USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 610 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 21 LYS NZ :NH3+ 168:sc= 0.418 (180deg=0) USER MOD Set 1.2: A 24 GLN : amide:sc= 0.381 K(o=0.8,f=-3.4) USER MOD Single : A 1 MET CE :methyl -160:sc= 0 (180deg=-0.00508) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0282 K(o=-0.028,f=-4!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -80:sc= 1.02 USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= 1.32 (180deg=1.3) USER MOD Single : A 16 ASN : amide:sc=-0.000543 X(o=-0.00054,f=-0.00054) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.1) USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.03) USER MOD Single : A 39 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.065) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 86:sc= 1.12 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 147:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.859 9.225 -2.089 1.00 0.00 N ATOM 2 CA MET A 1 10.625 7.806 -1.782 1.00 0.00 C ATOM 3 C MET A 1 11.565 7.380 -0.670 1.00 0.00 C ATOM 4 O MET A 1 12.764 7.275 -0.915 1.00 0.00 O ATOM 5 CB MET A 1 10.824 6.920 -3.023 1.00 0.00 C ATOM 6 CG MET A 1 9.550 6.169 -3.400 1.00 0.00 C ATOM 7 SD MET A 1 8.113 7.174 -3.846 1.00 0.00 S ATOM 8 CE MET A 1 6.983 5.828 -4.304 1.00 0.00 C ATOM 0 H1 MET A 1 10.218 9.526 -2.851 1.00 0.00 H new ATOM 0 H2 MET A 1 10.680 9.798 -1.240 1.00 0.00 H new ATOM 0 H3 MET A 1 11.845 9.356 -2.394 1.00 0.00 H new ATOM 0 HA MET A 1 9.591 7.683 -1.460 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.142 7.538 -3.862 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.624 6.204 -2.833 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.779 5.512 -4.239 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.271 5.531 -2.562 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.184 6.222 -4.933 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.532 5.062 -4.852 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.553 5.391 -3.403 1.00 0.00 H new ATOM 18 N LYS A 2 11.062 7.118 0.541 1.00 0.00 N ATOM 19 CA LYS A 2 11.820 6.347 1.526 1.00 0.00 C ATOM 20 C LYS A 2 10.868 5.695 2.525 1.00 0.00 C ATOM 21 O LYS A 2 9.646 5.868 2.419 1.00 0.00 O ATOM 22 CB LYS A 2 12.909 7.210 2.193 1.00 0.00 C ATOM 23 CG LYS A 2 14.212 6.407 2.330 1.00 0.00 C ATOM 24 CD LYS A 2 15.369 7.327 2.723 1.00 0.00 C ATOM 25 CE LYS A 2 16.608 6.497 3.058 1.00 0.00 C ATOM 26 NZ LYS A 2 17.803 7.344 3.248 1.00 0.00 N ATOM 0 H LYS A 2 10.143 7.426 0.858 1.00 0.00 H new ATOM 0 HA LYS A 2 12.352 5.541 1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.087 8.107 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.571 7.539 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.088 5.627 3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.440 5.909 1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.591 8.014 1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.085 7.935 3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.424 5.920 3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.794 5.782 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.622 6.744 3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.994 7.876 2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.636 8.010 4.029 1.00 0.00 H new ATOM 40 N ALA A 3 11.394 4.851 3.413 1.00 0.00 N ATOM 41 CA ALA A 3 10.683 4.256 4.528 1.00 0.00 C ATOM 42 C ALA A 3 11.392 4.626 5.822 1.00 0.00 C ATOM 43 O ALA A 3 10.990 5.541 6.521 1.00 0.00 O ATOM 44 CB ALA A 3 10.539 2.739 4.331 1.00 0.00 C ATOM 0 H ALA A 3 12.369 4.555 3.367 1.00 0.00 H new ATOM 0 HA ALA A 3 9.668 4.649 4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.003 2.311 5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.984 2.542 3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.528 2.286 4.261 1.00 0.00 H new ATOM 50 N SER A 4 12.398 3.816 6.171 1.00 0.00 N ATOM 51 CA SER A 4 12.823 3.456 7.519 1.00 0.00 C ATOM 52 C SER A 4 11.675 2.820 8.293 1.00 0.00 C ATOM 53 O SER A 4 11.744 1.650 8.655 1.00 0.00 O ATOM 54 CB SER A 4 13.446 4.634 8.260 1.00 0.00 C ATOM 55 OG SER A 4 14.578 5.110 7.566 1.00 0.00 O ATOM 0 H SER A 4 12.976 3.364 5.462 1.00 0.00 H new ATOM 0 HA SER A 4 13.612 2.709 7.432 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.713 5.434 8.365 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.731 4.329 9.267 1.00 0.00 H new ATOM 0 HG SER A 4 14.966 5.867 8.053 1.00 0.00 H new ATOM 61 N GLU A 5 10.605 3.577 8.455 1.00 0.00 N ATOM 62 CA GLU A 5 9.416 3.265 9.239 1.00 0.00 C ATOM 63 C GLU A 5 8.739 2.006 8.671 1.00 0.00 C ATOM 64 O GLU A 5 8.599 0.998 9.347 1.00 0.00 O ATOM 65 CB GLU A 5 8.544 4.539 9.300 1.00 0.00 C ATOM 66 CG GLU A 5 7.924 4.959 7.959 1.00 0.00 C ATOM 67 CD GLU A 5 7.610 6.455 7.849 1.00 0.00 C ATOM 68 OE1 GLU A 5 8.540 7.290 7.818 1.00 0.00 O ATOM 69 OE2 GLU A 5 6.432 6.802 7.582 1.00 0.00 O ATOM 0 H GLU A 5 10.536 4.493 8.011 1.00 0.00 H new ATOM 0 HA GLU A 5 9.641 3.003 10.273 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.742 4.380 10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.152 5.361 9.677 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.606 4.683 7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.004 4.395 7.805 1.00 0.00 H new ATOM 76 N LEU A 6 8.448 1.977 7.370 1.00 0.00 N ATOM 77 CA LEU A 6 7.766 0.839 6.740 1.00 0.00 C ATOM 78 C LEU A 6 8.655 -0.382 6.549 1.00 0.00 C ATOM 79 O LEU A 6 8.135 -1.450 6.251 1.00 0.00 O ATOM 80 CB LEU A 6 7.224 1.256 5.365 1.00 0.00 C ATOM 81 CG LEU A 6 5.806 1.843 5.397 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.537 2.484 4.031 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.733 0.790 5.691 1.00 0.00 C ATOM 0 H LEU A 6 8.675 2.734 6.725 1.00 0.00 H new ATOM 0 HA LEU A 6 6.964 0.557 7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.900 1.992 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.230 0.388 4.706 1.00 0.00 H new ATOM 0 HG LEU A 6 5.752 2.573 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.534 2.912 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.269 3.271 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.616 1.726 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.751 1.264 5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.757 0.021 4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.926 0.335 6.662 1.00 0.00 H new ATOM 95 N ARG A 7 9.980 -0.255 6.657 1.00 0.00 N ATOM 96 CA ARG A 7 10.862 -1.400 6.690 1.00 0.00 C ATOM 97 C ARG A 7 11.146 -1.873 8.118 1.00 0.00 C ATOM 98 O ARG A 7 11.834 -2.873 8.287 1.00 0.00 O ATOM 99 CB ARG A 7 12.105 -1.084 5.857 1.00 0.00 C ATOM 100 CG ARG A 7 13.182 -0.099 6.342 1.00 0.00 C ATOM 101 CD ARG A 7 14.028 -0.660 7.497 1.00 0.00 C ATOM 102 NE ARG A 7 15.042 0.273 8.013 1.00 0.00 N ATOM 103 CZ ARG A 7 15.164 0.607 9.307 1.00 0.00 C ATOM 104 NH1 ARG A 7 14.121 0.568 10.131 1.00 0.00 N ATOM 105 NH2 ARG A 7 16.340 0.992 9.785 1.00 0.00 N ATOM 0 H ARG A 7 10.459 0.643 6.723 1.00 0.00 H new ATOM 0 HA ARG A 7 10.377 -2.262 6.233 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.608 -2.033 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.753 -0.715 4.894 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.837 0.155 5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.703 0.826 6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.364 -0.945 8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.526 -1.569 7.159 1.00 0.00 H new ATOM 0 HE ARG A 7 15.691 0.691 7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.206 0.280 9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.236 0.826 11.111 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.152 1.034 9.169 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.432 1.246 10.769 1.00 0.00 H new ATOM 119 N ASN A 8 10.701 -1.111 9.115 1.00 0.00 N ATOM 120 CA ASN A 8 10.965 -1.307 10.544 1.00 0.00 C ATOM 121 C ASN A 8 10.158 -2.453 11.145 1.00 0.00 C ATOM 122 O ASN A 8 10.382 -2.788 12.305 1.00 0.00 O ATOM 123 CB ASN A 8 10.596 -0.036 11.340 1.00 0.00 C ATOM 124 CG ASN A 8 11.346 0.066 12.657 1.00 0.00 C ATOM 125 OD1 ASN A 8 12.548 0.318 12.638 1.00 0.00 O ATOM 126 ND2 ASN A 8 10.684 -0.026 13.798 1.00 0.00 N ATOM 0 H ASN A 8 10.114 -0.295 8.941 1.00 0.00 H new ATOM 0 HA ASN A 8 12.028 -1.537 10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.812 0.844 10.734 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.524 -0.033 11.535 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.171 0.113 14.683 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.686 -0.236 13.793 1.00 0.00 H new ATOM 133 N TYR A 9 9.174 -2.988 10.421 1.00 0.00 N ATOM 134 CA TYR A 9 8.275 -3.989 10.934 1.00 0.00 C ATOM 135 C TYR A 9 8.973 -5.356 10.853 1.00 0.00 C ATOM 136 O TYR A 9 10.037 -5.477 10.230 1.00 0.00 O ATOM 137 CB TYR A 9 6.951 -3.780 10.174 1.00 0.00 C ATOM 138 CG TYR A 9 6.186 -2.596 10.703 1.00 0.00 C ATOM 139 CD1 TYR A 9 5.523 -2.681 11.936 1.00 0.00 C ATOM 140 CD2 TYR A 9 6.229 -1.379 9.997 1.00 0.00 C ATOM 141 CE1 TYR A 9 4.907 -1.542 12.473 1.00 0.00 C ATOM 142 CE2 TYR A 9 5.622 -0.232 10.530 1.00 0.00 C ATOM 143 CZ TYR A 9 4.972 -0.314 11.780 1.00 0.00 C ATOM 144 OH TYR A 9 4.476 0.815 12.346 1.00 0.00 O ATOM 0 H TYR A 9 8.988 -2.727 9.453 1.00 0.00 H new ATOM 0 HA TYR A 9 8.018 -3.920 11.991 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.159 -3.635 9.114 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.337 -4.677 10.258 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.487 -3.620 12.469 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.731 -1.328 9.042 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.383 -1.604 13.416 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.652 0.703 9.990 1.00 0.00 H new ATOM 0 HH TYR A 9 4.603 1.570 11.735 1.00 0.00 H new ATOM 154 N THR A 10 8.451 -6.373 11.531 1.00 0.00 N ATOM 155 CA THR A 10 8.866 -7.755 11.305 1.00 0.00 C ATOM 156 C THR A 10 8.337 -8.203 9.943 1.00 0.00 C ATOM 157 O THR A 10 7.332 -7.687 9.497 1.00 0.00 O ATOM 158 CB THR A 10 8.290 -8.659 12.403 1.00 0.00 C ATOM 159 OG1 THR A 10 6.891 -8.542 12.482 1.00 0.00 O ATOM 160 CG2 THR A 10 8.856 -8.328 13.782 1.00 0.00 C ATOM 0 H THR A 10 7.733 -6.265 12.248 1.00 0.00 H new ATOM 0 HA THR A 10 9.954 -7.824 11.328 1.00 0.00 H new ATOM 0 HB THR A 10 8.574 -9.674 12.125 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.658 -7.730 12.979 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.418 -8.995 14.525 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.938 -8.457 13.772 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.617 -7.295 14.035 1.00 0.00 H new ATOM 168 N ASP A 11 8.966 -9.152 9.253 1.00 0.00 N ATOM 169 CA ASP A 11 8.536 -9.807 8.021 1.00 0.00 C ATOM 170 C ASP A 11 7.072 -10.190 8.025 1.00 0.00 C ATOM 171 O ASP A 11 6.484 -10.253 6.947 1.00 0.00 O ATOM 172 CB ASP A 11 9.371 -11.071 7.781 1.00 0.00 C ATOM 173 CG ASP A 11 10.593 -10.807 6.908 1.00 0.00 C ATOM 174 OD1 ASP A 11 10.415 -10.415 5.737 1.00 0.00 O ATOM 175 OD2 ASP A 11 11.723 -11.016 7.421 1.00 0.00 O ATOM 0 H ASP A 11 9.866 -9.513 9.569 1.00 0.00 H new ATOM 0 HA ASP A 11 8.685 -9.080 7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.694 -11.476 8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.748 -11.830 7.308 1.00 0.00 H new ATOM 180 N GLU A 12 6.508 -10.480 9.196 1.00 0.00 N ATOM 181 CA GLU A 12 5.099 -10.776 9.332 1.00 0.00 C ATOM 182 C GLU A 12 4.263 -9.494 9.323 1.00 0.00 C ATOM 183 O GLU A 12 3.348 -9.357 8.516 1.00 0.00 O ATOM 184 CB GLU A 12 4.865 -11.611 10.593 1.00 0.00 C ATOM 185 CG GLU A 12 3.470 -12.237 10.564 1.00 0.00 C ATOM 186 CD GLU A 12 3.213 -13.130 11.776 1.00 0.00 C ATOM 187 OE1 GLU A 12 4.064 -14.022 12.028 1.00 0.00 O ATOM 188 OE2 GLU A 12 2.179 -12.949 12.461 1.00 0.00 O ATOM 0 H GLU A 12 7.024 -10.514 10.075 1.00 0.00 H new ATOM 0 HA GLU A 12 4.773 -11.364 8.474 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.621 -12.393 10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.971 -10.983 11.478 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.720 -11.447 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.356 -12.823 9.652 1.00 0.00 H new ATOM 195 N GLU A 13 4.608 -8.525 10.166 1.00 0.00 N ATOM 196 CA GLU A 13 3.975 -7.212 10.171 1.00 0.00 C ATOM 197 C GLU A 13 4.126 -6.516 8.821 1.00 0.00 C ATOM 198 O GLU A 13 3.212 -5.829 8.390 1.00 0.00 O ATOM 199 CB GLU A 13 4.659 -6.357 11.230 1.00 0.00 C ATOM 200 CG GLU A 13 4.276 -6.752 12.651 1.00 0.00 C ATOM 201 CD GLU A 13 5.171 -6.007 13.636 1.00 0.00 C ATOM 202 OE1 GLU A 13 6.410 -6.108 13.496 1.00 0.00 O ATOM 203 OE2 GLU A 13 4.647 -5.323 14.544 1.00 0.00 O ATOM 0 H GLU A 13 5.339 -8.631 10.869 1.00 0.00 H new ATOM 0 HA GLU A 13 2.913 -7.338 10.379 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.740 -6.440 11.114 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.401 -5.311 11.067 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.229 -6.512 12.839 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.385 -7.828 12.784 1.00 0.00 H new ATOM 210 N LEU A 14 5.266 -6.704 8.151 1.00 0.00 N ATOM 211 CA LEU A 14 5.628 -6.144 6.865 1.00 0.00 C ATOM 212 C LEU A 14 4.501 -6.546 5.936 1.00 0.00 C ATOM 213 O LEU A 14 3.698 -5.700 5.550 1.00 0.00 O ATOM 214 CB LEU A 14 7.020 -6.670 6.369 1.00 0.00 C ATOM 215 CG LEU A 14 8.373 -5.910 6.554 1.00 0.00 C ATOM 216 CD1 LEU A 14 8.342 -4.477 7.061 1.00 0.00 C ATOM 217 CD2 LEU A 14 9.554 -6.586 7.238 1.00 0.00 C ATOM 0 H LEU A 14 6.007 -7.295 8.528 1.00 0.00 H new ATOM 0 HA LEU A 14 5.745 -5.061 6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.157 -7.646 6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.914 -6.840 5.298 1.00 0.00 H new ATOM 0 HG LEU A 14 8.552 -5.930 5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.360 -4.095 7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.770 -3.859 6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.873 -4.449 8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.399 -5.898 7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.275 -6.865 8.254 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.835 -7.479 6.680 1.00 0.00 H new ATOM 229 N LYS A 15 4.377 -7.834 5.611 1.00 0.00 N ATOM 230 CA LYS A 15 3.343 -8.320 4.732 1.00 0.00 C ATOM 231 C LYS A 15 1.995 -7.892 5.244 1.00 0.00 C ATOM 232 O LYS A 15 1.261 -7.380 4.420 1.00 0.00 O ATOM 233 CB LYS A 15 3.422 -9.828 4.489 1.00 0.00 C ATOM 234 CG LYS A 15 3.485 -10.774 5.704 1.00 0.00 C ATOM 235 CD LYS A 15 2.149 -11.263 6.283 1.00 0.00 C ATOM 236 CE LYS A 15 1.510 -12.323 5.385 1.00 0.00 C ATOM 237 NZ LYS A 15 0.071 -12.458 5.668 1.00 0.00 N ATOM 0 H LYS A 15 5.000 -8.563 5.958 1.00 0.00 H new ATOM 0 HA LYS A 15 3.501 -7.869 3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.554 -10.112 3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.304 -10.018 3.877 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.071 -11.649 5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.032 -10.267 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.311 -11.676 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.468 -10.419 6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.655 -12.053 4.339 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.006 -13.281 5.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.335 -13.195 5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.064 -12.721 6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.406 -11.553 5.482 1.00 0.00 H new ATOM 251 N ASN A 16 1.709 -7.984 6.540 1.00 0.00 N ATOM 252 CA ASN A 16 0.389 -7.678 7.075 1.00 0.00 C ATOM 253 C ASN A 16 0.005 -6.206 6.898 1.00 0.00 C ATOM 254 O ASN A 16 -1.171 -5.856 6.977 1.00 0.00 O ATOM 255 CB ASN A 16 0.317 -8.084 8.545 1.00 0.00 C ATOM 256 CG ASN A 16 -1.135 -8.131 9.010 1.00 0.00 C ATOM 257 OD1 ASN A 16 -1.661 -7.169 9.565 1.00 0.00 O ATOM 258 ND2 ASN A 16 -1.839 -9.226 8.767 1.00 0.00 N ATOM 0 H ASN A 16 2.386 -8.272 7.246 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.336 -8.256 6.503 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.782 -9.060 8.683 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.878 -7.375 9.153 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.821 -9.272 9.041 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.400 -10.023 8.306 1.00 0.00 H new ATOM 265 N LEU A 17 0.975 -5.345 6.595 1.00 0.00 N ATOM 266 CA LEU A 17 0.740 -3.916 6.397 1.00 0.00 C ATOM 267 C LEU A 17 0.605 -3.668 4.907 1.00 0.00 C ATOM 268 O LEU A 17 -0.262 -2.928 4.455 1.00 0.00 O ATOM 269 CB LEU A 17 1.891 -3.070 6.980 1.00 0.00 C ATOM 270 CG LEU A 17 1.584 -2.444 8.352 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.316 -3.446 9.478 1.00 0.00 C ATOM 272 CD2 LEU A 17 2.760 -1.546 8.758 1.00 0.00 C ATOM 0 H LEU A 17 1.950 -5.620 6.479 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.170 -3.620 6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.778 -3.697 7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.134 -2.274 6.276 1.00 0.00 H new ATOM 0 HG LEU A 17 0.657 -1.886 8.225 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.110 -2.907 10.403 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.456 -4.063 9.219 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.191 -4.082 9.615 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.555 -1.096 9.729 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.670 -2.143 8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.891 -0.760 8.014 1.00 0.00 H new ATOM 284 N LEU A 18 1.479 -4.274 4.107 1.00 0.00 N ATOM 285 CA LEU A 18 1.527 -3.961 2.686 1.00 0.00 C ATOM 286 C LEU A 18 0.417 -4.725 1.988 1.00 0.00 C ATOM 287 O LEU A 18 -0.137 -4.272 0.989 1.00 0.00 O ATOM 288 CB LEU A 18 2.904 -4.270 2.052 1.00 0.00 C ATOM 289 CG LEU A 18 4.183 -4.348 2.916 1.00 0.00 C ATOM 290 CD1 LEU A 18 5.473 -4.385 2.108 1.00 0.00 C ATOM 291 CD2 LEU A 18 4.381 -3.236 3.953 1.00 0.00 C ATOM 0 H LEU A 18 2.154 -4.974 4.415 1.00 0.00 H new ATOM 0 HA LEU A 18 1.380 -2.888 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.810 -5.225 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.081 -3.512 1.289 1.00 0.00 H new ATOM 0 HG LEU A 18 3.997 -5.289 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.325 -4.439 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.470 -5.260 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.549 -3.482 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.313 -3.404 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.423 -2.271 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.548 -3.242 4.656 1.00 0.00 H new ATOM 303 N GLU A 19 0.065 -5.877 2.517 1.00 0.00 N ATOM 304 CA GLU A 19 -1.137 -6.569 2.092 1.00 0.00 C ATOM 305 C GLU A 19 -2.390 -5.715 2.271 1.00 0.00 C ATOM 306 O GLU A 19 -3.284 -5.792 1.433 1.00 0.00 O ATOM 307 CB GLU A 19 -1.245 -7.936 2.756 1.00 0.00 C ATOM 308 CG GLU A 19 -1.808 -7.965 4.168 1.00 0.00 C ATOM 309 CD GLU A 19 -1.802 -9.424 4.644 1.00 0.00 C ATOM 310 OE1 GLU A 19 -0.720 -10.059 4.655 1.00 0.00 O ATOM 311 OE2 GLU A 19 -2.892 -9.997 4.866 1.00 0.00 O ATOM 0 H GLU A 19 0.595 -6.357 3.245 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.057 -6.745 1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.869 -8.572 2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.252 -8.384 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.207 -7.344 4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.821 -7.562 4.184 1.00 0.00 H new ATOM 318 N GLU A 20 -2.434 -4.869 3.304 1.00 0.00 N ATOM 319 CA GLU A 20 -3.559 -3.987 3.556 1.00 0.00 C ATOM 320 C GLU A 20 -3.662 -2.941 2.453 1.00 0.00 C ATOM 321 O GLU A 20 -4.667 -2.840 1.767 1.00 0.00 O ATOM 322 CB GLU A 20 -3.446 -3.385 4.958 1.00 0.00 C ATOM 323 CG GLU A 20 -4.645 -2.521 5.344 1.00 0.00 C ATOM 324 CD GLU A 20 -4.385 -1.938 6.728 1.00 0.00 C ATOM 325 OE1 GLU A 20 -3.547 -1.013 6.840 1.00 0.00 O ATOM 326 OE2 GLU A 20 -4.955 -2.455 7.713 1.00 0.00 O ATOM 0 H GLU A 20 -1.682 -4.782 3.988 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.492 -4.551 3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.339 -4.191 5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.540 -2.782 5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.789 -1.723 4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.558 -3.117 5.348 1.00 0.00 H new ATOM 333 N LYS A 21 -2.614 -2.176 2.198 1.00 0.00 N ATOM 334 CA LYS A 21 -2.596 -1.154 1.188 1.00 0.00 C ATOM 335 C LYS A 21 -2.877 -1.797 -0.179 1.00 0.00 C ATOM 336 O LYS A 21 -3.830 -1.388 -0.845 1.00 0.00 O ATOM 337 CB LYS A 21 -1.274 -0.394 1.402 1.00 0.00 C ATOM 338 CG LYS A 21 -1.094 0.108 2.854 1.00 0.00 C ATOM 339 CD LYS A 21 -2.231 0.940 3.462 1.00 0.00 C ATOM 340 CE LYS A 21 -2.312 2.372 2.925 1.00 0.00 C ATOM 341 NZ LYS A 21 -3.318 3.136 3.701 1.00 0.00 N ATOM 0 H LYS A 21 -1.733 -2.258 2.706 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.382 -0.400 1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.440 -1.046 1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.236 0.457 0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.934 -0.761 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.183 0.705 2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.179 0.437 3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.103 0.975 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.337 2.855 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.583 2.361 1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.232 4.148 3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.272 2.807 3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.157 2.989 4.718 1.00 0.00 H new ATOM 355 N LYS A 22 -2.142 -2.837 -0.613 1.00 0.00 N ATOM 356 CA LYS A 22 -2.430 -3.478 -1.905 1.00 0.00 C ATOM 357 C LYS A 22 -3.917 -3.899 -2.024 1.00 0.00 C ATOM 358 O LYS A 22 -4.480 -3.736 -3.112 1.00 0.00 O ATOM 359 CB LYS A 22 -1.432 -4.622 -2.223 1.00 0.00 C ATOM 360 CG LYS A 22 -1.854 -5.997 -1.685 1.00 0.00 C ATOM 361 CD LYS A 22 -0.749 -7.063 -1.672 1.00 0.00 C ATOM 362 CE LYS A 22 -1.340 -8.360 -1.088 1.00 0.00 C ATOM 363 NZ LYS A 22 -0.326 -9.401 -0.817 1.00 0.00 N ATOM 0 H LYS A 22 -1.360 -3.243 -0.099 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.273 -2.731 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.308 -4.690 -3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.458 -4.365 -1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.228 -5.872 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.685 -6.365 -2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.376 -7.236 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.097 -6.727 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.865 -8.126 -0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.080 -8.757 -1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.791 -10.245 -0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.159 -9.652 -1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.368 -9.040 -0.132 1.00 0.00 H new ATOM 377 N ARG A 23 -4.574 -4.414 -0.967 1.00 0.00 N ATOM 378 CA ARG A 23 -5.993 -4.799 -1.037 1.00 0.00 C ATOM 379 C ARG A 23 -6.929 -3.613 -1.002 1.00 0.00 C ATOM 380 O ARG A 23 -7.917 -3.637 -1.726 1.00 0.00 O ATOM 381 CB ARG A 23 -6.408 -5.764 0.081 1.00 0.00 C ATOM 382 CG ARG A 23 -6.484 -5.233 1.525 1.00 0.00 C ATOM 383 CD ARG A 23 -6.823 -6.352 2.520 1.00 0.00 C ATOM 384 NE ARG A 23 -8.141 -6.954 2.290 1.00 0.00 N ATOM 385 CZ ARG A 23 -8.468 -8.124 1.732 1.00 0.00 C ATOM 386 NH1 ARG A 23 -7.573 -8.914 1.135 1.00 0.00 N ATOM 387 NH2 ARG A 23 -9.725 -8.533 1.800 1.00 0.00 N ATOM 0 H ARG A 23 -4.143 -4.572 -0.056 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.082 -5.302 -2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.388 -6.165 -0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.709 -6.600 0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.531 -4.779 1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.239 -4.449 1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.061 -7.128 2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.786 -5.951 3.533 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.932 -6.392 2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.593 -8.633 1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.869 -9.799 0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.423 -7.958 2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.995 -9.423 1.381 1.00 0.00 H new ATOM 401 N GLN A 24 -6.635 -2.617 -0.173 1.00 0.00 N ATOM 402 CA GLN A 24 -7.417 -1.420 0.010 1.00 0.00 C ATOM 403 C GLN A 24 -7.671 -0.830 -1.352 1.00 0.00 C ATOM 404 O GLN A 24 -8.820 -0.611 -1.693 1.00 0.00 O ATOM 405 CB GLN A 24 -6.641 -0.394 0.834 1.00 0.00 C ATOM 406 CG GLN A 24 -6.862 -0.444 2.338 1.00 0.00 C ATOM 407 CD GLN A 24 -6.353 0.825 3.050 1.00 0.00 C ATOM 408 OE1 GLN A 24 -5.670 1.676 2.471 1.00 0.00 O ATOM 409 NE2 GLN A 24 -6.612 0.989 4.332 1.00 0.00 N ATOM 0 H GLN A 24 -5.801 -2.633 0.414 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.344 -1.665 0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.577 -0.529 0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.906 0.602 0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.925 -0.570 2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.353 -1.316 2.748 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.174 0.299 4.831 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.251 1.806 4.825 1.00 0.00 H new ATOM 418 N LEU A 25 -6.626 -0.601 -2.158 1.00 0.00 N ATOM 419 CA LEU A 25 -6.845 0.032 -3.452 1.00 0.00 C ATOM 420 C LEU A 25 -7.895 -0.742 -4.241 1.00 0.00 C ATOM 421 O LEU A 25 -8.858 -0.155 -4.725 1.00 0.00 O ATOM 422 CB LEU A 25 -5.534 0.084 -4.235 1.00 0.00 C ATOM 423 CG LEU A 25 -5.709 0.648 -5.658 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.962 2.151 -5.545 1.00 0.00 C ATOM 425 CD2 LEU A 25 -4.487 0.417 -6.553 1.00 0.00 C ATOM 0 H LEU A 25 -5.657 -0.837 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.203 1.049 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.816 0.698 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.113 -0.920 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.545 0.125 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.089 2.574 -6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.864 2.325 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.113 2.627 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.675 0.838 -7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.616 0.902 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.300 -0.653 -6.644 1.00 0.00 H new ATOM 437 N MET A 26 -7.704 -2.055 -4.339 1.00 0.00 N ATOM 438 CA MET A 26 -8.621 -2.980 -4.986 1.00 0.00 C ATOM 439 C MET A 26 -10.065 -2.941 -4.455 1.00 0.00 C ATOM 440 O MET A 26 -10.997 -3.230 -5.211 1.00 0.00 O ATOM 441 CB MET A 26 -8.036 -4.389 -4.827 1.00 0.00 C ATOM 442 CG MET A 26 -8.374 -5.264 -6.021 1.00 0.00 C ATOM 443 SD MET A 26 -8.176 -7.052 -5.796 1.00 0.00 S ATOM 444 CE MET A 26 -6.414 -7.220 -5.425 1.00 0.00 C ATOM 0 H MET A 26 -6.879 -2.516 -3.957 1.00 0.00 H new ATOM 0 HA MET A 26 -8.707 -2.679 -6.030 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.954 -4.325 -4.715 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.424 -4.846 -3.917 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.408 -5.068 -6.305 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.749 -4.954 -6.859 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.174 -8.272 -5.268 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.828 -6.835 -6.260 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.176 -6.655 -4.524 1.00 0.00 H new ATOM 454 N GLU A 27 -10.272 -2.588 -3.191 1.00 0.00 N ATOM 455 CA GLU A 27 -11.584 -2.556 -2.544 1.00 0.00 C ATOM 456 C GLU A 27 -12.206 -1.179 -2.711 1.00 0.00 C ATOM 457 O GLU A 27 -13.389 -1.040 -2.996 1.00 0.00 O ATOM 458 CB GLU A 27 -11.411 -2.931 -1.056 1.00 0.00 C ATOM 459 CG GLU A 27 -12.163 -2.032 -0.075 1.00 0.00 C ATOM 460 CD GLU A 27 -11.896 -2.408 1.371 1.00 0.00 C ATOM 461 OE1 GLU A 27 -10.820 -2.031 1.885 1.00 0.00 O ATOM 462 OE2 GLU A 27 -12.779 -3.033 1.999 1.00 0.00 O ATOM 0 H GLU A 27 -9.513 -2.308 -2.569 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.258 -3.277 -3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.745 -3.959 -0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.349 -2.904 -0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.870 -0.995 -0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.233 -2.096 -0.273 1.00 0.00 H new ATOM 469 N LEU A 28 -11.420 -0.128 -2.550 1.00 0.00 N ATOM 470 CA LEU A 28 -11.926 1.213 -2.639 1.00 0.00 C ATOM 471 C LEU A 28 -12.319 1.471 -4.095 1.00 0.00 C ATOM 472 O LEU A 28 -13.338 2.104 -4.375 1.00 0.00 O ATOM 473 CB LEU A 28 -10.852 2.142 -2.081 1.00 0.00 C ATOM 474 CG LEU A 28 -10.482 1.918 -0.599 1.00 0.00 C ATOM 475 CD1 LEU A 28 -9.388 2.909 -0.216 1.00 0.00 C ATOM 476 CD2 LEU A 28 -11.609 1.922 0.415 1.00 0.00 C ATOM 0 H LEU A 28 -10.421 -0.189 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.826 1.389 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.950 2.029 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.189 3.172 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.138 0.885 -0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.115 2.764 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.513 2.746 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.753 3.926 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.202 1.753 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.118 2.885 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.318 1.130 0.174 1.00 0.00 H new ATOM 488 N ARG A 29 -11.592 0.883 -5.054 1.00 0.00 N ATOM 489 CA ARG A 29 -11.998 0.945 -6.452 1.00 0.00 C ATOM 490 C ARG A 29 -13.313 0.211 -6.682 1.00 0.00 C ATOM 491 O ARG A 29 -14.043 0.579 -7.599 1.00 0.00 O ATOM 492 CB ARG A 29 -10.909 0.510 -7.431 1.00 0.00 C ATOM 493 CG ARG A 29 -10.582 -0.974 -7.446 1.00 0.00 C ATOM 494 CD ARG A 29 -9.760 -1.339 -8.687 1.00 0.00 C ATOM 495 NE ARG A 29 -10.621 -1.524 -9.875 1.00 0.00 N ATOM 496 CZ ARG A 29 -10.934 -0.649 -10.843 1.00 0.00 C ATOM 497 NH1 ARG A 29 -10.457 0.592 -10.851 1.00 0.00 N ATOM 498 NH2 ARG A 29 -11.754 -1.024 -11.815 1.00 0.00 N ATOM 0 H ARG A 29 -10.730 0.366 -4.884 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.165 2.000 -6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.212 0.805 -8.436 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.998 1.061 -7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.026 -1.237 -6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.505 -1.554 -7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.030 -0.554 -8.885 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.200 -2.254 -8.497 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.037 -2.450 -9.973 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.833 0.904 -10.106 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.715 1.233 -11.602 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.139 -1.968 -11.821 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.000 -0.368 -12.557 1.00 0.00 H new ATOM 512 N PHE A 30 -13.608 -0.803 -5.867 1.00 0.00 N ATOM 513 CA PHE A 30 -14.876 -1.508 -5.854 1.00 0.00 C ATOM 514 C PHE A 30 -15.984 -0.635 -5.239 1.00 0.00 C ATOM 515 O PHE A 30 -17.108 -0.710 -5.727 1.00 0.00 O ATOM 516 CB PHE A 30 -14.697 -2.876 -5.155 1.00 0.00 C ATOM 517 CG PHE A 30 -15.976 -3.561 -4.725 1.00 0.00 C ATOM 518 CD1 PHE A 30 -16.793 -4.218 -5.662 1.00 0.00 C ATOM 519 CD2 PHE A 30 -16.342 -3.547 -3.366 1.00 0.00 C ATOM 520 CE1 PHE A 30 -17.969 -4.862 -5.237 1.00 0.00 C ATOM 521 CE2 PHE A 30 -17.518 -4.190 -2.949 1.00 0.00 C ATOM 522 CZ PHE A 30 -18.338 -4.841 -3.883 1.00 0.00 C ATOM 0 H PHE A 30 -12.946 -1.162 -5.179 1.00 0.00 H new ATOM 0 HA PHE A 30 -15.202 -1.712 -6.874 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.158 -3.541 -5.830 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.068 -2.736 -4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.518 -4.228 -6.706 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.718 -3.041 -2.644 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.591 -5.375 -5.956 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.793 -4.184 -1.905 1.00 0.00 H new ATOM 0 HZ PHE A 30 -19.249 -5.324 -3.562 1.00 0.00 H new ATOM 532 N GLN A 31 -15.727 0.248 -4.260 1.00 0.00 N ATOM 533 CA GLN A 31 -16.750 1.107 -3.702 1.00 0.00 C ATOM 534 C GLN A 31 -17.070 2.142 -4.757 1.00 0.00 C ATOM 535 O GLN A 31 -18.230 2.406 -5.030 1.00 0.00 O ATOM 536 CB GLN A 31 -16.259 1.784 -2.414 1.00 0.00 C ATOM 537 CG GLN A 31 -16.080 0.783 -1.265 1.00 0.00 C ATOM 538 CD GLN A 31 -15.768 1.487 0.051 1.00 0.00 C ATOM 539 OE1 GLN A 31 -14.864 2.314 0.113 1.00 0.00 O ATOM 540 NE2 GLN A 31 -16.510 1.209 1.113 1.00 0.00 N ATOM 0 H GLN A 31 -14.805 0.376 -3.844 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.635 0.529 -3.436 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.311 2.285 -2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -16.971 2.553 -2.116 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.988 0.190 -1.154 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.274 0.090 -1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.258 0.519 1.046 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -16.333 1.685 1.998 1.00 0.00 H new ATOM 549 N LEU A 32 -16.041 2.693 -5.399 1.00 0.00 N ATOM 550 CA LEU A 32 -16.176 3.642 -6.488 1.00 0.00 C ATOM 551 C LEU A 32 -17.030 3.067 -7.595 1.00 0.00 C ATOM 552 O LEU A 32 -17.995 3.699 -8.001 1.00 0.00 O ATOM 553 CB LEU A 32 -14.778 4.010 -6.983 1.00 0.00 C ATOM 554 CG LEU A 32 -14.716 4.959 -8.191 1.00 0.00 C ATOM 555 CD1 LEU A 32 -15.237 4.474 -9.549 1.00 0.00 C ATOM 556 CD2 LEU A 32 -15.399 6.291 -7.849 1.00 0.00 C ATOM 0 H LEU A 32 -15.070 2.483 -5.166 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.680 4.544 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.232 4.468 -6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.253 3.091 -7.242 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.641 5.045 -8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.119 5.266 -10.288 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.672 3.597 -9.863 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.292 4.214 -9.462 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.350 6.957 -8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.442 6.109 -7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.890 6.754 -7.003 1.00 0.00 H new ATOM 568 N ALA A 33 -16.667 1.881 -8.069 1.00 0.00 N ATOM 569 CA ALA A 33 -17.369 1.173 -9.118 1.00 0.00 C ATOM 570 C ALA A 33 -18.850 1.028 -8.757 1.00 0.00 C ATOM 571 O ALA A 33 -19.717 1.251 -9.606 1.00 0.00 O ATOM 572 CB ALA A 33 -16.699 -0.182 -9.350 1.00 0.00 C ATOM 0 H ALA A 33 -15.852 1.376 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.318 1.738 -10.049 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.226 -0.718 -10.140 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.661 -0.029 -9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.732 -0.766 -8.431 1.00 0.00 H new ATOM 578 N MET A 34 -19.140 0.721 -7.488 1.00 0.00 N ATOM 579 CA MET A 34 -20.480 0.561 -6.975 1.00 0.00 C ATOM 580 C MET A 34 -21.200 1.909 -6.773 1.00 0.00 C ATOM 581 O MET A 34 -22.421 1.931 -6.586 1.00 0.00 O ATOM 582 CB MET A 34 -20.396 -0.227 -5.659 1.00 0.00 C ATOM 583 CG MET A 34 -19.988 -1.700 -5.829 1.00 0.00 C ATOM 584 SD MET A 34 -21.293 -2.924 -5.540 1.00 0.00 S ATOM 585 CE MET A 34 -22.380 -2.625 -6.956 1.00 0.00 C ATOM 0 H MET A 34 -18.420 0.576 -6.780 1.00 0.00 H new ATOM 0 HA MET A 34 -21.076 0.015 -7.706 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.679 0.263 -5.001 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.365 -0.186 -5.162 1.00 0.00 H new ATOM 0 HG2 MET A 34 -19.607 -1.836 -6.841 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.164 -1.909 -5.147 1.00 0.00 H new ATOM 0 HE1 MET A 34 -23.230 -3.306 -6.913 1.00 0.00 H new ATOM 0 HE2 MET A 34 -22.738 -1.596 -6.929 1.00 0.00 H new ATOM 0 HE3 MET A 34 -21.827 -2.792 -7.881 1.00 0.00 H new ATOM 595 N GLY A 35 -20.450 3.014 -6.818 1.00 0.00 N ATOM 596 CA GLY A 35 -20.855 4.411 -6.870 1.00 0.00 C ATOM 597 C GLY A 35 -20.531 5.213 -5.605 1.00 0.00 C ATOM 598 O GLY A 35 -20.954 6.361 -5.478 1.00 0.00 O ATOM 0 H GLY A 35 -19.433 2.936 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.368 4.886 -7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.929 4.459 -7.050 1.00 0.00 H new ATOM 602 N GLN A 36 -19.805 4.640 -4.644 1.00 0.00 N ATOM 603 CA GLN A 36 -19.946 5.006 -3.233 1.00 0.00 C ATOM 604 C GLN A 36 -18.782 5.888 -2.785 1.00 0.00 C ATOM 605 O GLN A 36 -18.892 6.695 -1.871 1.00 0.00 O ATOM 606 CB GLN A 36 -19.977 3.718 -2.393 1.00 0.00 C ATOM 607 CG GLN A 36 -20.854 2.601 -2.991 1.00 0.00 C ATOM 608 CD GLN A 36 -20.635 1.251 -2.323 1.00 0.00 C ATOM 609 OE1 GLN A 36 -19.519 0.882 -1.967 1.00 0.00 O ATOM 610 NE2 GLN A 36 -21.661 0.431 -2.206 1.00 0.00 N ATOM 0 H GLN A 36 -19.109 3.916 -4.819 1.00 0.00 H new ATOM 0 HA GLN A 36 -20.870 5.568 -3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -18.959 3.345 -2.280 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.342 3.957 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -21.903 2.881 -2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.642 2.512 -4.056 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -22.590 0.732 -2.500 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -21.525 -0.504 -1.822 1.00 0.00 H new ATOM 619 N LEU A 37 -17.634 5.717 -3.431 1.00 0.00 N ATOM 620 CA LEU A 37 -16.426 6.510 -3.236 1.00 0.00 C ATOM 621 C LEU A 37 -16.705 7.976 -3.631 1.00 0.00 C ATOM 622 O LEU A 37 -17.058 8.232 -4.789 1.00 0.00 O ATOM 623 CB LEU A 37 -15.362 5.827 -4.095 1.00 0.00 C ATOM 624 CG LEU A 37 -13.870 6.006 -3.807 1.00 0.00 C ATOM 625 CD1 LEU A 37 -13.437 7.452 -3.630 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.445 5.067 -2.683 1.00 0.00 C ATOM 0 H LEU A 37 -17.515 4.990 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.086 6.555 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.566 4.757 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.528 6.151 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.318 5.712 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.366 7.489 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.655 8.011 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.978 7.894 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.382 5.198 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.016 5.295 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.633 4.035 -2.980 1.00 0.00 H new ATOM 638 N LYS A 38 -16.570 8.935 -2.701 1.00 0.00 N ATOM 639 CA LYS A 38 -16.711 10.385 -2.954 1.00 0.00 C ATOM 640 C LYS A 38 -15.680 10.872 -3.971 1.00 0.00 C ATOM 641 O LYS A 38 -14.614 10.267 -4.010 1.00 0.00 O ATOM 642 CB LYS A 38 -16.492 11.176 -1.639 1.00 0.00 C ATOM 643 CG LYS A 38 -17.740 11.918 -1.143 1.00 0.00 C ATOM 644 CD LYS A 38 -18.327 11.307 0.137 1.00 0.00 C ATOM 645 CE LYS A 38 -19.791 11.718 0.332 1.00 0.00 C ATOM 646 NZ LYS A 38 -20.011 13.180 0.337 1.00 0.00 N ATOM 0 H LYS A 38 -16.354 8.722 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.715 10.552 -3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.159 10.486 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.689 11.897 -1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.487 12.962 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.498 11.907 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.256 10.220 0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.740 11.627 0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.391 11.274 -0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.151 11.304 1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.003 13.381 0.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.390 13.622 1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.795 13.567 -0.604 1.00 0.00 H new ATOM 660 N ASN A 39 -15.895 12.041 -4.599 1.00 0.00 N ATOM 661 CA ASN A 39 -15.216 12.715 -5.738 1.00 0.00 C ATOM 662 C ASN A 39 -13.756 12.342 -6.020 1.00 0.00 C ATOM 663 O ASN A 39 -12.862 13.193 -6.009 1.00 0.00 O ATOM 664 CB ASN A 39 -15.308 14.239 -5.540 1.00 0.00 C ATOM 665 CG ASN A 39 -16.719 14.721 -5.717 1.00 0.00 C ATOM 666 OD1 ASN A 39 -17.156 14.949 -6.837 1.00 0.00 O ATOM 667 ND2 ASN A 39 -17.456 14.828 -4.629 1.00 0.00 N ATOM 0 H ASN A 39 -16.664 12.628 -4.275 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.754 12.353 -6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.953 14.502 -4.544 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.656 14.742 -6.254 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -18.433 15.111 -4.701 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -17.049 14.628 -3.715 1.00 0.00 H new ATOM 674 N THR A 40 -13.519 11.058 -6.250 1.00 0.00 N ATOM 675 CA THR A 40 -12.263 10.377 -6.504 1.00 0.00 C ATOM 676 C THR A 40 -10.989 11.066 -5.982 1.00 0.00 C ATOM 677 O THR A 40 -9.969 11.113 -6.672 1.00 0.00 O ATOM 678 CB THR A 40 -12.209 9.835 -7.939 1.00 0.00 C ATOM 679 OG1 THR A 40 -12.825 10.680 -8.904 1.00 0.00 O ATOM 680 CG2 THR A 40 -12.900 8.476 -7.998 1.00 0.00 C ATOM 0 H THR A 40 -14.294 10.395 -6.264 1.00 0.00 H new ATOM 0 HA THR A 40 -12.259 9.504 -5.852 1.00 0.00 H new ATOM 0 HB THR A 40 -11.150 9.770 -8.190 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.750 10.272 -9.792 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.861 8.092 -9.017 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.393 7.781 -7.329 1.00 0.00 H new ATOM 0 HG23 THR A 40 -13.940 8.583 -7.690 1.00 0.00 H new ATOM 688 N SER A 41 -11.001 11.512 -4.727 1.00 0.00 N ATOM 689 CA SER A 41 -9.789 11.848 -4.000 1.00 0.00 C ATOM 690 C SER A 41 -9.325 10.647 -3.181 1.00 0.00 C ATOM 691 O SER A 41 -8.125 10.432 -3.057 1.00 0.00 O ATOM 692 CB SER A 41 -10.044 13.043 -3.087 1.00 0.00 C ATOM 693 OG SER A 41 -10.272 14.212 -3.852 1.00 0.00 O ATOM 0 H SER A 41 -11.856 11.649 -4.189 1.00 0.00 H new ATOM 0 HA SER A 41 -9.007 12.111 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.906 12.844 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.189 13.194 -2.428 1.00 0.00 H new ATOM 0 HG SER A 41 -10.436 14.969 -3.252 1.00 0.00 H new ATOM 699 N LEU A 42 -10.248 9.838 -2.642 1.00 0.00 N ATOM 700 CA LEU A 42 -9.886 8.848 -1.627 1.00 0.00 C ATOM 701 C LEU A 42 -9.056 7.737 -2.253 1.00 0.00 C ATOM 702 O LEU A 42 -8.005 7.398 -1.717 1.00 0.00 O ATOM 703 CB LEU A 42 -11.122 8.315 -0.882 1.00 0.00 C ATOM 704 CG LEU A 42 -10.756 7.551 0.407 1.00 0.00 C ATOM 705 CD1 LEU A 42 -11.870 7.694 1.449 1.00 0.00 C ATOM 706 CD2 LEU A 42 -10.515 6.057 0.174 1.00 0.00 C ATOM 0 H LEU A 42 -11.237 9.851 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.271 9.335 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.778 9.149 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.684 7.655 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.827 7.997 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.596 7.149 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.010 8.748 1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.798 7.287 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.262 5.578 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.418 5.602 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.694 5.926 -0.530 1.00 0.00 H new ATOM 718 N ILE A 43 -9.471 7.204 -3.407 1.00 0.00 N ATOM 719 CA ILE A 43 -8.656 6.242 -4.139 1.00 0.00 C ATOM 720 C ILE A 43 -7.317 6.889 -4.497 1.00 0.00 C ATOM 721 O ILE A 43 -6.288 6.266 -4.308 1.00 0.00 O ATOM 722 CB ILE A 43 -9.409 5.670 -5.367 1.00 0.00 C ATOM 723 CG1 ILE A 43 -10.110 4.337 -5.054 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.501 5.497 -6.607 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.122 3.176 -4.937 1.00 0.00 C ATOM 0 H ILE A 43 -10.363 7.424 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.451 5.379 -3.505 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.166 6.417 -5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.668 4.432 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.835 4.117 -5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.086 5.093 -7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.088 6.464 -6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.688 4.811 -6.369 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.665 2.257 -4.715 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.583 3.061 -5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.413 3.381 -4.135 1.00 0.00 H new ATOM 737 N LYS A 44 -7.286 8.112 -5.015 1.00 0.00 N ATOM 738 CA LYS A 44 -6.079 8.784 -5.480 1.00 0.00 C ATOM 739 C LYS A 44 -5.050 8.936 -4.358 1.00 0.00 C ATOM 740 O LYS A 44 -3.860 8.704 -4.556 1.00 0.00 O ATOM 741 CB LYS A 44 -6.565 10.100 -6.096 1.00 0.00 C ATOM 742 CG LYS A 44 -5.495 11.069 -6.575 1.00 0.00 C ATOM 743 CD LYS A 44 -5.105 12.154 -5.564 1.00 0.00 C ATOM 744 CE LYS A 44 -3.856 11.820 -4.741 1.00 0.00 C ATOM 745 NZ LYS A 44 -2.878 12.931 -4.815 1.00 0.00 N ATOM 0 H LYS A 44 -8.126 8.680 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.534 8.211 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.210 9.862 -6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.182 10.613 -5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.603 10.501 -6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.845 11.552 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.936 13.089 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.941 12.321 -4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.134 11.640 -3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.402 10.902 -5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.037 12.691 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.600 13.084 -5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.310 13.799 -4.439 1.00 0.00 H new ATOM 759 N LEU A 45 -5.500 9.309 -3.169 1.00 0.00 N ATOM 760 CA LEU A 45 -4.790 9.397 -1.930 1.00 0.00 C ATOM 761 C LEU A 45 -4.298 8.011 -1.551 1.00 0.00 C ATOM 762 O LEU A 45 -3.109 7.838 -1.309 1.00 0.00 O ATOM 763 CB LEU A 45 -5.824 10.016 -0.967 1.00 0.00 C ATOM 764 CG LEU A 45 -5.407 10.298 0.470 1.00 0.00 C ATOM 765 CD1 LEU A 45 -5.513 9.052 1.350 1.00 0.00 C ATOM 766 CD2 LEU A 45 -4.018 10.898 0.475 1.00 0.00 C ATOM 0 H LEU A 45 -6.475 9.583 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.889 10.010 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.161 10.956 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.687 9.351 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.096 11.021 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.206 9.297 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.544 8.698 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.864 8.271 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.714 11.102 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.317 10.197 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.021 11.828 -0.094 1.00 0.00 H new ATOM 778 N THR A 46 -5.171 7.009 -1.609 1.00 0.00 N ATOM 779 CA THR A 46 -4.837 5.624 -1.337 1.00 0.00 C ATOM 780 C THR A 46 -3.713 5.217 -2.303 1.00 0.00 C ATOM 781 O THR A 46 -2.680 4.764 -1.832 1.00 0.00 O ATOM 782 CB THR A 46 -6.173 4.854 -1.429 1.00 0.00 C ATOM 783 OG1 THR A 46 -7.004 5.244 -0.366 1.00 0.00 O ATOM 784 CG2 THR A 46 -6.173 3.337 -1.480 1.00 0.00 C ATOM 0 H THR A 46 -6.152 7.146 -1.853 1.00 0.00 H new ATOM 0 HA THR A 46 -4.427 5.408 -0.350 1.00 0.00 H new ATOM 0 HB THR A 46 -6.520 5.137 -2.423 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.502 6.050 -0.618 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.199 2.975 -1.543 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.616 3.002 -2.355 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.704 2.943 -0.579 1.00 0.00 H new ATOM 792 N LYS A 47 -3.793 5.475 -3.618 1.00 0.00 N ATOM 793 CA LYS A 47 -2.774 5.096 -4.605 1.00 0.00 C ATOM 794 C LYS A 47 -1.392 5.581 -4.213 1.00 0.00 C ATOM 795 O LYS A 47 -0.432 4.840 -4.400 1.00 0.00 O ATOM 796 CB LYS A 47 -3.009 5.734 -5.998 1.00 0.00 C ATOM 797 CG LYS A 47 -4.239 5.325 -6.801 1.00 0.00 C ATOM 798 CD LYS A 47 -4.030 3.971 -7.498 1.00 0.00 C ATOM 799 CE LYS A 47 -3.485 4.035 -8.931 1.00 0.00 C ATOM 800 NZ LYS A 47 -4.556 4.330 -9.911 1.00 0.00 N ATOM 0 H LYS A 47 -4.587 5.964 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.846 4.009 -4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.049 6.815 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.132 5.522 -6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.104 5.266 -6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.459 6.089 -7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.345 3.375 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.983 3.441 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.713 4.802 -8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.012 3.086 -9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.151 4.366 -10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.280 3.584 -9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.990 5.247 -9.685 1.00 0.00 H new ATOM 814 N ARG A 48 -1.273 6.824 -3.735 1.00 0.00 N ATOM 815 CA ARG A 48 0.030 7.413 -3.441 1.00 0.00 C ATOM 816 C ARG A 48 0.748 6.565 -2.418 1.00 0.00 C ATOM 817 O ARG A 48 1.957 6.346 -2.530 1.00 0.00 O ATOM 818 CB ARG A 48 -0.140 8.875 -2.984 1.00 0.00 C ATOM 819 CG ARG A 48 -0.196 9.152 -1.468 1.00 0.00 C ATOM 820 CD ARG A 48 -0.819 10.510 -1.155 1.00 0.00 C ATOM 821 NE ARG A 48 -0.809 10.759 0.297 1.00 0.00 N ATOM 822 CZ ARG A 48 -0.893 11.954 0.898 1.00 0.00 C ATOM 823 NH1 ARG A 48 -0.931 13.068 0.180 1.00 0.00 N ATOM 824 NH2 ARG A 48 -0.943 12.053 2.216 1.00 0.00 N ATOM 0 H ARG A 48 -2.065 7.438 -3.545 1.00 0.00 H new ATOM 0 HA ARG A 48 0.645 7.432 -4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.684 9.454 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.057 9.261 -3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.772 8.368 -0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.812 9.112 -1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.267 11.297 -1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.842 10.542 -1.529 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.731 9.943 0.904 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.896 13.020 -0.838 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.995 13.973 0.646 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.918 11.212 2.792 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.007 12.971 2.656 1.00 0.00 H new ATOM 838 N ASP A 49 -0.005 6.092 -1.438 1.00 0.00 N ATOM 839 CA ASP A 49 0.491 5.301 -0.350 1.00 0.00 C ATOM 840 C ASP A 49 0.575 3.867 -0.790 1.00 0.00 C ATOM 841 O ASP A 49 1.569 3.239 -0.483 1.00 0.00 O ATOM 842 CB ASP A 49 -0.399 5.525 0.863 1.00 0.00 C ATOM 843 CG ASP A 49 0.247 6.637 1.694 1.00 0.00 C ATOM 844 OD1 ASP A 49 1.239 6.322 2.389 1.00 0.00 O ATOM 845 OD2 ASP A 49 -0.106 7.826 1.518 1.00 0.00 O ATOM 0 H ASP A 49 -1.010 6.260 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 49 1.499 5.595 -0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.406 5.809 0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.491 4.610 1.448 1.00 0.00 H new ATOM 850 N ILE A 50 -0.344 3.364 -1.612 1.00 0.00 N ATOM 851 CA ILE A 50 -0.261 2.012 -2.146 1.00 0.00 C ATOM 852 C ILE A 50 1.037 1.861 -2.903 1.00 0.00 C ATOM 853 O ILE A 50 1.879 1.055 -2.548 1.00 0.00 O ATOM 854 CB ILE A 50 -1.506 1.628 -2.985 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.487 0.890 -2.068 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.293 0.749 -4.236 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.319 1.825 -1.252 1.00 0.00 C ATOM 0 H ILE A 50 -1.164 3.883 -1.924 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.260 1.302 -1.319 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.863 2.581 -3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.140 0.260 -2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.931 0.229 -1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.253 0.564 -4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.630 1.262 -4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.846 -0.201 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.997 1.251 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.670 2.438 -0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.898 2.469 -1.914 1.00 0.00 H new ATOM 869 N ALA A 51 1.279 2.686 -3.905 1.00 0.00 N ATOM 870 CA ALA A 51 2.473 2.563 -4.715 1.00 0.00 C ATOM 871 C ALA A 51 3.741 2.986 -3.945 1.00 0.00 C ATOM 872 O ALA A 51 4.826 2.943 -4.514 1.00 0.00 O ATOM 873 CB ALA A 51 2.260 3.432 -5.953 1.00 0.00 C ATOM 0 H ALA A 51 0.661 3.451 -4.177 1.00 0.00 H new ATOM 0 HA ALA A 51 2.632 1.521 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.138 3.371 -6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.385 3.079 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.105 4.467 -5.649 1.00 0.00 H new ATOM 879 N ARG A 52 3.636 3.401 -2.678 1.00 0.00 N ATOM 880 CA ARG A 52 4.738 3.495 -1.713 1.00 0.00 C ATOM 881 C ARG A 52 4.848 2.192 -0.901 1.00 0.00 C ATOM 882 O ARG A 52 5.892 1.545 -0.902 1.00 0.00 O ATOM 883 CB ARG A 52 4.495 4.778 -0.898 1.00 0.00 C ATOM 884 CG ARG A 52 5.553 5.245 0.106 1.00 0.00 C ATOM 885 CD ARG A 52 5.312 4.640 1.495 1.00 0.00 C ATOM 886 NE ARG A 52 5.687 5.561 2.588 1.00 0.00 N ATOM 887 CZ ARG A 52 5.046 6.681 2.964 1.00 0.00 C ATOM 888 NH1 ARG A 52 3.882 7.048 2.451 1.00 0.00 N ATOM 889 NH2 ARG A 52 5.615 7.488 3.852 1.00 0.00 N ATOM 0 H ARG A 52 2.743 3.693 -2.280 1.00 0.00 H new ATOM 0 HA ARG A 52 5.718 3.585 -2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.337 5.590 -1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.561 4.646 -0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.544 4.962 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.538 6.333 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.260 4.374 1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.884 3.717 1.590 1.00 0.00 H new ATOM 0 HE ARG A 52 6.526 5.320 3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.434 6.471 1.739 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.433 7.907 2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.529 7.255 4.241 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.138 8.341 4.145 1.00 0.00 H new ATOM 903 N ILE A 53 3.800 1.755 -0.210 1.00 0.00 N ATOM 904 CA ILE A 53 3.802 0.551 0.613 1.00 0.00 C ATOM 905 C ILE A 53 3.958 -0.720 -0.229 1.00 0.00 C ATOM 906 O ILE A 53 4.762 -1.576 0.134 1.00 0.00 O ATOM 907 CB ILE A 53 2.562 0.595 1.537 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.586 1.859 2.445 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.525 -0.626 2.456 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.321 2.717 2.463 1.00 0.00 C ATOM 0 H ILE A 53 2.903 2.241 -0.207 1.00 0.00 H new ATOM 0 HA ILE A 53 4.679 0.520 1.259 1.00 0.00 H new ATOM 0 HB ILE A 53 1.686 0.612 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.795 1.540 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.419 2.488 2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.644 -0.573 3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.482 -1.533 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.423 -0.643 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.466 3.565 3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.114 3.080 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.480 2.118 2.813 1.00 0.00 H new ATOM 922 N LYS A 54 3.264 -0.898 -1.353 1.00 0.00 N ATOM 923 CA LYS A 54 3.458 -2.092 -2.170 1.00 0.00 C ATOM 924 C LYS A 54 4.847 -2.072 -2.794 1.00 0.00 C ATOM 925 O LYS A 54 5.431 -3.135 -2.983 1.00 0.00 O ATOM 926 CB LYS A 54 2.319 -2.322 -3.202 1.00 0.00 C ATOM 927 CG LYS A 54 2.397 -1.421 -4.449 1.00 0.00 C ATOM 928 CD LYS A 54 3.277 -2.063 -5.540 1.00 0.00 C ATOM 929 CE LYS A 54 3.109 -1.436 -6.919 1.00 0.00 C ATOM 930 NZ LYS A 54 4.051 -2.046 -7.885 1.00 0.00 N ATOM 0 H LYS A 54 2.573 -0.240 -1.713 1.00 0.00 H new ATOM 0 HA LYS A 54 3.399 -2.962 -1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.339 -3.364 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.361 -2.157 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.395 -1.248 -4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.804 -0.448 -4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.322 -1.985 -5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.042 -3.125 -5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.085 -1.573 -7.265 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.284 -0.362 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.923 -1.607 -8.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.027 -1.893 -7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.865 -3.067 -7.954 1.00 0.00 H new ATOM 944 N THR A 55 5.383 -0.885 -3.085 1.00 0.00 N ATOM 945 CA THR A 55 6.745 -0.723 -3.555 1.00 0.00 C ATOM 946 C THR A 55 7.717 -1.247 -2.504 1.00 0.00 C ATOM 947 O THR A 55 8.678 -1.887 -2.897 1.00 0.00 O ATOM 948 CB THR A 55 6.969 0.745 -3.927 1.00 0.00 C ATOM 949 OG1 THR A 55 6.339 0.986 -5.166 1.00 0.00 O ATOM 950 CG2 THR A 55 8.424 1.215 -3.969 1.00 0.00 C ATOM 0 H THR A 55 4.873 -0.006 -2.998 1.00 0.00 H new ATOM 0 HA THR A 55 6.927 -1.311 -4.455 1.00 0.00 H new ATOM 0 HB THR A 55 6.532 1.331 -3.119 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.995 1.903 -5.185 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.458 2.269 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.878 1.081 -2.987 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.974 0.630 -4.706 1.00 0.00 H new ATOM 958 N ILE A 56 7.472 -1.070 -1.199 1.00 0.00 N ATOM 959 CA ILE A 56 8.340 -1.657 -0.175 1.00 0.00 C ATOM 960 C ILE A 56 8.403 -3.172 -0.351 1.00 0.00 C ATOM 961 O ILE A 56 9.501 -3.721 -0.273 1.00 0.00 O ATOM 962 CB ILE A 56 7.923 -1.221 1.248 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.310 0.257 1.444 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.502 -2.096 2.380 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.779 0.473 1.829 1.00 0.00 C ATOM 0 H ILE A 56 6.688 -0.531 -0.832 1.00 0.00 H new ATOM 0 HA ILE A 56 9.352 -1.275 -0.306 1.00 0.00 H new ATOM 0 HB ILE A 56 6.844 -1.354 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.103 0.801 0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.675 0.688 2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.159 -1.719 3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.166 -3.125 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.591 -2.063 2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.971 1.539 1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.989 -0.041 2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.423 0.074 1.045 1.00 0.00 H new ATOM 977 N LEU A 57 7.273 -3.831 -0.644 1.00 0.00 N ATOM 978 CA LEU A 57 7.282 -5.257 -0.951 1.00 0.00 C ATOM 979 C LEU A 57 8.152 -5.480 -2.181 1.00 0.00 C ATOM 980 O LEU A 57 9.103 -6.241 -2.105 1.00 0.00 O ATOM 981 CB LEU A 57 5.862 -5.849 -1.106 1.00 0.00 C ATOM 982 CG LEU A 57 5.800 -7.292 -0.543 1.00 0.00 C ATOM 983 CD1 LEU A 57 4.410 -7.643 0.001 1.00 0.00 C ATOM 984 CD2 LEU A 57 6.211 -8.314 -1.595 1.00 0.00 C ATOM 0 H LEU A 57 6.350 -3.398 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 57 7.709 -5.799 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.142 -5.219 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.578 -5.852 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 57 6.507 -7.329 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.416 -8.663 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.150 -6.955 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.675 -7.561 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.157 -9.316 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.539 -8.246 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.232 -8.112 -1.919 1.00 0.00 H new ATOM 996 N ARG A 58 7.904 -4.772 -3.288 1.00 0.00 N ATOM 997 CA ARG A 58 8.663 -4.950 -4.526 1.00 0.00 C ATOM 998 C ARG A 58 10.164 -4.796 -4.308 1.00 0.00 C ATOM 999 O ARG A 58 10.913 -5.692 -4.662 1.00 0.00 O ATOM 1000 CB ARG A 58 8.176 -3.991 -5.621 1.00 0.00 C ATOM 1001 CG ARG A 58 8.105 -4.703 -6.985 1.00 0.00 C ATOM 1002 CD ARG A 58 9.433 -5.315 -7.449 1.00 0.00 C ATOM 1003 NE ARG A 58 9.336 -5.940 -8.776 1.00 0.00 N ATOM 1004 CZ ARG A 58 9.714 -5.380 -9.931 1.00 0.00 C ATOM 1005 NH1 ARG A 58 10.032 -4.094 -9.986 1.00 0.00 N ATOM 1006 NH2 ARG A 58 9.763 -6.098 -11.043 1.00 0.00 N ATOM 0 H ARG A 58 7.174 -4.062 -3.349 1.00 0.00 H new ATOM 0 HA ARG A 58 8.484 -5.972 -4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.192 -3.602 -5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.849 -3.136 -5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.354 -5.492 -6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.765 -3.990 -7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.198 -4.539 -7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.758 -6.061 -6.723 1.00 0.00 H new ATOM 0 HE ARG A 58 8.947 -6.882 -8.820 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.990 -3.522 -9.143 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.319 -3.677 -10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.511 -7.086 -11.023 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.052 -5.663 -11.919 1.00 0.00 H new ATOM 1020 N GLU A 59 10.606 -3.690 -3.717 1.00 0.00 N ATOM 1021 CA GLU A 59 12.001 -3.434 -3.354 1.00 0.00 C ATOM 1022 C GLU A 59 12.547 -4.629 -2.566 1.00 0.00 C ATOM 1023 O GLU A 59 13.675 -5.070 -2.799 1.00 0.00 O ATOM 1024 CB GLU A 59 12.081 -2.147 -2.507 1.00 0.00 C ATOM 1025 CG GLU A 59 11.632 -0.881 -3.246 1.00 0.00 C ATOM 1026 CD GLU A 59 12.670 0.247 -3.219 1.00 0.00 C ATOM 1027 OE1 GLU A 59 13.087 0.669 -2.117 1.00 0.00 O ATOM 1028 OE2 GLU A 59 13.010 0.796 -4.293 1.00 0.00 O ATOM 0 H GLU A 59 9.985 -2.920 -3.468 1.00 0.00 H new ATOM 0 HA GLU A 59 12.602 -3.301 -4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.465 -2.272 -1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.108 -2.012 -2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.411 -1.135 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.705 -0.521 -2.801 1.00 0.00 H new ATOM 1035 N ARG A 60 11.764 -5.172 -1.637 1.00 0.00 N ATOM 1036 CA ARG A 60 12.154 -6.358 -0.876 1.00 0.00 C ATOM 1037 C ARG A 60 12.262 -7.606 -1.745 1.00 0.00 C ATOM 1038 O ARG A 60 13.183 -8.384 -1.511 1.00 0.00 O ATOM 1039 CB ARG A 60 11.251 -6.577 0.356 1.00 0.00 C ATOM 1040 CG ARG A 60 11.576 -5.570 1.470 1.00 0.00 C ATOM 1041 CD ARG A 60 10.682 -5.747 2.712 1.00 0.00 C ATOM 1042 NE ARG A 60 11.459 -5.613 3.960 1.00 0.00 N ATOM 1043 CZ ARG A 60 12.375 -6.501 4.375 1.00 0.00 C ATOM 1044 NH1 ARG A 60 12.431 -7.719 3.861 1.00 0.00 N ATOM 1045 NH2 ARG A 60 13.265 -6.159 5.291 1.00 0.00 N ATOM 0 H ARG A 60 10.845 -4.805 -1.391 1.00 0.00 H new ATOM 0 HA ARG A 60 13.159 -6.166 -0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.205 -6.477 0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.382 -7.592 0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.621 -5.681 1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.458 -4.557 1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.885 -5.004 2.697 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.205 -6.727 2.682 1.00 0.00 H new ATOM 0 HE ARG A 60 11.289 -4.794 4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.770 -7.997 3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.135 -8.380 4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.256 -5.218 5.684 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.960 -6.836 5.605 1.00 0.00 H new ATOM 1059 N GLU A 61 11.416 -7.760 -2.759 1.00 0.00 N ATOM 1060 CA GLU A 61 11.387 -8.924 -3.644 1.00 0.00 C ATOM 1061 C GLU A 61 12.748 -9.106 -4.321 1.00 0.00 C ATOM 1062 O GLU A 61 13.213 -10.242 -4.412 1.00 0.00 O ATOM 1063 CB GLU A 61 10.273 -8.870 -4.717 1.00 0.00 C ATOM 1064 CG GLU A 61 8.842 -8.924 -4.172 1.00 0.00 C ATOM 1065 CD GLU A 61 7.742 -8.705 -5.225 1.00 0.00 C ATOM 1066 OE1 GLU A 61 8.002 -8.310 -6.389 1.00 0.00 O ATOM 1067 OE2 GLU A 61 6.554 -8.865 -4.873 1.00 0.00 O ATOM 0 H GLU A 61 10.712 -7.061 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 61 11.160 -9.779 -3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.391 -7.953 -5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.414 -9.702 -5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.685 -9.893 -3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.736 -8.168 -3.394 1.00 0.00 H new ATOM 1074 N LEU A 62 13.384 -8.028 -4.812 1.00 0.00 N ATOM 1075 CA LEU A 62 14.675 -8.130 -5.482 1.00 0.00 C ATOM 1076 C LEU A 62 15.861 -8.000 -4.526 1.00 0.00 C ATOM 1077 O LEU A 62 16.988 -8.310 -4.930 1.00 0.00 O ATOM 1078 CB LEU A 62 14.865 -7.013 -6.512 1.00 0.00 C ATOM 1079 CG LEU A 62 13.665 -6.375 -7.231 1.00 0.00 C ATOM 1080 CD1 LEU A 62 12.529 -7.320 -7.626 1.00 0.00 C ATOM 1081 CD2 LEU A 62 13.204 -5.124 -6.486 1.00 0.00 C ATOM 0 H LEU A 62 13.017 -7.078 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 62 14.659 -9.118 -5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.400 -6.207 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.527 -7.403 -7.285 1.00 0.00 H new ATOM 0 HG LEU A 62 14.036 -6.075 -8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.742 -6.754 -8.125 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.911 -8.085 -8.302 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.124 -7.795 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.354 -4.683 -7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.909 -5.393 -5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.020 -4.402 -6.447 1.00 0.00 H new ATOM 1093 N GLY A 63 15.640 -7.425 -3.342 1.00 0.00 N ATOM 1094 CA GLY A 63 16.651 -7.224 -2.315 1.00 0.00 C ATOM 1095 C GLY A 63 17.049 -5.767 -2.054 1.00 0.00 C ATOM 1096 O GLY A 63 17.943 -5.515 -1.245 1.00 0.00 O ATOM 0 H GLY A 63 14.721 -7.077 -3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.287 -7.655 -1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.545 -7.781 -2.596 1.00 0.00 H new ATOM 1100 N ILE A 64 16.405 -4.787 -2.692 1.00 0.00 N ATOM 1101 CA ILE A 64 16.683 -3.359 -2.611 1.00 0.00 C ATOM 1102 C ILE A 64 16.462 -2.785 -1.204 1.00 0.00 C ATOM 1103 O ILE A 64 16.980 -1.710 -0.893 1.00 0.00 O ATOM 1104 CB ILE A 64 15.774 -2.655 -3.649 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.969 -3.158 -5.090 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.881 -1.130 -3.645 1.00 0.00 C ATOM 1107 CD1 ILE A 64 17.345 -2.884 -5.687 1.00 0.00 C ATOM 0 H ILE A 64 15.626 -4.987 -3.319 1.00 0.00 H new ATOM 0 HA ILE A 64 17.737 -3.185 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 64 14.775 -2.931 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.788 -4.233 -5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 64 15.215 -2.695 -5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 64 15.213 -0.716 -4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.600 -0.748 -2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.907 -0.837 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.385 -3.275 -6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 64 17.527 -1.809 -5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 64 18.108 -3.371 -5.080 1.00 0.00 H new ATOM 1119 N ARG A 65 15.692 -3.466 -0.348 1.00 0.00 N ATOM 1120 CA ARG A 65 15.144 -2.894 0.882 1.00 0.00 C ATOM 1121 C ARG A 65 15.474 -3.719 2.107 1.00 0.00 C ATOM 1122 O ARG A 65 14.810 -3.588 3.139 1.00 0.00 O ATOM 1123 CB ARG A 65 13.640 -2.593 0.730 1.00 0.00 C ATOM 1124 CG ARG A 65 13.344 -1.089 0.665 1.00 0.00 C ATOM 1125 CD ARG A 65 13.558 -0.367 2.010 1.00 0.00 C ATOM 1126 NE ARG A 65 14.874 0.289 2.070 1.00 0.00 N ATOM 1127 CZ ARG A 65 15.986 -0.092 2.714 1.00 0.00 C ATOM 1128 NH1 ARG A 65 15.985 -1.092 3.591 1.00 0.00 N ATOM 1129 NH2 ARG A 65 17.115 0.533 2.423 1.00 0.00 N ATOM 0 H ARG A 65 15.430 -4.441 -0.494 1.00 0.00 H new ATOM 0 HA ARG A 65 15.639 -1.937 1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.267 -3.073 -0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.099 -3.030 1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 65 13.983 -0.632 -0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.313 -0.942 0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.774 0.376 2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.471 -1.084 2.826 1.00 0.00 H new ATOM 0 HE ARG A 65 14.951 1.160 1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 65 15.120 -1.594 3.791 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.849 -1.357 4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.120 1.279 1.728 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.980 0.269 2.894 1.00 0.00 H new ATOM 1143 N ARG A 66 16.539 -4.495 1.976 1.00 0.00 N ATOM 1144 CA ARG A 66 17.198 -5.195 3.038 1.00 0.00 C ATOM 1145 C ARG A 66 17.454 -4.239 4.200 1.00 0.00 C ATOM 1146 O ARG A 66 17.850 -3.077 3.951 1.00 0.00 O ATOM 1147 CB ARG A 66 18.475 -5.762 2.409 1.00 0.00 C ATOM 1148 CG ARG A 66 19.289 -6.640 3.362 1.00 0.00 C ATOM 1149 CD ARG A 66 20.293 -7.473 2.558 1.00 0.00 C ATOM 1150 NE ARG A 66 20.908 -8.525 3.382 1.00 0.00 N ATOM 1151 CZ ARG A 66 20.854 -9.841 3.133 1.00 0.00 C ATOM 1152 NH1 ARG A 66 20.366 -10.323 1.995 1.00 0.00 N ATOM 1153 NH2 ARG A 66 21.289 -10.718 4.024 1.00 0.00 N ATOM 0 H ARG A 66 16.981 -4.654 1.071 1.00 0.00 H new ATOM 0 HA ARG A 66 16.608 -6.007 3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 66 18.208 -6.346 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 66 19.099 -4.936 2.066 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.814 -6.018 4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.625 -7.296 3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 66 19.789 -7.927 1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 66 21.071 -6.821 2.159 1.00 0.00 H new ATOM 0 HE ARG A 66 21.419 -8.228 4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.018 -9.686 1.279 1.00 0.00 H new ATOM 0 HH12 ARG A 66 20.340 -11.330 1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 66 21.671 -10.395 4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 66 21.242 -11.717 3.822 1.00 0.00 H new TER 1167 ARG A 66