USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 609 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 100:sc= -2.8! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0745) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0427 X(o=-0.043,f=-0.39) USER MOD Single : A 31 MET CE :methyl 154:sc= -1.5 (180deg=-3.75!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0012 USER MOD Single : A 33 SER OG : rot 160:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -170:sc= -1.2 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.409 USER MOD Single : A 58 THR OG1 : rot 74:sc= 0.875 USER MOD Single : A 62 ASN : amide:sc=-0.00708 K(o=-0.0071,f=-0.82) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 156:sc= -2.43! (180deg=-3.04!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.773 6.890 -20.386 1.00 0.00 N ATOM 2 CA GLY A 1 -12.221 6.867 -20.297 1.00 0.00 C ATOM 3 C GLY A 1 -12.877 6.494 -21.612 1.00 0.00 C ATOM 4 O GLY A 1 -13.039 7.338 -22.494 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.372 7.150 -19.462 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.427 5.948 -20.661 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.480 7.588 -21.099 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.523 6.155 -19.529 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.578 7.847 -19.982 1.00 0.00 H new ATOM 8 N SER A 2 -13.254 5.227 -21.745 1.00 0.00 N ATOM 9 CA SER A 2 -13.891 4.742 -22.964 1.00 0.00 C ATOM 10 C SER A 2 -15.229 4.078 -22.651 1.00 0.00 C ATOM 11 O SER A 2 -15.483 3.673 -21.517 1.00 0.00 O ATOM 12 CB SER A 2 -12.974 3.753 -23.685 1.00 0.00 C ATOM 13 OG SER A 2 -11.713 4.336 -23.963 1.00 0.00 O ATOM 0 H SER A 2 -13.129 4.517 -21.023 1.00 0.00 H new ATOM 0 HA SER A 2 -14.073 5.598 -23.614 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.839 2.863 -23.070 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.442 3.430 -24.615 1.00 0.00 H new ATOM 0 HG SER A 2 -11.145 3.683 -24.423 1.00 0.00 H new ATOM 19 N SER A 3 -16.080 3.969 -23.666 1.00 0.00 N ATOM 20 CA SER A 3 -17.393 3.357 -23.500 1.00 0.00 C ATOM 21 C SER A 3 -17.299 1.837 -23.588 1.00 0.00 C ATOM 22 O SER A 3 -17.171 1.274 -24.674 1.00 0.00 O ATOM 23 CB SER A 3 -18.362 3.882 -24.562 1.00 0.00 C ATOM 24 OG SER A 3 -18.565 5.278 -24.421 1.00 0.00 O ATOM 0 H SER A 3 -15.884 4.296 -24.612 1.00 0.00 H new ATOM 0 HA SER A 3 -17.769 3.624 -22.512 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.969 3.667 -25.556 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.316 3.362 -24.477 1.00 0.00 H new ATOM 0 HG SER A 3 -19.186 5.590 -25.112 1.00 0.00 H new ATOM 30 N GLY A 4 -17.365 1.178 -22.435 1.00 0.00 N ATOM 31 CA GLY A 4 -17.286 -0.271 -22.403 1.00 0.00 C ATOM 32 C GLY A 4 -18.483 -0.931 -23.058 1.00 0.00 C ATOM 33 O GLY A 4 -19.619 -0.496 -22.873 1.00 0.00 O ATOM 0 H GLY A 4 -17.472 1.622 -21.523 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.376 -0.593 -22.908 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.212 -0.605 -21.368 1.00 0.00 H new ATOM 37 N SER A 5 -18.228 -1.985 -23.827 1.00 0.00 N ATOM 38 CA SER A 5 -19.293 -2.704 -24.517 1.00 0.00 C ATOM 39 C SER A 5 -19.788 -3.878 -23.677 1.00 0.00 C ATOM 40 O SER A 5 -20.982 -4.002 -23.407 1.00 0.00 O ATOM 41 CB SER A 5 -18.802 -3.205 -25.876 1.00 0.00 C ATOM 42 OG SER A 5 -19.884 -3.396 -26.771 1.00 0.00 O ATOM 0 H SER A 5 -17.293 -2.360 -23.988 1.00 0.00 H new ATOM 0 HA SER A 5 -20.123 -2.014 -24.671 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.099 -2.488 -26.299 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.262 -4.143 -25.748 1.00 0.00 H new ATOM 0 HG SER A 5 -19.543 -3.715 -27.633 1.00 0.00 H new ATOM 48 N SER A 6 -18.860 -4.737 -23.269 1.00 0.00 N ATOM 49 CA SER A 6 -19.201 -5.904 -22.463 1.00 0.00 C ATOM 50 C SER A 6 -19.592 -5.492 -21.047 1.00 0.00 C ATOM 51 O SER A 6 -20.571 -5.988 -20.492 1.00 0.00 O ATOM 52 CB SER A 6 -18.023 -6.879 -22.415 1.00 0.00 C ATOM 53 OG SER A 6 -18.449 -8.175 -22.033 1.00 0.00 O ATOM 0 H SER A 6 -17.867 -4.647 -23.483 1.00 0.00 H new ATOM 0 HA SER A 6 -20.054 -6.398 -22.928 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.544 -6.924 -23.393 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.275 -6.516 -21.710 1.00 0.00 H new ATOM 0 HG SER A 6 -17.678 -8.780 -22.012 1.00 0.00 H new ATOM 59 N GLY A 7 -18.818 -4.578 -20.469 1.00 0.00 N ATOM 60 CA GLY A 7 -19.099 -4.114 -19.123 1.00 0.00 C ATOM 61 C GLY A 7 -17.925 -3.379 -18.507 1.00 0.00 C ATOM 62 O GLY A 7 -16.771 -3.758 -18.708 1.00 0.00 O ATOM 0 H GLY A 7 -18.002 -4.151 -20.908 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.967 -3.455 -19.143 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.360 -4.966 -18.495 1.00 0.00 H new ATOM 66 N ALA A 8 -18.218 -2.323 -17.755 1.00 0.00 N ATOM 67 CA ALA A 8 -17.178 -1.534 -17.107 1.00 0.00 C ATOM 68 C ALA A 8 -16.801 -2.126 -15.753 1.00 0.00 C ATOM 69 O ALA A 8 -17.638 -2.717 -15.069 1.00 0.00 O ATOM 70 CB ALA A 8 -17.634 -0.091 -16.946 1.00 0.00 C ATOM 0 H ALA A 8 -19.168 -1.994 -17.580 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.292 -1.556 -17.742 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.848 0.487 -16.461 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -17.845 0.335 -17.927 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -18.536 -0.061 -16.335 1.00 0.00 H new ATOM 76 N LEU A 9 -15.539 -1.965 -15.373 1.00 0.00 N ATOM 77 CA LEU A 9 -15.051 -2.485 -14.100 1.00 0.00 C ATOM 78 C LEU A 9 -14.295 -1.410 -13.326 1.00 0.00 C ATOM 79 O LEU A 9 -13.805 -0.443 -13.909 1.00 0.00 O ATOM 80 CB LEU A 9 -14.144 -3.695 -14.334 1.00 0.00 C ATOM 81 CG LEU A 9 -14.849 -5.043 -14.488 1.00 0.00 C ATOM 82 CD1 LEU A 9 -15.517 -5.143 -15.851 1.00 0.00 C ATOM 83 CD2 LEU A 9 -13.864 -6.185 -14.290 1.00 0.00 C ATOM 0 H LEU A 9 -14.835 -1.479 -15.928 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.913 -2.794 -13.508 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.553 -3.512 -15.231 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.445 -3.766 -13.501 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.620 -5.118 -13.722 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.014 -6.109 -15.943 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.253 -4.345 -15.955 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.764 -5.046 -16.633 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.383 -7.137 -14.403 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.070 -6.114 -15.034 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.432 -6.124 -13.291 1.00 0.00 H new ATOM 95 N GLN A 10 -14.203 -1.588 -12.013 1.00 0.00 N ATOM 96 CA GLN A 10 -13.504 -0.633 -11.160 1.00 0.00 C ATOM 97 C GLN A 10 -13.433 -1.138 -9.723 1.00 0.00 C ATOM 98 O GLN A 10 -14.430 -1.598 -9.166 1.00 0.00 O ATOM 99 CB GLN A 10 -14.203 0.726 -11.202 1.00 0.00 C ATOM 100 CG GLN A 10 -13.319 1.879 -10.755 1.00 0.00 C ATOM 101 CD GLN A 10 -13.806 3.221 -11.266 1.00 0.00 C ATOM 102 OE1 GLN A 10 -15.010 3.470 -11.339 1.00 0.00 O ATOM 103 NE2 GLN A 10 -12.871 4.094 -11.622 1.00 0.00 N ATOM 0 H GLN A 10 -14.603 -2.384 -11.516 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.487 -0.522 -11.537 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.548 0.916 -12.218 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.088 0.690 -10.566 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.281 1.901 -9.666 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.301 1.709 -11.106 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.885 3.845 -11.545 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.139 5.014 -11.973 1.00 0.00 H new ATOM 112 N ASP A 11 -12.248 -1.049 -9.128 1.00 0.00 N ATOM 113 CA ASP A 11 -12.047 -1.496 -7.754 1.00 0.00 C ATOM 114 C ASP A 11 -12.145 -0.324 -6.782 1.00 0.00 C ATOM 115 O ASP A 11 -11.184 0.423 -6.596 1.00 0.00 O ATOM 116 CB ASP A 11 -10.686 -2.180 -7.612 1.00 0.00 C ATOM 117 CG ASP A 11 -10.686 -3.251 -6.539 1.00 0.00 C ATOM 118 OD1 ASP A 11 -11.006 -4.414 -6.862 1.00 0.00 O ATOM 119 OD2 ASP A 11 -10.367 -2.925 -5.376 1.00 0.00 O ATOM 0 H ASP A 11 -11.413 -0.672 -9.575 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.832 -2.212 -7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.405 -2.626 -8.566 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.930 -1.432 -7.375 1.00 0.00 H new ATOM 124 N ARG A 12 -13.312 -0.170 -6.165 1.00 0.00 N ATOM 125 CA ARG A 12 -13.536 0.912 -5.214 1.00 0.00 C ATOM 126 C ARG A 12 -13.316 0.431 -3.782 1.00 0.00 C ATOM 127 O ARG A 12 -14.177 -0.224 -3.196 1.00 0.00 O ATOM 128 CB ARG A 12 -14.954 1.467 -5.364 1.00 0.00 C ATOM 129 CG ARG A 12 -15.252 2.007 -6.753 1.00 0.00 C ATOM 130 CD ARG A 12 -15.823 0.928 -7.660 1.00 0.00 C ATOM 131 NE ARG A 12 -17.178 0.548 -7.272 1.00 0.00 N ATOM 132 CZ ARG A 12 -17.723 -0.629 -7.561 1.00 0.00 C ATOM 133 NH1 ARG A 12 -17.030 -1.535 -8.237 1.00 0.00 N ATOM 134 NH2 ARG A 12 -18.962 -0.901 -7.173 1.00 0.00 N ATOM 0 H ARG A 12 -14.117 -0.781 -6.307 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.819 1.704 -5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.670 0.680 -5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.103 2.263 -4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.959 2.833 -6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.338 2.407 -7.193 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.827 1.285 -8.690 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.178 0.050 -7.630 1.00 0.00 H new ATOM 0 HE ARG A 12 -17.737 1.223 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.077 -1.329 -8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.450 -2.438 -8.458 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -19.497 -0.206 -6.652 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -19.379 -1.805 -7.395 1.00 0.00 H new ATOM 148 N THR A 13 -12.155 0.761 -3.225 1.00 0.00 N ATOM 149 CA THR A 13 -11.820 0.363 -1.863 1.00 0.00 C ATOM 150 C THR A 13 -11.210 1.523 -1.085 1.00 0.00 C ATOM 151 O THR A 13 -10.377 2.263 -1.608 1.00 0.00 O ATOM 152 CB THR A 13 -10.836 -0.822 -1.851 1.00 0.00 C ATOM 153 OG1 THR A 13 -9.704 -0.528 -2.677 1.00 0.00 O ATOM 154 CG2 THR A 13 -11.513 -2.093 -2.343 1.00 0.00 C ATOM 0 H THR A 13 -11.431 1.303 -3.696 1.00 0.00 H new ATOM 0 HA THR A 13 -12.751 0.058 -1.385 1.00 0.00 H new ATOM 0 HB THR A 13 -10.505 -0.980 -0.825 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.083 -1.286 -2.662 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.798 -2.916 -2.326 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.356 -2.331 -1.694 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.870 -1.944 -3.362 1.00 0.00 H new ATOM 162 N GLN A 14 -11.630 1.675 0.167 1.00 0.00 N ATOM 163 CA GLN A 14 -11.124 2.746 1.017 1.00 0.00 C ATOM 164 C GLN A 14 -10.304 2.182 2.173 1.00 0.00 C ATOM 165 O GLN A 14 -10.497 1.038 2.585 1.00 0.00 O ATOM 166 CB GLN A 14 -12.282 3.585 1.560 1.00 0.00 C ATOM 167 CG GLN A 14 -13.194 2.823 2.508 1.00 0.00 C ATOM 168 CD GLN A 14 -14.170 3.728 3.233 1.00 0.00 C ATOM 169 OE1 GLN A 14 -15.252 4.026 2.727 1.00 0.00 O ATOM 170 NE2 GLN A 14 -13.792 4.171 4.426 1.00 0.00 N ATOM 0 H GLN A 14 -12.319 1.070 0.615 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.477 3.381 0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -11.878 4.454 2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.872 3.959 0.723 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.749 2.072 1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.587 2.290 3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.886 3.899 4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.408 4.784 4.961 1.00 0.00 H new ATOM 179 N PHE A 15 -9.387 2.993 2.691 1.00 0.00 N ATOM 180 CA PHE A 15 -8.536 2.574 3.799 1.00 0.00 C ATOM 181 C PHE A 15 -8.836 3.389 5.054 1.00 0.00 C ATOM 182 O PHE A 15 -8.999 4.607 4.991 1.00 0.00 O ATOM 183 CB PHE A 15 -7.061 2.724 3.421 1.00 0.00 C ATOM 184 CG PHE A 15 -6.508 1.539 2.681 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.306 0.332 3.332 1.00 0.00 C ATOM 186 CD2 PHE A 15 -6.191 1.632 1.336 1.00 0.00 C ATOM 187 CE1 PHE A 15 -5.797 -0.759 2.654 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.682 0.543 0.652 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.486 -0.654 1.312 1.00 0.00 C ATOM 0 H PHE A 15 -9.214 3.943 2.362 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.746 1.525 4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.941 3.615 2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.476 2.882 4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.549 0.243 4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.343 2.566 0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.642 -1.693 3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.438 0.629 -0.397 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.090 -1.507 0.780 1.00 0.00 H new ATOM 199 N SER A 16 -8.908 2.707 6.192 1.00 0.00 N ATOM 200 CA SER A 16 -9.193 3.365 7.461 1.00 0.00 C ATOM 201 C SER A 16 -7.901 3.716 8.194 1.00 0.00 C ATOM 202 O SER A 16 -6.893 3.022 8.062 1.00 0.00 O ATOM 203 CB SER A 16 -10.064 2.467 8.342 1.00 0.00 C ATOM 204 OG SER A 16 -10.551 3.175 9.468 1.00 0.00 O ATOM 0 H SER A 16 -8.773 1.698 6.261 1.00 0.00 H new ATOM 0 HA SER A 16 -9.733 4.288 7.249 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.902 2.083 7.760 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.485 1.605 8.673 1.00 0.00 H new ATOM 0 HG SER A 16 -11.475 3.456 9.303 1.00 0.00 H new ATOM 210 N ASP A 17 -7.941 4.797 8.965 1.00 0.00 N ATOM 211 CA ASP A 17 -6.775 5.240 9.719 1.00 0.00 C ATOM 212 C ASP A 17 -6.020 4.050 10.303 1.00 0.00 C ATOM 213 O ASP A 17 -4.795 3.973 10.211 1.00 0.00 O ATOM 214 CB ASP A 17 -7.198 6.191 10.841 1.00 0.00 C ATOM 215 CG ASP A 17 -8.217 5.568 11.774 1.00 0.00 C ATOM 216 OD1 ASP A 17 -9.377 5.387 11.349 1.00 0.00 O ATOM 217 OD2 ASP A 17 -7.855 5.263 12.930 1.00 0.00 O ATOM 0 H ASP A 17 -8.768 5.382 9.084 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.111 5.768 9.035 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.319 6.487 11.413 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.615 7.099 10.406 1.00 0.00 H new ATOM 222 N ARG A 18 -6.760 3.124 10.904 1.00 0.00 N ATOM 223 CA ARG A 18 -6.160 1.938 11.505 1.00 0.00 C ATOM 224 C ARG A 18 -5.328 1.172 10.481 1.00 0.00 C ATOM 225 O ARG A 18 -4.190 0.788 10.752 1.00 0.00 O ATOM 226 CB ARG A 18 -7.246 1.028 12.081 1.00 0.00 C ATOM 227 CG ARG A 18 -8.279 0.589 11.057 1.00 0.00 C ATOM 228 CD ARG A 18 -9.490 -0.046 11.723 1.00 0.00 C ATOM 229 NE ARG A 18 -10.711 0.160 10.950 1.00 0.00 N ATOM 230 CZ ARG A 18 -11.464 1.250 11.042 1.00 0.00 C ATOM 231 NH1 ARG A 18 -11.123 2.228 11.870 1.00 0.00 N ATOM 232 NH2 ARG A 18 -12.562 1.364 10.305 1.00 0.00 N ATOM 0 H ARG A 18 -7.775 3.172 10.988 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.502 2.262 12.312 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.776 0.144 12.513 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.751 1.549 12.894 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.596 1.449 10.467 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.828 -0.123 10.366 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.316 -1.115 11.848 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.617 0.375 12.720 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.002 -0.574 10.304 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.280 2.144 12.438 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.703 3.064 11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.828 0.614 9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.140 2.202 10.377 1.00 0.00 H new ATOM 246 N ASP A 19 -5.905 0.951 9.304 1.00 0.00 N ATOM 247 CA ASP A 19 -5.217 0.231 8.239 1.00 0.00 C ATOM 248 C ASP A 19 -3.977 0.991 7.781 1.00 0.00 C ATOM 249 O ASP A 19 -2.852 0.510 7.924 1.00 0.00 O ATOM 250 CB ASP A 19 -6.159 0.007 7.055 1.00 0.00 C ATOM 251 CG ASP A 19 -7.225 -1.030 7.352 1.00 0.00 C ATOM 252 OD1 ASP A 19 -8.180 -0.705 8.088 1.00 0.00 O ATOM 253 OD2 ASP A 19 -7.104 -2.167 6.848 1.00 0.00 O ATOM 0 H ASP A 19 -6.847 1.260 9.064 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.903 -0.736 8.632 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.637 0.950 6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.579 -0.310 6.188 1.00 0.00 H new ATOM 258 N LEU A 20 -4.189 2.181 7.229 1.00 0.00 N ATOM 259 CA LEU A 20 -3.088 3.009 6.749 1.00 0.00 C ATOM 260 C LEU A 20 -1.864 2.861 7.647 1.00 0.00 C ATOM 261 O LEU A 20 -0.743 2.705 7.163 1.00 0.00 O ATOM 262 CB LEU A 20 -3.516 4.476 6.688 1.00 0.00 C ATOM 263 CG LEU A 20 -4.338 4.886 5.466 1.00 0.00 C ATOM 264 CD1 LEU A 20 -4.884 6.295 5.637 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.497 4.788 4.201 1.00 0.00 C ATOM 0 H LEU A 20 -5.113 2.594 7.103 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.823 2.673 5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.096 4.702 7.583 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.621 5.096 6.723 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.181 4.201 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.466 6.569 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.521 6.333 6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.056 6.994 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.098 5.083 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.634 5.449 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.156 3.761 4.070 1.00 0.00 H new ATOM 277 N ALA A 21 -2.087 2.910 8.956 1.00 0.00 N ATOM 278 CA ALA A 21 -1.003 2.777 9.921 1.00 0.00 C ATOM 279 C ALA A 21 0.012 1.733 9.467 1.00 0.00 C ATOM 280 O ALA A 21 1.218 1.979 9.475 1.00 0.00 O ATOM 281 CB ALA A 21 -1.557 2.417 11.291 1.00 0.00 C ATOM 0 H ALA A 21 -3.009 3.041 9.373 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.491 3.737 9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.736 2.321 12.002 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.237 3.200 11.626 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.096 1.471 11.229 1.00 0.00 H new ATOM 287 N THR A 22 -0.485 0.565 9.072 1.00 0.00 N ATOM 288 CA THR A 22 0.378 -0.518 8.617 1.00 0.00 C ATOM 289 C THR A 22 1.207 -0.090 7.411 1.00 0.00 C ATOM 290 O THR A 22 2.438 -0.122 7.449 1.00 0.00 O ATOM 291 CB THR A 22 -0.440 -1.769 8.245 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.265 -2.161 9.347 1.00 0.00 O ATOM 293 CG2 THR A 22 0.477 -2.920 7.858 1.00 0.00 C ATOM 0 H THR A 22 -1.481 0.345 9.058 1.00 0.00 H new ATOM 0 HA THR A 22 1.044 -0.761 9.445 1.00 0.00 H new ATOM 0 HB THR A 22 -1.069 -1.523 7.390 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.783 -2.956 9.101 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.123 -3.792 7.599 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.083 -2.629 7.000 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.129 -3.164 8.697 1.00 0.00 H new ATOM 301 N LEU A 23 0.527 0.311 6.343 1.00 0.00 N ATOM 302 CA LEU A 23 1.202 0.747 5.125 1.00 0.00 C ATOM 303 C LEU A 23 2.190 1.870 5.423 1.00 0.00 C ATOM 304 O LEU A 23 3.395 1.722 5.215 1.00 0.00 O ATOM 305 CB LEU A 23 0.177 1.215 4.091 1.00 0.00 C ATOM 306 CG LEU A 23 -0.434 0.124 3.210 1.00 0.00 C ATOM 307 CD1 LEU A 23 -1.753 0.593 2.617 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.535 -0.278 2.109 1.00 0.00 C ATOM 0 H LEU A 23 -0.491 0.343 6.295 1.00 0.00 H new ATOM 0 HA LEU A 23 1.755 -0.101 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.631 1.726 4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.653 1.952 3.444 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.629 -0.750 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.173 -0.196 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.450 0.829 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.583 1.483 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.083 -1.055 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.763 0.590 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.455 -0.657 2.554 1.00 0.00 H new ATOM 320 N LYS A 24 1.673 2.991 5.912 1.00 0.00 N ATOM 321 CA LYS A 24 2.510 4.139 6.242 1.00 0.00 C ATOM 322 C LYS A 24 3.779 3.698 6.963 1.00 0.00 C ATOM 323 O LYS A 24 4.857 4.251 6.740 1.00 0.00 O ATOM 324 CB LYS A 24 1.733 5.129 7.114 1.00 0.00 C ATOM 325 CG LYS A 24 0.831 6.060 6.321 1.00 0.00 C ATOM 326 CD LYS A 24 -0.096 6.846 7.232 1.00 0.00 C ATOM 327 CE LYS A 24 0.670 7.863 8.065 1.00 0.00 C ATOM 328 NZ LYS A 24 1.161 9.000 7.238 1.00 0.00 N ATOM 0 H LYS A 24 0.678 3.130 6.089 1.00 0.00 H new ATOM 0 HA LYS A 24 2.794 4.629 5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.128 4.573 7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.440 5.726 7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.441 6.750 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.240 5.480 5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.849 7.358 6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.627 6.160 7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.025 8.242 8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.516 7.374 8.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.527 9.749 7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.921 8.670 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.378 9.377 6.666 1.00 0.00 H new ATOM 342 N LYS A 25 3.646 2.699 7.829 1.00 0.00 N ATOM 343 CA LYS A 25 4.782 2.180 8.581 1.00 0.00 C ATOM 344 C LYS A 25 5.939 1.835 7.650 1.00 0.00 C ATOM 345 O LYS A 25 7.072 2.268 7.863 1.00 0.00 O ATOM 346 CB LYS A 25 4.369 0.942 9.380 1.00 0.00 C ATOM 347 CG LYS A 25 5.291 0.636 10.548 1.00 0.00 C ATOM 348 CD LYS A 25 4.953 1.486 11.762 1.00 0.00 C ATOM 349 CE LYS A 25 6.122 1.559 12.733 1.00 0.00 C ATOM 350 NZ LYS A 25 5.823 2.442 13.894 1.00 0.00 N ATOM 0 H LYS A 25 2.761 2.232 8.028 1.00 0.00 H new ATOM 0 HA LYS A 25 5.113 2.956 9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.356 1.084 9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.344 0.081 8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.212 -0.420 10.808 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.325 0.815 10.253 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.683 2.492 11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.083 1.069 12.269 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.361 0.557 13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.005 1.930 12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.644 2.466 14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.620 3.404 13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.996 2.074 14.406 1.00 0.00 H new ATOM 364 N TYR A 26 5.648 1.053 6.616 1.00 0.00 N ATOM 365 CA TYR A 26 6.664 0.649 5.653 1.00 0.00 C ATOM 366 C TYR A 26 7.183 1.852 4.871 1.00 0.00 C ATOM 367 O TYR A 26 8.355 1.905 4.498 1.00 0.00 O ATOM 368 CB TYR A 26 6.097 -0.394 4.688 1.00 0.00 C ATOM 369 CG TYR A 26 6.120 -1.803 5.237 1.00 0.00 C ATOM 370 CD1 TYR A 26 7.321 -2.436 5.528 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.940 -2.500 5.464 1.00 0.00 C ATOM 372 CE1 TYR A 26 7.347 -3.724 6.029 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.956 -3.787 5.966 1.00 0.00 C ATOM 374 CZ TYR A 26 6.162 -4.394 6.247 1.00 0.00 C ATOM 375 OH TYR A 26 6.182 -5.677 6.746 1.00 0.00 O ATOM 0 H TYR A 26 4.716 0.686 6.424 1.00 0.00 H new ATOM 0 HA TYR A 26 7.496 0.210 6.204 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.070 -0.127 4.440 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.667 -0.366 3.759 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.251 -1.913 5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.994 -2.028 5.244 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.290 -4.203 6.248 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.029 -4.315 6.137 1.00 0.00 H new ATOM 0 HH TYR A 26 5.264 -6.005 6.842 1.00 0.00 H new ATOM 385 N TRP A 27 6.303 2.815 4.628 1.00 0.00 N ATOM 386 CA TRP A 27 6.671 4.019 3.891 1.00 0.00 C ATOM 387 C TRP A 27 7.869 4.707 4.536 1.00 0.00 C ATOM 388 O TRP A 27 8.673 5.343 3.854 1.00 0.00 O ATOM 389 CB TRP A 27 5.486 4.985 3.827 1.00 0.00 C ATOM 390 CG TRP A 27 5.758 6.203 2.998 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.410 7.336 3.394 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.382 6.412 1.632 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.463 8.236 2.357 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.840 7.692 1.265 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.706 5.641 0.683 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.641 8.217 -0.010 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.509 6.163 -0.581 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.976 7.440 -0.919 1.00 0.00 C ATOM 0 H TRP A 27 5.329 2.787 4.930 1.00 0.00 H new ATOM 0 HA TRP A 27 6.946 3.725 2.878 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.621 4.462 3.419 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.223 5.294 4.839 1.00 0.00 H new ATOM 0 HD1 TRP A 27 6.823 7.500 4.378 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.896 9.159 2.394 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.344 4.655 0.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 5.999 9.202 -0.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.986 5.576 -1.322 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.808 7.818 -1.916 1.00 0.00 H new ATOM 409 N ASP A 28 7.983 4.575 5.853 1.00 0.00 N ATOM 410 CA ASP A 28 9.084 5.184 6.590 1.00 0.00 C ATOM 411 C ASP A 28 10.423 4.609 6.138 1.00 0.00 C ATOM 412 O ASP A 28 11.479 5.178 6.414 1.00 0.00 O ATOM 413 CB ASP A 28 8.903 4.966 8.093 1.00 0.00 C ATOM 414 CG ASP A 28 10.213 5.040 8.851 1.00 0.00 C ATOM 415 OD1 ASP A 28 11.029 4.104 8.721 1.00 0.00 O ATOM 416 OD2 ASP A 28 10.424 6.036 9.575 1.00 0.00 O ATOM 0 H ASP A 28 7.326 4.052 6.432 1.00 0.00 H new ATOM 0 HA ASP A 28 9.079 6.254 6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.217 5.716 8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.443 3.993 8.263 1.00 0.00 H new ATOM 421 N ASN A 29 10.371 3.477 5.444 1.00 0.00 N ATOM 422 CA ASN A 29 11.580 2.824 4.955 1.00 0.00 C ATOM 423 C ASN A 29 11.741 3.031 3.452 1.00 0.00 C ATOM 424 O ASN A 29 12.377 2.230 2.769 1.00 0.00 O ATOM 425 CB ASN A 29 11.541 1.327 5.273 1.00 0.00 C ATOM 426 CG ASN A 29 12.927 0.731 5.421 1.00 0.00 C ATOM 427 OD1 ASN A 29 13.794 1.302 6.083 1.00 0.00 O ATOM 428 ND2 ASN A 29 13.143 -0.424 4.802 1.00 0.00 N ATOM 0 H ASN A 29 9.505 2.993 5.208 1.00 0.00 H new ATOM 0 HA ASN A 29 12.435 3.274 5.460 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.980 1.169 6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.006 0.804 4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.057 -0.873 4.865 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.395 -0.862 4.264 1.00 0.00 H new ATOM 435 N GLY A 30 11.160 4.114 2.944 1.00 0.00 N ATOM 436 CA GLY A 30 11.251 4.408 1.526 1.00 0.00 C ATOM 437 C GLY A 30 10.421 3.461 0.683 1.00 0.00 C ATOM 438 O GLY A 30 10.844 3.044 -0.395 1.00 0.00 O ATOM 0 H GLY A 30 10.628 4.793 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.921 5.432 1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.293 4.350 1.212 1.00 0.00 H new ATOM 442 N MET A 31 9.235 3.118 1.175 1.00 0.00 N ATOM 443 CA MET A 31 8.343 2.213 0.460 1.00 0.00 C ATOM 444 C MET A 31 7.623 2.940 -0.671 1.00 0.00 C ATOM 445 O MET A 31 6.411 2.805 -0.838 1.00 0.00 O ATOM 446 CB MET A 31 7.321 1.603 1.421 1.00 0.00 C ATOM 447 CG MET A 31 6.826 0.231 0.992 1.00 0.00 C ATOM 448 SD MET A 31 5.193 -0.155 1.650 1.00 0.00 S ATOM 449 CE MET A 31 4.244 1.236 1.039 1.00 0.00 C ATOM 0 H MET A 31 8.869 3.453 2.066 1.00 0.00 H new ATOM 0 HA MET A 31 8.947 1.414 0.029 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.768 1.525 2.412 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.469 2.277 1.508 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.795 0.184 -0.097 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.536 -0.527 1.324 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.197 0.949 0.944 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.330 2.069 1.736 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.627 1.538 0.064 1.00 0.00 H new ATOM 459 N THR A 32 8.378 3.713 -1.447 1.00 0.00 N ATOM 460 CA THR A 32 7.811 4.464 -2.560 1.00 0.00 C ATOM 461 C THR A 32 7.937 3.687 -3.866 1.00 0.00 C ATOM 462 O THR A 32 7.035 3.712 -4.703 1.00 0.00 O ATOM 463 CB THR A 32 8.498 5.833 -2.722 1.00 0.00 C ATOM 464 OG1 THR A 32 9.879 5.652 -3.056 1.00 0.00 O ATOM 465 CG2 THR A 32 8.383 6.650 -1.445 1.00 0.00 C ATOM 0 H THR A 32 9.383 3.835 -1.325 1.00 0.00 H new ATOM 0 HA THR A 32 6.757 4.620 -2.332 1.00 0.00 H new ATOM 0 HB THR A 32 7.998 6.373 -3.526 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.308 6.527 -3.159 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.875 7.613 -1.583 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.331 6.811 -1.210 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.860 6.113 -0.625 1.00 0.00 H new ATOM 473 N SER A 33 9.061 2.998 -4.034 1.00 0.00 N ATOM 474 CA SER A 33 9.305 2.216 -5.241 1.00 0.00 C ATOM 475 C SER A 33 8.318 1.058 -5.347 1.00 0.00 C ATOM 476 O SER A 33 7.769 0.601 -4.344 1.00 0.00 O ATOM 477 CB SER A 33 10.739 1.682 -5.245 1.00 0.00 C ATOM 478 OG SER A 33 11.221 1.528 -6.569 1.00 0.00 O ATOM 0 H SER A 33 9.817 2.965 -3.350 1.00 0.00 H new ATOM 0 HA SER A 33 9.165 2.869 -6.103 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.387 2.365 -4.696 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.775 0.723 -4.727 1.00 0.00 H new ATOM 0 HG SER A 33 12.201 1.502 -6.560 1.00 0.00 H new ATOM 484 N LEU A 34 8.097 0.588 -6.570 1.00 0.00 N ATOM 485 CA LEU A 34 7.176 -0.517 -6.809 1.00 0.00 C ATOM 486 C LEU A 34 7.936 -1.800 -7.130 1.00 0.00 C ATOM 487 O LEU A 34 7.512 -2.894 -6.761 1.00 0.00 O ATOM 488 CB LEU A 34 6.224 -0.174 -7.957 1.00 0.00 C ATOM 489 CG LEU A 34 5.026 0.706 -7.596 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.592 1.535 -8.795 1.00 0.00 C ATOM 491 CD2 LEU A 34 3.873 -0.147 -7.088 1.00 0.00 C ATOM 0 H LEU A 34 8.543 0.955 -7.411 1.00 0.00 H new ATOM 0 HA LEU A 34 6.597 -0.678 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.795 0.327 -8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.850 -1.105 -8.383 1.00 0.00 H new ATOM 0 HG LEU A 34 5.326 1.387 -6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.739 2.155 -8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.416 2.173 -9.113 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.310 0.872 -9.613 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.029 0.495 -6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.573 -0.852 -7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.190 -0.695 -6.201 1.00 0.00 H new ATOM 503 N GLY A 35 9.064 -1.656 -7.820 1.00 0.00 N ATOM 504 CA GLY A 35 9.867 -2.811 -8.177 1.00 0.00 C ATOM 505 C GLY A 35 10.144 -3.714 -6.991 1.00 0.00 C ATOM 506 O GLY A 35 9.743 -3.413 -5.867 1.00 0.00 O ATOM 0 H GLY A 35 9.435 -0.761 -8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.354 -3.381 -8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.813 -2.475 -8.602 1.00 0.00 H new ATOM 510 N SER A 36 10.830 -4.824 -7.242 1.00 0.00 N ATOM 511 CA SER A 36 11.155 -5.777 -6.187 1.00 0.00 C ATOM 512 C SER A 36 11.770 -5.067 -4.985 1.00 0.00 C ATOM 513 O SER A 36 11.442 -5.367 -3.837 1.00 0.00 O ATOM 514 CB SER A 36 12.119 -6.842 -6.712 1.00 0.00 C ATOM 515 OG SER A 36 11.417 -7.901 -7.340 1.00 0.00 O ATOM 0 H SER A 36 11.172 -5.086 -8.167 1.00 0.00 H new ATOM 0 HA SER A 36 10.230 -6.259 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.813 -6.391 -7.421 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.715 -7.235 -5.888 1.00 0.00 H new ATOM 0 HG SER A 36 12.056 -8.568 -7.668 1.00 0.00 H new ATOM 521 N VAL A 37 12.665 -4.122 -5.257 1.00 0.00 N ATOM 522 CA VAL A 37 13.326 -3.367 -4.200 1.00 0.00 C ATOM 523 C VAL A 37 12.376 -3.102 -3.037 1.00 0.00 C ATOM 524 O VAL A 37 12.775 -3.147 -1.873 1.00 0.00 O ATOM 525 CB VAL A 37 13.867 -2.023 -4.723 1.00 0.00 C ATOM 526 CG1 VAL A 37 15.036 -2.250 -5.669 1.00 0.00 C ATOM 527 CG2 VAL A 37 12.761 -1.235 -5.409 1.00 0.00 C ATOM 0 H VAL A 37 12.949 -3.861 -6.201 1.00 0.00 H new ATOM 0 HA VAL A 37 14.161 -3.975 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 37 14.225 -1.440 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.405 -1.289 -6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.835 -2.771 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.707 -2.852 -6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.160 -0.288 -5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.371 -1.811 -6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.958 -1.041 -4.698 1.00 0.00 H new ATOM 537 N CYS A 38 11.117 -2.827 -3.361 1.00 0.00 N ATOM 538 CA CYS A 38 10.108 -2.555 -2.343 1.00 0.00 C ATOM 539 C CYS A 38 9.104 -3.698 -2.253 1.00 0.00 C ATOM 540 O CYS A 38 8.622 -4.031 -1.170 1.00 0.00 O ATOM 541 CB CYS A 38 9.382 -1.245 -2.653 1.00 0.00 C ATOM 542 SG CYS A 38 10.186 0.224 -1.971 1.00 0.00 S ATOM 0 H CYS A 38 10.771 -2.787 -4.320 1.00 0.00 H new ATOM 0 HA CYS A 38 10.613 -2.464 -1.381 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.302 -1.133 -3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.366 -1.304 -2.263 1.00 0.00 H new ATOM 0 HG CYS A 38 9.399 1.250 -2.102 1.00 0.00 H new ATOM 548 N ARG A 39 8.790 -4.295 -3.398 1.00 0.00 N ATOM 549 CA ARG A 39 7.840 -5.400 -3.449 1.00 0.00 C ATOM 550 C ARG A 39 7.990 -6.302 -2.228 1.00 0.00 C ATOM 551 O ARG A 39 7.001 -6.692 -1.608 1.00 0.00 O ATOM 552 CB ARG A 39 8.042 -6.216 -4.728 1.00 0.00 C ATOM 553 CG ARG A 39 6.785 -6.924 -5.203 1.00 0.00 C ATOM 554 CD ARG A 39 6.890 -7.324 -6.667 1.00 0.00 C ATOM 555 NE ARG A 39 6.040 -8.468 -6.984 1.00 0.00 N ATOM 556 CZ ARG A 39 5.641 -8.768 -8.215 1.00 0.00 C ATOM 557 NH1 ARG A 39 6.014 -8.012 -9.239 1.00 0.00 N ATOM 558 NH2 ARG A 39 4.868 -9.826 -8.424 1.00 0.00 N ATOM 0 H ARG A 39 9.180 -4.032 -4.303 1.00 0.00 H new ATOM 0 HA ARG A 39 6.834 -4.982 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.397 -5.555 -5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.823 -6.957 -4.557 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.614 -7.811 -4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.924 -6.271 -5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.609 -6.479 -7.295 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.926 -7.566 -6.903 1.00 0.00 H new ATOM 0 HE ARG A 39 5.736 -9.070 -6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.609 -7.198 -9.082 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.706 -8.244 -10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.580 -10.410 -7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.562 -10.055 -9.370 1.00 0.00 H new ATOM 572 N GLU A 40 9.233 -6.631 -1.890 1.00 0.00 N ATOM 573 CA GLU A 40 9.510 -7.488 -0.744 1.00 0.00 C ATOM 574 C GLU A 40 8.698 -7.052 0.472 1.00 0.00 C ATOM 575 O GLU A 40 8.102 -7.878 1.164 1.00 0.00 O ATOM 576 CB GLU A 40 11.003 -7.462 -0.409 1.00 0.00 C ATOM 577 CG GLU A 40 11.859 -8.255 -1.383 1.00 0.00 C ATOM 578 CD GLU A 40 13.338 -8.176 -1.057 1.00 0.00 C ATOM 579 OE1 GLU A 40 13.754 -7.181 -0.427 1.00 0.00 O ATOM 580 OE2 GLU A 40 14.079 -9.109 -1.432 1.00 0.00 O ATOM 0 H GLU A 40 10.063 -6.317 -2.393 1.00 0.00 H new ATOM 0 HA GLU A 40 9.221 -8.506 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.346 -6.427 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.148 -7.859 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.544 -9.298 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.693 -7.882 -2.394 1.00 0.00 H new ATOM 587 N LYS A 41 8.679 -5.748 0.726 1.00 0.00 N ATOM 588 CA LYS A 41 7.940 -5.200 1.857 1.00 0.00 C ATOM 589 C LYS A 41 6.440 -5.203 1.580 1.00 0.00 C ATOM 590 O LYS A 41 5.636 -5.487 2.469 1.00 0.00 O ATOM 591 CB LYS A 41 8.410 -3.774 2.157 1.00 0.00 C ATOM 592 CG LYS A 41 9.894 -3.676 2.467 1.00 0.00 C ATOM 593 CD LYS A 41 10.239 -4.377 3.770 1.00 0.00 C ATOM 594 CE LYS A 41 11.740 -4.571 3.918 1.00 0.00 C ATOM 595 NZ LYS A 41 12.092 -5.209 5.217 1.00 0.00 N ATOM 0 H LYS A 41 9.167 -5.051 0.164 1.00 0.00 H new ATOM 0 HA LYS A 41 8.133 -5.831 2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.183 -3.138 1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.844 -3.384 3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.467 -4.118 1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.185 -2.627 2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.862 -3.793 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.741 -5.346 3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.109 -5.188 3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.240 -3.606 3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.124 -5.324 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.763 -4.608 5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.636 -6.141 5.281 1.00 0.00 H new ATOM 609 N ILE A 42 6.070 -4.888 0.343 1.00 0.00 N ATOM 610 CA ILE A 42 4.667 -4.858 -0.050 1.00 0.00 C ATOM 611 C ILE A 42 4.011 -6.221 0.148 1.00 0.00 C ATOM 612 O ILE A 42 2.847 -6.310 0.536 1.00 0.00 O ATOM 613 CB ILE A 42 4.503 -4.431 -1.520 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.968 -2.985 -1.709 1.00 0.00 C ATOM 615 CG2 ILE A 42 3.055 -4.589 -1.960 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.355 -2.656 -3.133 1.00 0.00 C ATOM 0 H ILE A 42 6.723 -4.650 -0.404 1.00 0.00 H new ATOM 0 HA ILE A 42 4.176 -4.125 0.590 1.00 0.00 H new ATOM 0 HB ILE A 42 5.123 -5.077 -2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.171 -2.312 -1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.821 -2.798 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.956 -4.283 -3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.756 -5.632 -1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.415 -3.965 -1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.674 -1.615 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.173 -3.305 -3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.498 -2.810 -3.788 1.00 0.00 H new ATOM 628 N GLU A 43 4.768 -7.280 -0.121 1.00 0.00 N ATOM 629 CA GLU A 43 4.260 -8.639 0.029 1.00 0.00 C ATOM 630 C GLU A 43 3.756 -8.878 1.449 1.00 0.00 C ATOM 631 O GLU A 43 2.904 -9.735 1.680 1.00 0.00 O ATOM 632 CB GLU A 43 5.351 -9.656 -0.315 1.00 0.00 C ATOM 633 CG GLU A 43 5.756 -9.642 -1.780 1.00 0.00 C ATOM 634 CD GLU A 43 6.228 -10.998 -2.267 1.00 0.00 C ATOM 635 OE1 GLU A 43 7.414 -11.326 -2.051 1.00 0.00 O ATOM 636 OE2 GLU A 43 5.413 -11.731 -2.865 1.00 0.00 O ATOM 0 H GLU A 43 5.734 -7.223 -0.444 1.00 0.00 H new ATOM 0 HA GLU A 43 3.425 -8.765 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.230 -9.455 0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.001 -10.654 -0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.909 -9.318 -2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.551 -8.911 -1.927 1.00 0.00 H new ATOM 643 N ALA A 44 4.291 -8.115 2.397 1.00 0.00 N ATOM 644 CA ALA A 44 3.895 -8.242 3.794 1.00 0.00 C ATOM 645 C ALA A 44 2.643 -7.422 4.086 1.00 0.00 C ATOM 646 O ALA A 44 1.599 -7.969 4.441 1.00 0.00 O ATOM 647 CB ALA A 44 5.035 -7.813 4.706 1.00 0.00 C ATOM 0 H ALA A 44 5.000 -7.403 2.223 1.00 0.00 H new ATOM 0 HA ALA A 44 3.664 -9.290 3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.726 -7.913 5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.904 -8.445 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.293 -6.774 4.502 1.00 0.00 H new ATOM 653 N VAL A 45 2.755 -6.106 3.936 1.00 0.00 N ATOM 654 CA VAL A 45 1.632 -5.210 4.184 1.00 0.00 C ATOM 655 C VAL A 45 0.366 -5.713 3.499 1.00 0.00 C ATOM 656 O VAL A 45 -0.747 -5.394 3.917 1.00 0.00 O ATOM 657 CB VAL A 45 1.935 -3.781 3.695 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.020 -3.743 2.177 1.00 0.00 C ATOM 659 CG2 VAL A 45 0.880 -2.810 4.203 1.00 0.00 C ATOM 0 H VAL A 45 3.612 -5.637 3.644 1.00 0.00 H new ATOM 0 HA VAL A 45 1.475 -5.191 5.262 1.00 0.00 H new ATOM 0 HB VAL A 45 2.901 -3.475 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.235 -2.726 1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.816 -4.408 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.071 -4.068 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.109 -1.805 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.100 -3.111 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.873 -2.817 5.293 1.00 0.00 H new ATOM 669 N ALA A 46 0.544 -6.501 2.444 1.00 0.00 N ATOM 670 CA ALA A 46 -0.583 -7.050 1.702 1.00 0.00 C ATOM 671 C ALA A 46 -1.191 -8.244 2.430 1.00 0.00 C ATOM 672 O ALA A 46 -2.412 -8.373 2.524 1.00 0.00 O ATOM 673 CB ALA A 46 -0.147 -7.451 0.300 1.00 0.00 C ATOM 0 H ALA A 46 1.459 -6.773 2.084 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.347 -6.276 1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.999 -7.860 -0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.233 -6.576 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.637 -8.205 0.365 1.00 0.00 H new ATOM 679 N THR A 47 -0.331 -9.118 2.945 1.00 0.00 N ATOM 680 CA THR A 47 -0.782 -10.303 3.663 1.00 0.00 C ATOM 681 C THR A 47 -1.286 -9.942 5.056 1.00 0.00 C ATOM 682 O THR A 47 -2.065 -10.683 5.655 1.00 0.00 O ATOM 683 CB THR A 47 0.344 -11.346 3.791 1.00 0.00 C ATOM 684 OG1 THR A 47 -0.205 -12.617 4.156 1.00 0.00 O ATOM 685 CG2 THR A 47 1.367 -10.913 4.830 1.00 0.00 C ATOM 0 H THR A 47 0.683 -9.027 2.878 1.00 0.00 H new ATOM 0 HA THR A 47 -1.599 -10.732 3.083 1.00 0.00 H new ATOM 0 HB THR A 47 0.843 -11.430 2.826 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.517 -13.275 4.234 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.152 -11.665 4.903 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.804 -9.959 4.535 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.878 -10.804 5.798 1.00 0.00 H new ATOM 693 N GLU A 48 -0.837 -8.799 5.566 1.00 0.00 N ATOM 694 CA GLU A 48 -1.244 -8.342 6.889 1.00 0.00 C ATOM 695 C GLU A 48 -2.643 -7.736 6.849 1.00 0.00 C ATOM 696 O GLU A 48 -3.455 -7.959 7.748 1.00 0.00 O ATOM 697 CB GLU A 48 -0.246 -7.314 7.426 1.00 0.00 C ATOM 698 CG GLU A 48 -0.750 -6.554 8.642 1.00 0.00 C ATOM 699 CD GLU A 48 -1.304 -7.472 9.715 1.00 0.00 C ATOM 700 OE1 GLU A 48 -0.588 -8.412 10.118 1.00 0.00 O ATOM 701 OE2 GLU A 48 -2.453 -7.250 10.151 1.00 0.00 O ATOM 0 H GLU A 48 -0.192 -8.174 5.083 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.260 -9.205 7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.683 -7.823 7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.010 -6.602 6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.065 -5.963 9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.526 -5.854 8.332 1.00 0.00 H new ATOM 708 N LEU A 49 -2.919 -6.968 5.801 1.00 0.00 N ATOM 709 CA LEU A 49 -4.220 -6.328 5.642 1.00 0.00 C ATOM 710 C LEU A 49 -5.202 -7.257 4.936 1.00 0.00 C ATOM 711 O LEU A 49 -6.379 -6.934 4.785 1.00 0.00 O ATOM 712 CB LEU A 49 -4.077 -5.025 4.854 1.00 0.00 C ATOM 713 CG LEU A 49 -3.364 -3.880 5.574 1.00 0.00 C ATOM 714 CD1 LEU A 49 -3.153 -2.705 4.631 1.00 0.00 C ATOM 715 CD2 LEU A 49 -4.153 -3.446 6.800 1.00 0.00 C ATOM 0 H LEU A 49 -2.259 -6.773 5.048 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.610 -6.104 6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.538 -5.239 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.073 -4.685 4.570 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.388 -4.236 5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.644 -1.900 5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.545 -3.023 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.118 -2.349 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.630 -2.630 7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.144 -3.109 6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.252 -4.287 7.486 1.00 0.00 H new ATOM 727 N ASN A 50 -4.709 -8.414 4.507 1.00 0.00 N ATOM 728 CA ASN A 50 -5.543 -9.392 3.818 1.00 0.00 C ATOM 729 C ASN A 50 -6.102 -8.814 2.522 1.00 0.00 C ATOM 730 O ASN A 50 -7.281 -8.985 2.210 1.00 0.00 O ATOM 731 CB ASN A 50 -6.690 -9.844 4.725 1.00 0.00 C ATOM 732 CG ASN A 50 -6.267 -10.932 5.693 1.00 0.00 C ATOM 733 OD1 ASN A 50 -5.571 -10.669 6.674 1.00 0.00 O ATOM 734 ND2 ASN A 50 -6.687 -12.162 5.422 1.00 0.00 N ATOM 0 H ASN A 50 -3.736 -8.697 4.624 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.922 -10.253 3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.065 -8.988 5.286 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.514 -10.208 4.111 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.434 -12.935 6.038 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.262 -12.334 4.598 1.00 0.00 H new ATOM 741 N VAL A 51 -5.248 -8.127 1.770 1.00 0.00 N ATOM 742 CA VAL A 51 -5.655 -7.524 0.506 1.00 0.00 C ATOM 743 C VAL A 51 -4.695 -7.900 -0.617 1.00 0.00 C ATOM 744 O VAL A 51 -3.499 -8.081 -0.390 1.00 0.00 O ATOM 745 CB VAL A 51 -5.727 -5.989 0.614 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.722 -5.575 1.687 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.349 -5.411 0.902 1.00 0.00 C ATOM 0 H VAL A 51 -4.270 -7.974 2.014 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.647 -7.911 0.276 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.072 -5.591 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.759 -4.487 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.711 -5.958 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.410 -5.982 2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.418 -4.326 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.974 -5.815 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.667 -5.678 0.095 1.00 0.00 H new ATOM 757 N ASP A 52 -5.227 -8.015 -1.828 1.00 0.00 N ATOM 758 CA ASP A 52 -4.417 -8.368 -2.989 1.00 0.00 C ATOM 759 C ASP A 52 -3.224 -7.427 -3.125 1.00 0.00 C ATOM 760 O ASP A 52 -3.375 -6.205 -3.075 1.00 0.00 O ATOM 761 CB ASP A 52 -5.264 -8.324 -4.261 1.00 0.00 C ATOM 762 CG ASP A 52 -6.412 -9.313 -4.227 1.00 0.00 C ATOM 763 OD1 ASP A 52 -7.373 -9.080 -3.464 1.00 0.00 O ATOM 764 OD2 ASP A 52 -6.350 -10.322 -4.961 1.00 0.00 O ATOM 0 H ASP A 52 -6.216 -7.869 -2.032 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.043 -9.382 -2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.660 -7.317 -4.396 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.631 -8.536 -5.123 1.00 0.00 H new ATOM 769 N CYS A 53 -2.039 -8.003 -3.295 1.00 0.00 N ATOM 770 CA CYS A 53 -0.819 -7.216 -3.436 1.00 0.00 C ATOM 771 C CYS A 53 -1.077 -5.957 -4.259 1.00 0.00 C ATOM 772 O CYS A 53 -0.551 -4.887 -3.954 1.00 0.00 O ATOM 773 CB CYS A 53 0.279 -8.053 -4.092 1.00 0.00 C ATOM 774 SG CYS A 53 -0.215 -8.833 -5.647 1.00 0.00 S ATOM 0 H CYS A 53 -1.897 -9.012 -3.339 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.491 -6.917 -2.441 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.145 -7.417 -4.276 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.596 -8.828 -3.394 1.00 0.00 H new ATOM 0 HG CYS A 53 0.782 -9.517 -6.125 1.00 0.00 H new ATOM 780 N GLU A 54 -1.887 -6.095 -5.304 1.00 0.00 N ATOM 781 CA GLU A 54 -2.211 -4.969 -6.172 1.00 0.00 C ATOM 782 C GLU A 54 -2.790 -3.810 -5.366 1.00 0.00 C ATOM 783 O GLU A 54 -2.360 -2.664 -5.510 1.00 0.00 O ATOM 784 CB GLU A 54 -3.205 -5.399 -7.253 1.00 0.00 C ATOM 785 CG GLU A 54 -4.495 -5.978 -6.698 1.00 0.00 C ATOM 786 CD GLU A 54 -5.228 -6.843 -7.705 1.00 0.00 C ATOM 787 OE1 GLU A 54 -5.916 -6.280 -8.581 1.00 0.00 O ATOM 788 OE2 GLU A 54 -5.111 -8.083 -7.617 1.00 0.00 O ATOM 0 H GLU A 54 -2.330 -6.974 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.290 -4.634 -6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.442 -4.539 -7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.731 -6.140 -7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.271 -6.571 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.147 -5.164 -6.381 1.00 0.00 H new ATOM 795 N ILE A 55 -3.767 -4.115 -4.518 1.00 0.00 N ATOM 796 CA ILE A 55 -4.404 -3.100 -3.689 1.00 0.00 C ATOM 797 C ILE A 55 -3.373 -2.140 -3.106 1.00 0.00 C ATOM 798 O ILE A 55 -3.571 -0.925 -3.104 1.00 0.00 O ATOM 799 CB ILE A 55 -5.206 -3.735 -2.538 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.279 -4.674 -3.093 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.837 -2.654 -1.673 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.335 -3.968 -3.913 1.00 0.00 C ATOM 0 H ILE A 55 -4.134 -5.058 -4.387 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.087 -2.548 -4.335 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.525 -4.318 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.801 -5.435 -3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.761 -5.192 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.401 -3.118 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.055 -2.021 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.508 -2.047 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.062 -4.695 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.840 -3.226 -3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.865 -3.473 -4.763 1.00 0.00 H new ATOM 814 N VAL A 56 -2.269 -2.693 -2.613 1.00 0.00 N ATOM 815 CA VAL A 56 -1.204 -1.887 -2.029 1.00 0.00 C ATOM 816 C VAL A 56 -0.352 -1.235 -3.112 1.00 0.00 C ATOM 817 O VAL A 56 -0.285 -0.010 -3.210 1.00 0.00 O ATOM 818 CB VAL A 56 -0.297 -2.731 -1.115 1.00 0.00 C ATOM 819 CG1 VAL A 56 0.918 -1.927 -0.678 1.00 0.00 C ATOM 820 CG2 VAL A 56 -1.076 -3.235 0.091 1.00 0.00 C ATOM 0 H VAL A 56 -2.089 -3.697 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.685 -1.111 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 56 0.054 -3.596 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.547 -2.540 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.487 -1.622 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.591 -1.042 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.419 -3.830 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.458 -2.386 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.910 -3.851 -0.246 1.00 0.00 H new ATOM 830 N ARG A 57 0.298 -2.063 -3.923 1.00 0.00 N ATOM 831 CA ARG A 57 1.147 -1.567 -5.000 1.00 0.00 C ATOM 832 C ARG A 57 0.534 -0.332 -5.651 1.00 0.00 C ATOM 833 O ARG A 57 1.230 0.642 -5.942 1.00 0.00 O ATOM 834 CB ARG A 57 1.363 -2.658 -6.051 1.00 0.00 C ATOM 835 CG ARG A 57 2.478 -3.629 -5.701 1.00 0.00 C ATOM 836 CD ARG A 57 2.662 -4.680 -6.785 1.00 0.00 C ATOM 837 NE ARG A 57 1.476 -5.517 -6.943 1.00 0.00 N ATOM 838 CZ ARG A 57 1.203 -6.205 -8.047 1.00 0.00 C ATOM 839 NH1 ARG A 57 2.028 -6.155 -9.083 1.00 0.00 N ATOM 840 NH2 ARG A 57 0.104 -6.944 -8.114 1.00 0.00 N ATOM 0 H ARG A 57 0.253 -3.080 -3.855 1.00 0.00 H new ATOM 0 HA ARG A 57 2.110 -1.289 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.435 -3.215 -6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.589 -2.189 -7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.410 -3.080 -5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.252 -4.118 -4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.888 -4.189 -7.732 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.519 -5.308 -6.540 1.00 0.00 H new ATOM 0 HE ARG A 57 0.821 -5.577 -6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.874 -5.588 -9.034 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.817 -6.684 -9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.533 -6.985 -7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.105 -7.472 -8.962 1.00 0.00 H new ATOM 854 N THR A 58 -0.775 -0.377 -5.880 1.00 0.00 N ATOM 855 CA THR A 58 -1.482 0.737 -6.498 1.00 0.00 C ATOM 856 C THR A 58 -1.468 1.966 -5.597 1.00 0.00 C ATOM 857 O THR A 58 -1.268 3.087 -6.064 1.00 0.00 O ATOM 858 CB THR A 58 -2.943 0.367 -6.819 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.985 -0.841 -7.587 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.629 1.486 -7.586 1.00 0.00 C ATOM 0 H THR A 58 -1.367 -1.174 -5.646 1.00 0.00 H new ATOM 0 HA THR A 58 -0.960 0.965 -7.427 1.00 0.00 H new ATOM 0 HB THR A 58 -3.472 0.217 -5.878 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.783 -1.605 -7.007 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.659 1.201 -7.801 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.622 2.396 -6.986 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.099 1.664 -8.522 1.00 0.00 H new ATOM 868 N TRP A 59 -1.679 1.748 -4.304 1.00 0.00 N ATOM 869 CA TRP A 59 -1.690 2.839 -3.337 1.00 0.00 C ATOM 870 C TRP A 59 -0.381 3.620 -3.383 1.00 0.00 C ATOM 871 O TRP A 59 -0.381 4.851 -3.349 1.00 0.00 O ATOM 872 CB TRP A 59 -1.924 2.296 -1.926 1.00 0.00 C ATOM 873 CG TRP A 59 -1.762 3.333 -0.856 1.00 0.00 C ATOM 874 CD1 TRP A 59 -2.720 4.190 -0.394 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.571 3.621 -0.115 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.196 4.995 0.589 1.00 0.00 N ATOM 877 CE2 TRP A 59 -0.880 4.665 0.779 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.725 3.099 -0.119 1.00 0.00 C ATOM 879 CZ2 TRP A 59 0.062 5.195 1.658 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.658 3.625 0.754 1.00 0.00 C ATOM 881 CH2 TRP A 59 1.323 4.664 1.633 1.00 0.00 C ATOM 0 H TRP A 59 -1.845 0.826 -3.901 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.505 3.514 -3.598 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.929 1.878 -1.867 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.227 1.479 -1.739 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.739 4.229 -0.749 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.704 5.720 1.095 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.993 2.298 -0.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.194 5.997 2.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.663 3.229 0.759 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.075 5.053 2.304 1.00 0.00 H new ATOM 892 N ILE A 60 0.732 2.898 -3.461 1.00 0.00 N ATOM 893 CA ILE A 60 2.047 3.525 -3.514 1.00 0.00 C ATOM 894 C ILE A 60 2.141 4.508 -4.676 1.00 0.00 C ATOM 895 O ILE A 60 2.351 5.703 -4.476 1.00 0.00 O ATOM 896 CB ILE A 60 3.165 2.475 -3.652 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.147 1.518 -2.458 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.520 3.158 -3.769 1.00 0.00 C ATOM 899 CD1 ILE A 60 4.125 0.372 -2.587 1.00 0.00 C ATOM 0 H ILE A 60 0.749 1.879 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 60 2.179 4.063 -2.575 1.00 0.00 H new ATOM 0 HB ILE A 60 2.990 1.897 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.374 2.078 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.141 1.115 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.301 2.403 -3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.528 3.803 -4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.704 3.757 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.057 -0.265 -1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.886 -0.212 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.138 0.766 -2.673 1.00 0.00 H new ATOM 911 N GLY A 61 1.982 3.995 -5.892 1.00 0.00 N ATOM 912 CA GLY A 61 2.051 4.841 -7.069 1.00 0.00 C ATOM 913 C GLY A 61 1.000 5.933 -7.060 1.00 0.00 C ATOM 914 O GLY A 61 1.308 7.103 -7.282 1.00 0.00 O ATOM 0 H GLY A 61 1.807 3.009 -6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.041 5.294 -7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.926 4.228 -7.961 1.00 0.00 H new ATOM 918 N ASN A 62 -0.247 5.550 -6.805 1.00 0.00 N ATOM 919 CA ASN A 62 -1.349 6.505 -6.771 1.00 0.00 C ATOM 920 C ASN A 62 -1.009 7.695 -5.878 1.00 0.00 C ATOM 921 O ASN A 62 -1.178 8.848 -6.274 1.00 0.00 O ATOM 922 CB ASN A 62 -2.625 5.825 -6.270 1.00 0.00 C ATOM 923 CG ASN A 62 -3.880 6.524 -6.756 1.00 0.00 C ATOM 924 OD1 ASN A 62 -3.945 7.753 -6.795 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.886 5.741 -7.128 1.00 0.00 N ATOM 0 H ASN A 62 -0.520 4.585 -6.619 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.514 6.869 -7.785 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.637 4.788 -6.605 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.621 5.808 -5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.757 6.154 -7.463 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.788 4.727 -7.079 1.00 0.00 H new ATOM 932 N ARG A 63 -0.530 7.406 -4.673 1.00 0.00 N ATOM 933 CA ARG A 63 -0.167 8.452 -3.725 1.00 0.00 C ATOM 934 C ARG A 63 0.984 9.298 -4.262 1.00 0.00 C ATOM 935 O ARG A 63 0.954 10.526 -4.182 1.00 0.00 O ATOM 936 CB ARG A 63 0.224 7.837 -2.379 1.00 0.00 C ATOM 937 CG ARG A 63 0.710 8.856 -1.362 1.00 0.00 C ATOM 938 CD ARG A 63 0.395 8.418 0.060 1.00 0.00 C ATOM 939 NE ARG A 63 -1.038 8.227 0.269 1.00 0.00 N ATOM 940 CZ ARG A 63 -1.609 8.211 1.468 1.00 0.00 C ATOM 941 NH1 ARG A 63 -0.874 8.373 2.559 1.00 0.00 N ATOM 942 NH2 ARG A 63 -2.920 8.032 1.577 1.00 0.00 N ATOM 0 H ARG A 63 -0.384 6.456 -4.330 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.035 9.097 -3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.635 7.307 -1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.007 7.096 -2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.785 8.996 -1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.242 9.820 -1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.920 7.488 0.278 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.767 9.166 0.760 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.632 8.099 -0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.134 8.511 2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.316 8.360 3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.489 7.907 0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.358 8.020 2.498 1.00 0.00 H new ATOM 956 N ARG A 64 1.996 8.633 -4.809 1.00 0.00 N ATOM 957 CA ARG A 64 3.157 9.324 -5.357 1.00 0.00 C ATOM 958 C ARG A 64 2.741 10.291 -6.462 1.00 0.00 C ATOM 959 O ARG A 64 3.192 11.435 -6.501 1.00 0.00 O ATOM 960 CB ARG A 64 4.167 8.313 -5.903 1.00 0.00 C ATOM 961 CG ARG A 64 4.932 7.572 -4.818 1.00 0.00 C ATOM 962 CD ARG A 64 5.847 6.510 -5.409 1.00 0.00 C ATOM 963 NE ARG A 64 6.993 7.096 -6.098 1.00 0.00 N ATOM 964 CZ ARG A 64 7.714 6.449 -7.007 1.00 0.00 C ATOM 965 NH1 ARG A 64 7.409 5.201 -7.335 1.00 0.00 N ATOM 966 NH2 ARG A 64 8.743 7.051 -7.591 1.00 0.00 N ATOM 0 H ARG A 64 2.036 7.617 -4.885 1.00 0.00 H new ATOM 0 HA ARG A 64 3.623 9.895 -4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.643 7.588 -6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.877 8.832 -6.547 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.523 8.281 -4.238 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.228 7.105 -4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.199 5.852 -4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.282 5.892 -6.107 1.00 0.00 H new ATOM 0 HE ARG A 64 7.254 8.055 -5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.619 4.735 -6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.965 4.707 -8.033 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.981 8.011 -7.342 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.296 6.553 -8.289 1.00 0.00 H new ATOM 980 N ARG A 65 1.880 9.821 -7.359 1.00 0.00 N ATOM 981 CA ARG A 65 1.406 10.644 -8.466 1.00 0.00 C ATOM 982 C ARG A 65 0.484 11.751 -7.964 1.00 0.00 C ATOM 983 O ARG A 65 0.587 12.901 -8.392 1.00 0.00 O ATOM 984 CB ARG A 65 0.671 9.780 -9.493 1.00 0.00 C ATOM 985 CG ARG A 65 1.577 9.219 -10.577 1.00 0.00 C ATOM 986 CD ARG A 65 0.798 8.899 -11.843 1.00 0.00 C ATOM 987 NE ARG A 65 1.422 7.826 -12.612 1.00 0.00 N ATOM 988 CZ ARG A 65 0.768 7.078 -13.494 1.00 0.00 C ATOM 989 NH1 ARG A 65 -0.523 7.285 -13.717 1.00 0.00 N ATOM 990 NH2 ARG A 65 1.405 6.120 -14.156 1.00 0.00 N ATOM 0 H ARG A 65 1.497 8.876 -7.341 1.00 0.00 H new ATOM 0 HA ARG A 65 2.272 11.104 -8.941 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.182 8.954 -8.977 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.115 10.374 -9.960 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.363 9.939 -10.804 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.067 8.316 -10.212 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.220 8.612 -11.580 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.727 9.794 -12.461 1.00 0.00 H new ATOM 0 HE ARG A 65 2.414 7.641 -12.464 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.017 8.020 -13.211 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.022 6.709 -14.395 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.398 5.957 -13.988 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.902 5.546 -14.833 1.00 0.00 H new ATOM 1004 N LYS A 66 -0.417 11.397 -7.054 1.00 0.00 N ATOM 1005 CA LYS A 66 -1.357 12.360 -6.493 1.00 0.00 C ATOM 1006 C LYS A 66 -0.623 13.571 -5.927 1.00 0.00 C ATOM 1007 O LYS A 66 -1.153 14.682 -5.920 1.00 0.00 O ATOM 1008 CB LYS A 66 -2.198 11.702 -5.396 1.00 0.00 C ATOM 1009 CG LYS A 66 -3.445 12.489 -5.031 1.00 0.00 C ATOM 1010 CD LYS A 66 -3.170 13.482 -3.913 1.00 0.00 C ATOM 1011 CE LYS A 66 -4.458 13.958 -3.261 1.00 0.00 C ATOM 1012 NZ LYS A 66 -4.876 13.068 -2.142 1.00 0.00 N ATOM 0 H LYS A 66 -0.516 10.450 -6.689 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.014 12.698 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.491 10.705 -5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.583 11.577 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.811 13.021 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.233 11.802 -4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.531 13.018 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.625 14.338 -4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.322 14.973 -2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.250 13.998 -4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.758 13.427 -1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.031 12.105 -2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.131 13.050 -1.416 1.00 0.00 H new ATOM 1026 N TYR A 67 0.599 13.350 -5.457 1.00 0.00 N ATOM 1027 CA TYR A 67 1.405 14.423 -4.888 1.00 0.00 C ATOM 1028 C TYR A 67 2.247 15.100 -5.966 1.00 0.00 C ATOM 1029 O TYR A 67 2.253 16.326 -6.086 1.00 0.00 O ATOM 1030 CB TYR A 67 2.313 13.879 -3.784 1.00 0.00 C ATOM 1031 CG TYR A 67 1.681 13.912 -2.410 1.00 0.00 C ATOM 1032 CD1 TYR A 67 1.223 15.104 -1.864 1.00 0.00 C ATOM 1033 CD2 TYR A 67 1.543 12.751 -1.659 1.00 0.00 C ATOM 1034 CE1 TYR A 67 0.646 15.140 -0.609 1.00 0.00 C ATOM 1035 CE2 TYR A 67 0.966 12.777 -0.405 1.00 0.00 C ATOM 1036 CZ TYR A 67 0.519 13.973 0.116 1.00 0.00 C ATOM 1037 OH TYR A 67 -0.055 14.003 1.367 1.00 0.00 O ATOM 0 H TYR A 67 1.053 12.437 -5.459 1.00 0.00 H new ATOM 0 HA TYR A 67 0.729 15.163 -4.460 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.588 12.852 -4.024 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.235 14.459 -3.765 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.319 16.019 -2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.893 11.813 -2.063 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.297 16.076 -0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.865 11.865 0.165 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.070 13.098 1.742 1.00 0.00 H new ATOM 1047 N ARG A 68 2.957 14.293 -6.747 1.00 0.00 N ATOM 1048 CA ARG A 68 3.804 14.813 -7.814 1.00 0.00 C ATOM 1049 C ARG A 68 3.006 15.716 -8.750 1.00 0.00 C ATOM 1050 O ARG A 68 3.466 16.793 -9.133 1.00 0.00 O ATOM 1051 CB ARG A 68 4.426 13.662 -8.607 1.00 0.00 C ATOM 1052 CG ARG A 68 5.557 14.096 -9.525 1.00 0.00 C ATOM 1053 CD ARG A 68 6.191 12.906 -10.228 1.00 0.00 C ATOM 1054 NE ARG A 68 7.222 13.318 -11.177 1.00 0.00 N ATOM 1055 CZ ARG A 68 6.959 13.901 -12.341 1.00 0.00 C ATOM 1056 NH1 ARG A 68 5.704 14.140 -12.698 1.00 0.00 N ATOM 1057 NH2 ARG A 68 7.951 14.246 -13.152 1.00 0.00 N ATOM 0 H ARG A 68 2.963 13.277 -6.661 1.00 0.00 H new ATOM 0 HA ARG A 68 4.599 15.403 -7.358 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.802 12.913 -7.910 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.650 13.181 -9.203 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.176 14.798 -10.267 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.315 14.624 -8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.627 12.237 -9.486 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.420 12.342 -10.752 1.00 0.00 H new ATOM 0 HE ARG A 68 8.198 13.149 -10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.938 13.876 -12.078 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.505 14.588 -13.592 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.918 14.064 -12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.747 14.694 -14.046 1.00 0.00 H new ATOM 1071 N LEU A 69 1.808 15.272 -9.114 1.00 0.00 N ATOM 1072 CA LEU A 69 0.945 16.039 -10.006 1.00 0.00 C ATOM 1073 C LEU A 69 0.963 17.520 -9.639 1.00 0.00 C ATOM 1074 O LEU A 69 1.223 18.376 -10.484 1.00 0.00 O ATOM 1075 CB LEU A 69 -0.486 15.505 -9.947 1.00 0.00 C ATOM 1076 CG LEU A 69 -0.734 14.171 -10.653 1.00 0.00 C ATOM 1077 CD1 LEU A 69 -1.998 13.513 -10.122 1.00 0.00 C ATOM 1078 CD2 LEU A 69 -0.829 14.374 -12.159 1.00 0.00 C ATOM 0 H LEU A 69 1.412 14.384 -8.805 1.00 0.00 H new ATOM 0 HA LEU A 69 1.325 15.930 -11.022 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.770 15.397 -8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.150 16.252 -10.382 1.00 0.00 H new ATOM 0 HG LEU A 69 0.109 13.511 -10.447 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.158 12.565 -10.636 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.892 13.332 -9.052 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.851 14.169 -10.297 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.006 13.414 -12.645 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.653 15.052 -12.384 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.103 14.802 -12.528 1.00 0.00 H new ATOM 1090 N MET A 70 0.686 17.814 -8.373 1.00 0.00 N ATOM 1091 CA MET A 70 0.674 19.191 -7.893 1.00 0.00 C ATOM 1092 C MET A 70 2.077 19.789 -7.922 1.00 0.00 C ATOM 1093 O MET A 70 2.241 21.006 -7.993 1.00 0.00 O ATOM 1094 CB MET A 70 0.109 19.254 -6.473 1.00 0.00 C ATOM 1095 CG MET A 70 -0.285 20.656 -6.037 1.00 0.00 C ATOM 1096 SD MET A 70 -0.760 20.736 -4.300 1.00 0.00 S ATOM 1097 CE MET A 70 0.789 20.315 -3.505 1.00 0.00 C ATOM 0 H MET A 70 0.467 17.117 -7.661 1.00 0.00 H new ATOM 0 HA MET A 70 0.036 19.775 -8.556 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.763 18.604 -6.409 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.851 18.861 -5.778 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.549 21.335 -6.213 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.114 21.004 -6.653 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.800 20.719 -2.493 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.894 19.231 -3.464 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.617 20.739 -4.074 1.00 0.00 H new ATOM 1107 N GLY A 71 3.085 18.925 -7.866 1.00 0.00 N ATOM 1108 CA GLY A 71 4.461 19.387 -7.886 1.00 0.00 C ATOM 1109 C GLY A 71 5.176 19.138 -6.573 1.00 0.00 C ATOM 1110 O GLY A 71 5.768 20.052 -5.998 1.00 0.00 O ATOM 0 H GLY A 71 2.974 17.913 -7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.998 18.884 -8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.480 20.454 -8.110 1.00 0.00 H new ATOM 1114 N ILE A 72 5.119 17.899 -6.096 1.00 0.00 N ATOM 1115 CA ILE A 72 5.766 17.534 -4.842 1.00 0.00 C ATOM 1116 C ILE A 72 6.871 16.509 -5.072 1.00 0.00 C ATOM 1117 O ILE A 72 6.773 15.666 -5.963 1.00 0.00 O ATOM 1118 CB ILE A 72 4.753 16.962 -3.832 1.00 0.00 C ATOM 1119 CG1 ILE A 72 3.566 17.914 -3.673 1.00 0.00 C ATOM 1120 CG2 ILE A 72 5.426 16.716 -2.489 1.00 0.00 C ATOM 1121 CD1 ILE A 72 3.904 19.180 -2.916 1.00 0.00 C ATOM 0 H ILE A 72 4.632 17.132 -6.559 1.00 0.00 H new ATOM 0 HA ILE A 72 6.199 18.447 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 72 4.382 16.009 -4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.189 18.180 -4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.761 17.394 -3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.698 16.312 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.242 16.004 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.821 17.655 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.016 19.807 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.252 18.924 -1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.688 19.722 -3.445 1.00 0.00 H new ATOM 1133 N GLU A 73 7.922 16.587 -4.261 1.00 0.00 N ATOM 1134 CA GLU A 73 9.045 15.665 -4.376 1.00 0.00 C ATOM 1135 C GLU A 73 9.085 14.706 -3.189 1.00 0.00 C ATOM 1136 O GLU A 73 9.712 14.989 -2.169 1.00 0.00 O ATOM 1137 CB GLU A 73 10.362 16.439 -4.464 1.00 0.00 C ATOM 1138 CG GLU A 73 10.436 17.381 -5.654 1.00 0.00 C ATOM 1139 CD GLU A 73 11.853 17.573 -6.159 1.00 0.00 C ATOM 1140 OE1 GLU A 73 12.542 16.559 -6.394 1.00 0.00 O ATOM 1141 OE2 GLU A 73 12.271 18.739 -6.320 1.00 0.00 O ATOM 0 H GLU A 73 8.019 17.279 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 73 8.912 15.083 -5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.498 17.013 -3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.188 15.730 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.817 16.990 -6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.020 18.349 -5.373 1.00 0.00 H new ATOM 1148 N VAL A 74 8.410 13.569 -3.332 1.00 0.00 N ATOM 1149 CA VAL A 74 8.369 12.567 -2.274 1.00 0.00 C ATOM 1150 C VAL A 74 9.763 12.292 -1.722 1.00 0.00 C ATOM 1151 O VAL A 74 9.944 12.135 -0.514 1.00 0.00 O ATOM 1152 CB VAL A 74 7.758 11.246 -2.776 1.00 0.00 C ATOM 1153 CG1 VAL A 74 6.314 11.455 -3.208 1.00 0.00 C ATOM 1154 CG2 VAL A 74 8.587 10.675 -3.916 1.00 0.00 C ATOM 0 H VAL A 74 7.885 13.320 -4.170 1.00 0.00 H new ATOM 0 HA VAL A 74 7.741 12.971 -1.480 1.00 0.00 H new ATOM 0 HB VAL A 74 7.766 10.528 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.899 10.510 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.729 11.815 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.278 12.189 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.141 9.741 -4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.613 11.388 -4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 74 9.602 10.485 -3.568 1.00 0.00 H new ATOM 1164 N SER A 75 10.746 12.237 -2.614 1.00 0.00 N ATOM 1165 CA SER A 75 12.125 11.977 -2.217 1.00 0.00 C ATOM 1166 C SER A 75 12.950 13.261 -2.248 1.00 0.00 C ATOM 1167 O SER A 75 13.666 13.574 -1.298 1.00 0.00 O ATOM 1168 CB SER A 75 12.755 10.931 -3.138 1.00 0.00 C ATOM 1169 OG SER A 75 14.150 10.824 -2.909 1.00 0.00 O ATOM 0 H SER A 75 10.614 12.369 -3.617 1.00 0.00 H new ATOM 0 HA SER A 75 12.117 11.594 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.281 9.964 -2.973 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.574 11.201 -4.178 1.00 0.00 H new ATOM 0 HG SER A 75 14.529 10.148 -3.509 1.00 0.00 H new ATOM 1175 N GLY A 76 12.842 13.999 -3.348 1.00 0.00 N ATOM 1176 CA GLY A 76 13.583 15.240 -3.483 1.00 0.00 C ATOM 1177 C GLY A 76 15.076 15.013 -3.609 1.00 0.00 C ATOM 1178 O GLY A 76 15.532 13.934 -3.986 1.00 0.00 O ATOM 0 H GLY A 76 12.255 13.760 -4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.225 15.779 -4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.387 15.873 -2.617 1.00 0.00 H new ATOM 1182 N PRO A 77 15.865 16.050 -3.288 1.00 0.00 N ATOM 1183 CA PRO A 77 17.328 15.983 -3.360 1.00 0.00 C ATOM 1184 C PRO A 77 17.920 15.074 -2.288 1.00 0.00 C ATOM 1185 O PRO A 77 18.885 14.352 -2.536 1.00 0.00 O ATOM 1186 CB PRO A 77 17.761 17.433 -3.130 1.00 0.00 C ATOM 1187 CG PRO A 77 16.645 18.043 -2.354 1.00 0.00 C ATOM 1188 CD PRO A 77 15.390 17.366 -2.831 1.00 0.00 C ATOM 0 HA PRO A 77 17.671 15.566 -4.307 1.00 0.00 H new ATOM 0 HB2 PRO A 77 18.700 17.483 -2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 77 17.918 17.954 -4.075 1.00 0.00 H new ATOM 0 HG2 PRO A 77 16.786 17.893 -1.284 1.00 0.00 H new ATOM 0 HG3 PRO A 77 16.596 19.119 -2.521 1.00 0.00 H new ATOM 0 HD2 PRO A 77 14.655 17.272 -2.031 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.914 17.924 -3.638 1.00 0.00 H new ATOM 1196 N SER A 78 17.335 15.115 -1.095 1.00 0.00 N ATOM 1197 CA SER A 78 17.808 14.298 0.017 1.00 0.00 C ATOM 1198 C SER A 78 17.532 12.820 -0.241 1.00 0.00 C ATOM 1199 O SER A 78 16.655 12.469 -1.030 1.00 0.00 O ATOM 1200 CB SER A 78 17.136 14.734 1.320 1.00 0.00 C ATOM 1201 OG SER A 78 15.725 14.741 1.189 1.00 0.00 O ATOM 0 H SER A 78 16.533 15.705 -0.874 1.00 0.00 H new ATOM 0 HA SER A 78 18.885 14.439 0.108 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.426 14.060 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.484 15.729 1.597 1.00 0.00 H new ATOM 0 HG SER A 78 15.319 15.021 2.036 1.00 0.00 H new ATOM 1207 N SER A 79 18.287 11.957 0.432 1.00 0.00 N ATOM 1208 CA SER A 79 18.128 10.516 0.274 1.00 0.00 C ATOM 1209 C SER A 79 17.888 9.846 1.623 1.00 0.00 C ATOM 1210 O SER A 79 17.980 10.483 2.671 1.00 0.00 O ATOM 1211 CB SER A 79 19.366 9.915 -0.394 1.00 0.00 C ATOM 1212 OG SER A 79 20.484 9.952 0.476 1.00 0.00 O ATOM 0 H SER A 79 19.015 12.231 1.092 1.00 0.00 H new ATOM 0 HA SER A 79 17.260 10.338 -0.361 1.00 0.00 H new ATOM 0 HB2 SER A 79 19.162 8.885 -0.685 1.00 0.00 H new ATOM 0 HB3 SER A 79 19.594 10.465 -1.307 1.00 0.00 H new ATOM 0 HG SER A 79 21.262 9.561 0.026 1.00 0.00 H new ATOM 1218 N GLY A 80 17.579 8.553 1.588 1.00 0.00 N ATOM 1219 CA GLY A 80 17.330 7.815 2.813 1.00 0.00 C ATOM 1220 C GLY A 80 16.372 6.659 2.609 1.00 0.00 C ATOM 1221 O GLY A 80 16.546 5.590 3.193 1.00 0.00 O ATOM 0 H GLY A 80 17.497 8.003 0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.274 7.436 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.923 8.491 3.565 1.00 0.00 H new TER 1225 GLY A 80