750 C MET A 48 13.173 -8.199 -1.096 1.00 0.00 C ATOM 751 O MET A 48 13.364 -8.889 -0.114 1.00 0.00 O ATOM 752 CB MET A 48 12.450 -9.050 -3.332 1.00 0.00 C ATOM 753 CG MET A 48 11.748 -10.385 -3.585 1.00 0.00 C ATOM 754 SD MET A 48 11.385 -10.551 -5.350 1.00 0.00 S ATOM 755 CE MET A 48 12.422 -12.000 -5.659 1.00 0.00 C ATOM 0 H MET A 48 11.001 -7.017 -3.240 1.00 0.00 H new ATOM 0 HA MET A 48 11.298 -9.171 -1.511 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.240 -8.356 -4.146 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.530 -9.194 -3.307 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.380 -11.209 -3.254 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.826 -10.438 -3.007 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.349 -12.283 -6.709 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.459 -11.764 -5.418 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.085 -12.828 -5.036 1.00 0.00 H new ATOM 765 N PRO A 49 13.960 -7.214 -1.454 1.00 0.00 N ATOM 766 CA PRO A 49 15.163 -6.850 -0.686 1.00 0.00 C ATOM 767 C PRO A 49 14.782 -6.058 0.567 1.00 0.00 C ATOM 768 O PRO A 49 14.915 -4.851 0.617 1.00 0.00 O ATOM 769 CB PRO A 49 15.967 -5.989 -1.664 1.00 0.00 C ATOM 770 CG PRO A 49 14.956 -5.446 -2.702 1.00 0.00 C ATOM 771 CD PRO A 49 13.726 -6.371 -2.646 1.00 0.00 C ATOM 0 HA PRO A 49 15.724 -7.715 -0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.465 -5.172 -1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.745 -6.578 -2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.678 -4.418 -2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 49 15.392 -5.441 -3.701 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.802 -5.800 -2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.640 -6.974 -3.550 1.00 0.00 H new ATOM 779 N ASP A 50 14.309 -6.732 1.579 1.00 0.00 N ATOM 780 CA ASP A 50 13.919 -6.026 2.831 1.00 0.00 C ATOM 781 C ASP A 50 13.582 -7.056 3.912 1.00 0.00 C ATOM 782 O ASP A 50 13.854 -6.857 5.079 1.00 0.00 O ATOM 783 CB ASP A 50 12.695 -5.148 2.562 1.00 0.00 C ATOM 784 CG ASP A 50 12.750 -3.906 3.455 1.00 0.00 C ATOM 785 OD1 ASP A 50 13.451 -3.949 4.452 1.00 0.00 O ATOM 786 OD2 ASP A 50 12.090 -2.934 3.125 1.00 0.00 O ATOM 0 H ASP A 50 14.176 -7.743 1.592 1.00 0.00 H new ATOM 0 HA ASP A 50 14.746 -5.401 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.669 -4.853 1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.782 -5.709 2.758 1.00 0.00 H new ATOM 791 N LEU A 51 12.993 -8.158 3.533 1.00 0.00 N ATOM 792 CA LEU A 51 12.641 -9.198 4.540 1.00 0.00 C ATOM 793 C LEU A 51 12.835 -10.587 3.927 1.00 0.00 C ATOM 794 O LEU A 51 12.340 -11.573 4.436 1.00 0.00 O ATOM 795 CB LEU A 51 11.180 -9.025 4.964 1.00 0.00 C ATOM 796 CG LEU A 51 10.347 -8.588 3.759 1.00 0.00 C ATOM 797 CD1 LEU A 51 9.036 -9.376 3.731 1.00 0.00 C ATOM 798 CD2 LEU A 51 10.040 -7.093 3.869 1.00 0.00 C ATOM 0 H LEU A 51 12.741 -8.382 2.570 1.00 0.00 H new ATOM 0 HA LEU A 51 13.286 -9.093 5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.794 -9.962 5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.106 -8.283 5.759 1.00 0.00 H new ATOM 0 HG LEU A 51 10.905 -8.780 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.442 -9.064 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.253 -10.441 3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.477 -9.185 4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.446 -6.779 3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.482 -6.903 4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.973 -6.530 3.889 1.00 0.00 H new ATOM 810 N ASN A 52 13.553 -10.668 2.838 1.00 0.00 N ATOM 811 CA ASN A 52 13.788 -11.988 2.184 1.00 0.00 C ATOM 812 C ASN A 52 12.502 -12.819 2.214 1.00 0.00 C ATOM 813 O ASN A 52 12.418 -13.828 2.884 1.00 0.00 O ATOM 814 CB ASN A 52 14.905 -12.733 2.922 1.00 0.00 C ATOM 815 CG ASN A 52 14.435 -13.117 4.327 1.00 0.00 C ATOM 816 OD1 ASN A 52 14.406 -12.291 5.218 1.00 0.00 O ATOM 817 ND2 ASN A 52 14.068 -14.347 4.566 1.00 0.00 N ATOM 0 H ASN A 52 13.989 -9.872 2.372 1.00 0.00 H new ATOM 0 HA ASN A 52 14.084 -11.829 1.147 1.00 0.00 H new ATOM 0 HB2 ASN A 52 15.186 -13.627 2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.793 -12.104 2.985 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.757 -14.614 5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.092 -15.041 3.819 1.00 0.00 H new ATOM 824 N ALA A 53 11.499 -12.404 1.491 1.00 0.00 N ATOM 825 CA ALA A 53 10.221 -13.171 1.480 1.00 0.00 C ATOM 826 C ALA A 53 10.305 -14.291 0.441 1.00 0.00 C ATOM 827 O ALA A 53 11.048 -14.207 -0.517 1.00 0.00 O ATOM 828 CB ALA A 53 9.065 -12.234 1.125 1.00 0.00 C ATOM 0 H ALA A 53 11.509 -11.567 0.907 1.00 0.00 H new ATOM 0 HA ALA A 53 10.050 -13.602 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.131 -12.796 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.003 -11.436 1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.237 -11.802 0.139 1.00 0.00 H new ATOM 834 N ALA A 54 9.548 -15.339 0.620 1.00 0.00 N ATOM 835 CA ALA A 54 9.586 -16.458 -0.363 1.00 0.00 C ATOM 836 C ALA A 54 9.485 -15.887 -1.778 1.00 0.00 C ATOM 837 O ALA A 54 10.285 -16.190 -2.641 1.00 0.00 O ATOM 838 CB ALA A 54 8.408 -17.401 -0.107 1.00 0.00 C ATOM 0 H ALA A 54 8.907 -15.468 1.402 1.00 0.00 H new ATOM 0 HA ALA A 54 10.520 -17.009 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.435 -18.220 -0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.477 -17.803 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.472 -16.853 -0.217 1.00 0.00 H new ATOM 844 N SER A 55 8.506 -15.060 -2.020 1.00 0.00 N ATOM 845 CA SER A 55 8.345 -14.462 -3.373 1.00 0.00 C ATOM 846 C SER A 55 7.138 -13.523 -3.360 1.00 0.00 C ATOM 847 O SER A 55 7.224 -12.377 -3.753 1.00 0.00 O ATOM 848 CB SER A 55 8.120 -15.572 -4.401 1.00 0.00 C ATOM 849 OG SER A 55 7.615 -16.726 -3.741 1.00 0.00 O ATOM 0 H SER A 55 7.808 -14.772 -1.335 1.00 0.00 H new ATOM 0 HA SER A 55 9.243 -13.905 -3.639 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.418 -15.239 -5.165 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.055 -15.809 -4.909 1.00 0.00 H new ATOM 0 HG SER A 55 7.468 -17.440 -4.396 1.00 0.00 H new ATOM 855 N ILE A 56 6.012 -14.006 -2.910 1.00 0.00 N ATOM 856 CA ILE A 56 4.794 -13.148 -2.869 1.00 0.00 C ATOM 857 C ILE A 56 3.892 -13.589 -1.708 1.00 0.00 C ATOM 858 O ILE A 56 2.765 -13.153 -1.582 1.00 0.00 O ATOM 859 CB ILE A 56 4.044 -13.296 -4.195 1.00 0.00 C ATOM 860 CG1 ILE A 56 4.822 -12.580 -5.301 1.00 0.00 C ATOM 861 CG2 ILE A 56 2.648 -12.681 -4.079 1.00 0.00 C ATOM 862 CD1 ILE A 56 4.853 -11.078 -5.011 1.00 0.00 C ATOM 0 H ILE A 56 5.883 -14.959 -2.569 1.00 0.00 H new ATOM 0 HA ILE A 56 5.077 -12.106 -2.720 1.00 0.00 H new ATOM 0 HB ILE A 56 3.950 -14.355 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.838 -12.971 -5.358 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.354 -12.765 -6.268 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.122 -12.791 -5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.090 -13.190 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.736 -11.623 -3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 56 5.407 -10.567 -5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.834 -10.693 -4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.340 -10.903 -4.052 1.00 0.00 H new ATOM 874 N GLU A 57 4.375 -14.457 -0.858 1.00 0.00 N ATOM 875 CA GLU A 57 3.557 -14.928 0.274 1.00 0.00 C ATOM 876 C GLU A 57 3.915 -14.136 1.535 1.00 0.00 C ATOM 877 O GLU A 57 3.061 -13.582 2.198 1.00 0.00 O ATOM 878 CB GLU A 57 3.863 -16.404 0.493 1.00 0.00 C ATOM 879 CG GLU A 57 2.644 -17.082 1.095 1.00 0.00 C ATOM 880 CD GLU A 57 3.083 -18.303 1.906 1.00 0.00 C ATOM 881 OE1 GLU A 57 3.382 -18.135 3.077 1.00 0.00 O ATOM 882 OE2 GLU A 57 3.115 -19.384 1.342 1.00 0.00 O ATOM 0 H GLU A 57 5.312 -14.858 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 57 2.497 -14.786 0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.127 -16.877 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.721 -16.516 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.105 -16.383 1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.957 -17.386 0.305 1.00 0.00 H new ATOM 889 N ALA A 58 5.176 -14.082 1.869 1.00 0.00 N ATOM 890 CA ALA A 58 5.598 -13.331 3.085 1.00 0.00 C ATOM 891 C ALA A 58 5.409 -11.832 2.846 1.00 0.00 C ATOM 892 O ALA A 58 4.926 -11.112 3.698 1.00 0.00 O ATOM 893 CB ALA A 58 7.073 -13.620 3.373 1.00 0.00 C ATOM 0 H ALA A 58 5.933 -14.527 1.351 1.00 0.00 H new ATOM 0 HA ALA A 58 4.993 -13.643 3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.384 -13.072 4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.209 -14.689 3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.678 -13.306 2.523 1.00 0.00 H new ATOM 899 N ALA A 59 5.787 -11.358 1.692 1.00 0.00 N ATOM 900 CA ALA A 59 5.631 -9.907 1.393 1.00 0.00 C ATOM 901 C ALA A 59 4.145 -9.570 1.269 1.00 0.00 C ATOM 902 O ALA A 59 3.735 -8.442 1.461 1.00 0.00 O ATOM 903 CB ALA A 59 6.338 -9.581 0.076 1.00 0.00 C ATOM 0 H ALA A 59 6.198 -11.913 0.942 1.00 0.00 H new ATOM 0 HA ALA A 59 6.071 -9.320 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.225 -8.520 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.397 -9.823 0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.896 -10.168 -0.729 1.00 0.00 H new ATOM 909 N MET A 60 3.334 -10.541 0.947 1.00 0.00 N ATOM 910 CA MET A 60 1.875 -10.279 0.810 1.00 0.00 C ATOM 911 C MET A 60 1.268 -10.020 2.189 1.00 0.00 C ATOM 912 O MET A 60 0.411 -9.175 2.353 1.00 0.00 O ATOM 913 CB MET A 60 1.201 -11.487 0.178 1.00 0.00 C ATOM 914 CG MET A 60 0.788 -11.151 -1.255 1.00 0.00 C ATOM 915 SD MET A 60 -0.715 -10.142 -1.229 1.00 0.00 S ATOM 916 CE MET A 60 -1.245 -10.482 -2.926 1.00 0.00 C ATOM 0 H MET A 60 3.620 -11.504 0.773 1.00 0.00 H new ATOM 0 HA MET A 60 1.722 -9.404 0.178 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.881 -12.339 0.181 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.327 -11.775 0.761 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.591 -10.614 -1.760 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.614 -12.067 -1.819 1.00 0.00 H new ATOM 0 HE1 MET A 60 -2.173 -9.949 -3.131 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.474 -10.149 -3.621 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.407 -11.553 -3.049 1.00 0.00 H new ATOM 926 N ARG A 61 1.708 -10.740 3.184 1.00 0.00 N ATOM 927 CA ARG A 61 1.157 -10.533 4.553 1.00 0.00 C ATOM 928 C ARG A 61 1.816 -9.305 5.182 1.00 0.00 C ATOM 929 O ARG A 61 1.354 -8.778 6.175 1.00 0.00 O ATOM 930 CB ARG A 61 1.446 -11.766 5.411 1.00 0.00 C ATOM 931 CG ARG A 61 0.197 -12.646 5.475 1.00 0.00 C ATOM 932 CD ARG A 61 -0.517 -12.425 6.809 1.00 0.00 C ATOM 933 NE ARG A 61 -1.934 -12.872 6.694 1.00 0.00 N ATOM 934 CZ ARG A 61 -2.351 -13.899 7.382 1.00 0.00 C ATOM 935 NH1 ARG A 61 -2.350 -13.856 8.686 1.00 0.00 N ATOM 936 NH2 ARG A 61 -2.770 -14.969 6.765 1.00 0.00 N ATOM 0 H ARG A 61 2.425 -11.462 3.108 1.00 0.00 H new ATOM 0 HA ARG A 61 0.080 -10.379 4.495 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.279 -12.328 4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.742 -11.462 6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.472 -12.406 4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.473 -13.695 5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.012 -12.980 7.600 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.478 -11.371 7.084 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.577 -12.375 6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.023 -13.019 9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.676 -14.659 9.223 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.771 -15.002 5.746 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.096 -15.773 7.302 1.00 0.00 H new ATOM 950 N MET A 62 2.895 -8.848 4.611 1.00 0.00 N ATOM 951 CA MET A 62 3.590 -7.659 5.167 1.00 0.00 C ATOM 952 C MET A 62 2.857 -6.388 4.734 1.00 0.00 C ATOM 953 O MET A 62 2.380 -5.625 5.550 1.00 0.00 O ATOM 954 CB MET A 62 5.020 -7.630 4.632 1.00 0.00 C ATOM 955 CG MET A 62 5.942 -8.374 5.599 1.00 0.00 C ATOM 956 SD MET A 62 7.225 -7.246 6.195 1.00 0.00 S ATOM 957 CE MET A 62 6.857 -7.402 7.959 1.00 0.00 C ATOM 0 H MET A 62 3.326 -9.251 3.779 1.00 0.00 H new ATOM 0 HA MET A 62 3.602 -7.712 6.256 1.00 0.00 H new ATOM 0 HB2 MET A 62 5.060 -8.093 3.646 1.00 0.00 H new ATOM 0 HB3 MET A 62 5.355 -6.599 4.514 1.00 0.00 H new ATOM 0 HG2 MET A 62 5.367 -8.765 6.439 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.398 -9.229 5.099 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.543 -6.777 8.530 1.00 0.00 H new ATOM 0 HE2 MET A 62 5.832 -7.081 8.147 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.974 -8.442 8.264 1.00 0.00 H new ATOM 967 N ILE A 63 2.767 -6.154 3.454 1.00 0.00 N ATOM 968 CA ILE A 63 2.069 -4.932 2.965 1.00 0.00 C ATOM 969 C ILE A 63 0.620 -4.936 3.448 1.00 0.00 C ATOM 970 O ILE A 63 0.057 -3.907 3.759 1.00 0.00 O ATOM 971 CB ILE A 63 2.086 -4.914 1.437 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.510 -4.655 0.944 1.00 0.00 C ATOM 973 CG2 ILE A 63 1.161 -3.805 0.931 1.00 0.00 C ATOM 974 CD1 ILE A 63 3.489 -4.418 -0.566 1.00 0.00 C ATOM 0 H ILE A 63 3.147 -6.757 2.725 1.00 0.00 H new ATOM 0 HA ILE A 63 2.579 -4.050 3.352 1.00 0.00 H new ATOM 0 HB ILE A 63 1.742 -5.877 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.931 -3.788 1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.149 -5.506 1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.172 -3.791 -0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.146 -3.990 1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.506 -2.843 1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.503 -4.233 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.085 -5.298 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.864 -3.554 -0.790 1.00 0.00 H new ATOM 986 N GLU A 64 0.005 -6.082 3.504 1.00 0.00 N ATOM 987 CA GLU A 64 -1.411 -6.130 3.959 1.00 0.00 C ATOM 988 C GLU A 64 -1.498 -5.649 5.398 1.00 0.00 C ATOM 989 O GLU A 64 -2.155 -4.673 5.690 1.00 0.00 O ATOM 990 CB GLU A 64 -1.948 -7.560 3.853 1.00 0.00 C ATOM 991 CG GLU A 64 -2.729 -7.720 2.548 1.00 0.00 C ATOM 992 CD GLU A 64 -2.833 -9.205 2.192 1.00 0.00 C ATOM 993 OE1 GLU A 64 -2.524 -10.021 3.045 1.00 0.00 O ATOM 994 OE2 GLU A 64 -3.218 -9.501 1.073 1.00 0.00 O ATOM 0 H GLU A 64 0.417 -6.982 3.257 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.014 -5.481 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.123 -8.272 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.593 -7.781 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.725 -7.290 2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.231 -7.177 1.745 1.00 0.00 H new ATOM 1001 N GLY A 65 -0.832 -6.303 6.301 1.00 0.00 N ATOM 1002 CA GLY A 65 -0.881 -5.843 7.706 1.00 0.00 C ATOM 1003 C GLY A 65 -0.420 -4.386 7.757 1.00 0.00 C ATOM 1004 O GLY A 65 -0.640 -3.685 8.730 1.00 0.00 O ATOM 0 H GLY A 65 -0.260 -7.130 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.894 -5.934 8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.240 -6.465 8.331 1.00 0.00 H new ATOM 1008 N THR A 66 0.215 -3.916 6.709 1.00 0.00 N ATOM 1009 CA THR A 66 0.682 -2.505 6.714 1.00 0.00 C ATOM 1010 C THR A 66 -0.516 -1.581 6.527 1.00 0.00 C ATOM 1011 O THR A 66 -0.772 -0.714 7.339 1.00 0.00 O ATOM 1012 CB THR A 66 1.691 -2.270 5.586 1.00 0.00 C ATOM 1013 OG1 THR A 66 2.767 -3.189 5.715 1.00 0.00 O ATOM 1014 CG2 THR A 66 2.224 -0.838 5.679 1.00 0.00 C ATOM 0 H THR A 66 0.425 -4.446 5.863 1.00 0.00 H new ATOM 0 HA THR A 66 1.169 -2.295 7.666 1.00 0.00 H new ATOM 0 HB THR A 66 1.206 -2.417 4.621 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.443 -4.098 5.546 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.943 -0.665 4.878 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.397 -0.135 5.582 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.712 -0.693 6.643 1.00 0.00 H new ATOM 1022 N ALA A 67 -1.266 -1.764 5.475 1.00 0.00 N ATOM 1023 CA ALA A 67 -2.452 -0.894 5.273 1.00 0.00 C ATOM 1024 C ALA A 67 -3.405 -1.121 6.442 1.00 0.00 C ATOM 1025 O ALA A 67 -4.165 -0.256 6.821 1.00 0.00 O ATOM 1026 CB ALA A 67 -3.147 -1.258 3.959 1.00 0.00 C ATOM 0 H ALA A 67 -1.110 -2.470 4.756 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.151 0.152 5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.016 -0.616 3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.453 -1.118 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.467 -2.299 3.993 1.00 0.00 H new ATOM 1032 N ARG A 68 -3.352 -2.286 7.026 1.00 0.00 N ATOM 1033 CA ARG A 68 -4.231 -2.590 8.181 1.00 0.00 C ATOM 1034 C ARG A 68 -4.164 -1.437 9.179 1.00 0.00 C ATOM 1035 O ARG A 68 -5.152 -0.790 9.464 1.00 0.00 O ATOM 1036 CB ARG A 68 -3.744 -3.873 8.857 1.00 0.00 C ATOM 1037 CG ARG A 68 -4.932 -4.795 9.122 1.00 0.00 C ATOM 1038 CD ARG A 68 -4.496 -5.931 10.050 1.00 0.00 C ATOM 1039 NE ARG A 68 -5.636 -6.330 10.921 1.00 0.00 N ATOM 1040 CZ ARG A 68 -5.409 -6.928 12.059 1.00 0.00 C ATOM 1041 NH1 ARG A 68 -4.431 -7.785 12.162 1.00 0.00 N ATOM 1042 NH2 ARG A 68 -6.160 -6.668 13.093 1.00 0.00 N ATOM 0 H ARG A 68 -2.730 -3.045 6.747 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.258 -2.721 7.840 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.015 -4.376 8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.240 -3.634 9.794 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.749 -4.233 9.576 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.308 -5.201 8.183 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.158 -6.785 9.462 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.652 -5.611 10.662 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.594 -6.136 10.629 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.843 -7.988 11.353 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.254 -8.252 13.051 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.924 -5.998 13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.983 -7.135 13.982 1.00 0.00 H new ATOM 1056 N SER A 69 -3.005 -1.178 9.718 1.00 0.00 N ATOM 1057 CA SER A 69 -2.883 -0.070 10.705 1.00 0.00 C ATOM 1058 C SER A 69 -2.535 1.242 9.992 1.00 0.00 C ATOM 1059 O SER A 69 -3.328 2.162 9.944 1.00 0.00 O ATOM 1060 CB SER A 69 -1.784 -0.408 11.709 1.00 0.00 C ATOM 1061 OG SER A 69 -0.947 -1.420 11.166 1.00 0.00 O ATOM 0 H SER A 69 -2.141 -1.683 9.519 1.00 0.00 H new ATOM 0 HA SER A 69 -3.835 0.051 11.222 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.197 0.482 11.937 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.224 -0.748 12.646 1.00 0.00 H new ATOM 0 HG SER A 69 -0.239 -1.638 11.808 1.00 0.00 H new ATOM 1067 N MET A 70 -1.351 1.342 9.453 1.00 0.00 N ATOM 1068 CA MET A 70 -0.934 2.587 8.764 1.00 0.00 C ATOM 1069 C MET A 70 -2.031 3.110 7.830 1.00 0.00 C ATOM 1070 O MET A 70 -2.037 4.271 7.473 1.00 0.00 O ATOM 1071 CB MET A 70 0.320 2.284 7.956 1.00 0.00 C ATOM 1072 CG MET A 70 1.380 1.701 8.882 1.00 0.00 C ATOM 1073 SD MET A 70 1.664 -0.036 8.482 1.00 0.00 S ATOM 1074 CE MET A 70 2.795 -0.401 9.847 1.00 0.00 C ATOM 0 H MET A 70 -0.649 0.602 9.463 1.00 0.00 H new ATOM 0 HA MET A 70 -0.743 3.358 9.511 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.091 1.580 7.156 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.692 3.193 7.484 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.309 2.262 8.783 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.060 1.796 9.920 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.104 -1.445 9.794 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.672 0.242 9.774 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.290 -0.220 10.796 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.952 2.284 7.414 1.00 0.00 N ATOM 1085 CA GLY A 71 -4.012 2.790 6.493 1.00 0.00 C ATOM 1086 C GLY A 71 -5.316 2.016 6.690 1.00 0.00 C ATOM 1087 O GLY A 71 -5.772 1.810 7.796 1.00 0.00 O ATOM 0 H GLY A 71 -3.018 1.298 7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.182 3.851 6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.679 2.693 5.460 1.00 0.00 H new ATOM 1091 N ILE A 72 -5.923 1.597 5.612 1.00 0.00 N ATOM 1092 CA ILE A 72 -7.209 0.846 5.714 1.00 0.00 C ATOM 1093 C ILE A 72 -6.966 -0.650 5.502 1.00 0.00 C ATOM 1094 O ILE A 72 -5.844 -1.112 5.464 1.00 0.00 O ATOM 1095 CB ILE A 72 -8.183 1.357 4.650 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -7.411 1.693 3.371 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -8.889 2.613 5.164 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -6.556 0.494 2.956 1.00 0.00 C ATOM 0 H ILE A 72 -5.583 1.743 4.662 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.631 1.001 6.707 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.924 0.586 4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.106 1.950 2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.777 2.565 3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.583 2.977 4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.439 2.374 6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.149 3.384 5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.008 0.736 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.850 0.257 3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.200 -0.366 2.774 1.00 0.00 H new ATOM 1110 N VAL A 73 -8.019 -1.412 5.368 1.00 0.00 N ATOM 1111 CA VAL A 73 -7.862 -2.881 5.165 1.00 0.00 C ATOM 1112 C VAL A 73 -7.624 -3.178 3.684 1.00 0.00 C ATOM 1113 O VAL A 73 -7.846 -2.346 2.828 1.00 0.00 O ATOM 1114 CB VAL A 73 -9.130 -3.598 5.633 1.00 0.00 C ATOM 1115 CG1 VAL A 73 -10.261 -3.350 4.632 1.00 0.00 C ATOM 1116 CG2 VAL A 73 -8.855 -5.100 5.731 1.00 0.00 C ATOM 0 H VAL A 73 -8.983 -1.079 5.391 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.008 -3.235 5.743 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.424 -3.215 6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.163 -3.862 4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.456 -2.280 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.971 -3.731 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.757 -5.614 6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.561 -5.481 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.051 -5.277 6.446 1.00 0.00 H new ATOM 1126 N VAL A 74 -7.174 -4.362 3.375 1.00 0.00 N ATOM 1127 CA VAL A 74 -6.920 -4.714 1.951 1.00 0.00 C ATOM 1128 C VAL A 74 -7.699 -5.981 1.589 1.00 0.00 C ATOM 1129 O VAL A 74 -8.126 -6.726 2.449 1.00 0.00 O ATOM 1130 CB VAL A 74 -5.424 -4.957 1.748 1.00 0.00 C ATOM 1131 CG1 VAL A 74 -5.187 -5.557 0.361 1.00 0.00 C ATOM 1132 CG2 VAL A 74 -4.673 -3.627 1.863 1.00 0.00 C ATOM 0 H VAL A 74 -6.971 -5.101 4.048 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.246 -3.895 1.310 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.061 -5.648 2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.121 -5.730 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.723 -6.503 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.549 -4.866 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.606 -3.798 1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.036 -2.937 1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.841 -3.198 2.851 1.00 0.00 H new ATOM 1142 N GLU A 75 -7.887 -6.231 0.322 1.00 0.00 N ATOM 1143 CA GLU A 75 -8.637 -7.449 -0.096 1.00 0.00 C ATOM 1144 C GLU A 75 -7.695 -8.393 -0.845 1.00 0.00 C ATOM 1145 O GLU A 75 -6.931 -7.977 -1.694 1.00 0.00 O ATOM 1146 CB GLU A 75 -9.793 -7.047 -1.017 1.00 0.00 C ATOM 1147 CG GLU A 75 -9.237 -6.614 -2.376 1.00 0.00 C ATOM 1148 CD GLU A 75 -9.274 -7.795 -3.347 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -10.099 -8.673 -3.152 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -8.478 -7.801 -4.271 1.00 0.00 O ATOM 0 H GLU A 75 -7.553 -5.644 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.034 -7.952 0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.479 -7.884 -1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.362 -6.233 -0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.824 -5.786 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.214 -6.255 -2.264 1.00 0.00 H new ATOM 1157 N ASP A 76 -7.741 -9.660 -0.540 1.00 0.00 N ATOM 1158 CA ASP A 76 -6.847 -10.625 -1.239 1.00 0.00 C ATOM 1159 C ASP A 76 -7.619 -11.304 -2.372 1.00 0.00 C ATOM 1160 O ASP A 76 -8.170 -12.366 -2.133 1.00 0.00 O ATOM 1161 CB ASP A 76 -6.361 -11.682 -0.247 1.00 0.00 C ATOM 1162 CG ASP A 76 -5.577 -12.760 -0.998 1.00 0.00 C ATOM 1163 OD1 ASP A 76 -4.643 -12.405 -1.697 1.00 0.00 O ATOM 1164 OD2 ASP A 76 -5.925 -13.921 -0.861 1.00 0.00 O ATOM 1165 OXT ASP A 76 -7.646 -10.750 -3.459 1.00 0.00 O ATOM 0 H ASP A 76 -8.358 -10.069 0.162 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.989 -10.094 -1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.730 -11.221 0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.210 -12.128 0.271 1.00 0.00 H new TER 1170 ASP A 76