USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 606 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 0 MET N :NH3+ -170:sc= 0.0153 (180deg=-0.00121) USER MOD Set 1.2: A 74 SER OG : rot 11:sc= 1.02 USER MOD Single : A 0 MET CE :methyl -128:sc= 0 (180deg=-0.201) USER MOD Single : A 2 LYS NZ :NH3+ 162:sc= 1.67 (180deg=1.6) USER MOD Single : A 4 TYR OH : rot 9:sc= 0.109 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0.634 K(o=0.63,f=0) USER MOD Single : A 7 THR OG1 : rot -169:sc= -0.19 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= -0.0191 (180deg=-0.205) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.798 X(o=-0.8,f=-0.7) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.398 K(o=-0.4,f=-4.2) USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0349) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.978! C(o=-1.7!,f=-0.98!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.15) USER MOD Single : A 51 TYR OH : rot -27:sc= 1.22 USER MOD Single : A 55 SER OG : rot -92:sc= 1.24 USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.16) USER MOD Single : A 66 TYR OH : rot 180:sc= 0.0195 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 25:sc= -0.785 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 14.271 3.759 7.455 1.00 0.00 N ATOM 2 CA MET A 0 13.746 3.216 6.196 1.00 0.00 C ATOM 3 C MET A 0 13.372 1.756 6.456 1.00 0.00 C ATOM 4 O MET A 0 12.982 1.441 7.578 1.00 0.00 O ATOM 5 CB MET A 0 14.652 3.543 4.989 1.00 0.00 C ATOM 6 CG MET A 0 16.157 3.323 5.170 1.00 0.00 C ATOM 7 SD MET A 0 16.672 1.633 5.554 1.00 0.00 S ATOM 8 CE MET A 0 16.444 0.825 3.948 1.00 0.00 C ATOM 0 H1 MET A 0 14.379 4.790 7.370 1.00 0.00 H new ATOM 0 H2 MET A 0 13.611 3.542 8.229 1.00 0.00 H new ATOM 0 H3 MET A 0 15.196 3.330 7.659 1.00 0.00 H new ATOM 0 HA MET A 0 12.827 3.706 5.873 1.00 0.00 H new ATOM 0 HB2 MET A 0 14.321 2.940 4.143 1.00 0.00 H new ATOM 0 HB3 MET A 0 14.492 4.587 4.718 1.00 0.00 H new ATOM 0 HG2 MET A 0 16.662 3.637 4.256 1.00 0.00 H new ATOM 0 HG3 MET A 0 16.506 3.978 5.968 1.00 0.00 H new ATOM 0 HE1 MET A 0 15.836 -0.071 4.074 1.00 0.00 H new ATOM 0 HE2 MET A 0 15.943 1.510 3.264 1.00 0.00 H new ATOM 0 HE3 MET A 0 17.416 0.549 3.538 1.00 0.00 H new ATOM 18 N GLY A 1 13.384 0.859 5.466 1.00 0.00 N ATOM 19 CA GLY A 1 13.101 -0.559 5.687 1.00 0.00 C ATOM 20 C GLY A 1 11.603 -0.871 5.756 1.00 0.00 C ATOM 21 O GLY A 1 11.213 -2.041 5.700 1.00 0.00 O ATOM 0 H GLY A 1 13.589 1.095 4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.551 -1.142 4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.575 -0.877 6.615 1.00 0.00 H new ATOM 25 N LYS A 2 10.740 0.146 5.808 1.00 0.00 N ATOM 26 CA LYS A 2 9.339 0.004 5.439 1.00 0.00 C ATOM 27 C LYS A 2 9.268 -0.414 3.976 1.00 0.00 C ATOM 28 O LYS A 2 10.018 0.101 3.139 1.00 0.00 O ATOM 29 CB LYS A 2 8.617 1.355 5.583 1.00 0.00 C ATOM 30 CG LYS A 2 8.242 1.732 7.020 1.00 0.00 C ATOM 31 CD LYS A 2 6.973 1.041 7.543 1.00 0.00 C ATOM 32 CE LYS A 2 5.674 1.571 6.900 1.00 0.00 C ATOM 33 NZ LYS A 2 5.109 0.669 5.868 1.00 0.00 N ATOM 0 H LYS A 2 10.997 1.087 6.107 1.00 0.00 H new ATOM 0 HA LYS A 2 8.868 -0.736 6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.254 2.138 5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.710 1.333 4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.075 1.483 7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.103 2.812 7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.050 -0.030 7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.915 1.175 8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.930 1.726 7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.872 2.544 6.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.113 0.915 5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.646 0.774 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.172 -0.316 6.196 1.00 0.00 H new ATOM 47 N ASP A 3 8.345 -1.313 3.665 1.00 0.00 N ATOM 48 CA ASP A 3 7.815 -1.507 2.329 1.00 0.00 C ATOM 49 C ASP A 3 6.516 -0.712 2.273 1.00 0.00 C ATOM 50 O ASP A 3 5.948 -0.315 3.302 1.00 0.00 O ATOM 51 CB ASP A 3 7.518 -2.976 1.980 1.00 0.00 C ATOM 52 CG ASP A 3 8.693 -3.923 2.107 1.00 0.00 C ATOM 53 OD1 ASP A 3 9.685 -3.715 1.381 1.00 0.00 O ATOM 54 OD2 ASP A 3 8.570 -4.907 2.876 1.00 0.00 O ATOM 0 H ASP A 3 7.935 -1.942 4.355 1.00 0.00 H new ATOM 0 HA ASP A 3 8.562 -1.178 1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.716 -3.331 2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.146 -3.021 0.957 1.00 0.00 H new ATOM 59 N TYR A 4 6.029 -0.518 1.052 1.00 0.00 N ATOM 60 CA TYR A 4 4.739 0.086 0.760 1.00 0.00 C ATOM 61 C TYR A 4 4.094 -0.760 -0.329 1.00 0.00 C ATOM 62 O TYR A 4 3.045 -1.346 -0.087 1.00 0.00 O ATOM 63 CB TYR A 4 4.910 1.566 0.386 1.00 0.00 C ATOM 64 CG TYR A 4 5.291 2.441 1.564 1.00 0.00 C ATOM 65 CD1 TYR A 4 6.614 2.455 2.036 1.00 0.00 C ATOM 66 CD2 TYR A 4 4.318 3.224 2.212 1.00 0.00 C ATOM 67 CE1 TYR A 4 6.955 3.229 3.152 1.00 0.00 C ATOM 68 CE2 TYR A 4 4.647 3.987 3.349 1.00 0.00 C ATOM 69 CZ TYR A 4 5.982 4.006 3.813 1.00 0.00 C ATOM 70 OH TYR A 4 6.360 4.805 4.844 1.00 0.00 O ATOM 0 H TYR A 4 6.541 -0.787 0.212 1.00 0.00 H new ATOM 0 HA TYR A 4 4.080 0.095 1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.676 1.653 -0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.979 1.935 -0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.370 1.867 1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 4 3.307 3.240 1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.974 3.231 3.510 1.00 0.00 H new ATOM 0 HE2 TYR A 4 3.885 4.554 3.863 1.00 0.00 H new ATOM 0 HH TYR A 4 7.338 4.831 4.896 1.00 0.00 H new ATOM 80 N TYR A 5 4.797 -0.931 -1.461 1.00 0.00 N ATOM 81 CA TYR A 5 4.495 -1.881 -2.524 1.00 0.00 C ATOM 82 C TYR A 5 4.062 -3.228 -1.946 1.00 0.00 C ATOM 83 O TYR A 5 2.888 -3.588 -2.027 1.00 0.00 O ATOM 84 CB TYR A 5 5.736 -2.042 -3.420 1.00 0.00 C ATOM 85 CG TYR A 5 5.848 -1.054 -4.559 1.00 0.00 C ATOM 86 CD1 TYR A 5 5.049 -1.247 -5.699 1.00 0.00 C ATOM 87 CD2 TYR A 5 6.786 -0.002 -4.528 1.00 0.00 C ATOM 88 CE1 TYR A 5 5.200 -0.414 -6.815 1.00 0.00 C ATOM 89 CE2 TYR A 5 6.929 0.847 -5.643 1.00 0.00 C ATOM 90 CZ TYR A 5 6.146 0.627 -6.799 1.00 0.00 C ATOM 91 OH TYR A 5 6.262 1.407 -7.901 1.00 0.00 O ATOM 0 H TYR A 5 5.631 -0.379 -1.661 1.00 0.00 H new ATOM 0 HA TYR A 5 3.666 -1.502 -3.121 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.626 -1.955 -2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.735 -3.050 -3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.316 -2.040 -5.715 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.395 0.153 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.588 -0.572 -7.691 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.635 1.664 -5.615 1.00 0.00 H new ATOM 0 HH TYR A 5 6.952 2.086 -7.750 1.00 0.00 H new ATOM 101 N GLN A 6 5.003 -3.975 -1.363 1.00 0.00 N ATOM 102 CA GLN A 6 4.715 -5.340 -0.959 1.00 0.00 C ATOM 103 C GLN A 6 3.891 -5.407 0.325 1.00 0.00 C ATOM 104 O GLN A 6 3.221 -6.417 0.535 1.00 0.00 O ATOM 105 CB GLN A 6 6.008 -6.165 -0.852 1.00 0.00 C ATOM 106 CG GLN A 6 5.918 -7.494 -1.633 1.00 0.00 C ATOM 107 CD GLN A 6 6.983 -7.566 -2.726 1.00 0.00 C ATOM 108 OE1 GLN A 6 8.160 -7.792 -2.451 1.00 0.00 O ATOM 109 NE2 GLN A 6 6.626 -7.310 -3.971 1.00 0.00 N ATOM 0 H GLN A 6 5.953 -3.659 -1.166 1.00 0.00 H new ATOM 0 HA GLN A 6 4.098 -5.784 -1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.844 -5.578 -1.232 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.217 -6.375 0.197 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.041 -8.331 -0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.928 -7.590 -2.079 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.648 -7.123 -4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.328 -7.299 -4.711 1.00 0.00 H new ATOM 118 N THR A 7 3.828 -4.357 1.150 1.00 0.00 N ATOM 119 CA THR A 7 2.883 -4.337 2.273 1.00 0.00 C ATOM 120 C THR A 7 1.452 -4.435 1.743 1.00 0.00 C ATOM 121 O THR A 7 0.587 -5.048 2.368 1.00 0.00 O ATOM 122 CB THR A 7 3.063 -3.051 3.095 1.00 0.00 C ATOM 123 OG1 THR A 7 4.439 -2.815 3.278 1.00 0.00 O ATOM 124 CG2 THR A 7 2.407 -3.137 4.473 1.00 0.00 C ATOM 0 H THR A 7 4.409 -3.523 1.065 1.00 0.00 H new ATOM 0 HA THR A 7 3.080 -5.191 2.922 1.00 0.00 H new ATOM 0 HB THR A 7 2.583 -2.243 2.542 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.564 -2.103 3.940 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.565 -2.202 5.010 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.338 -3.312 4.357 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.850 -3.958 5.036 1.00 0.00 H new ATOM 132 N LEU A 8 1.240 -3.972 0.512 1.00 0.00 N ATOM 133 CA LEU A 8 -0.027 -3.998 -0.189 1.00 0.00 C ATOM 134 C LEU A 8 -0.025 -5.033 -1.320 1.00 0.00 C ATOM 135 O LEU A 8 -0.898 -5.011 -2.183 1.00 0.00 O ATOM 136 CB LEU A 8 -0.397 -2.563 -0.598 1.00 0.00 C ATOM 137 CG LEU A 8 -1.916 -2.352 -0.720 1.00 0.00 C ATOM 138 CD1 LEU A 8 -2.556 -2.381 0.666 1.00 0.00 C ATOM 139 CD2 LEU A 8 -2.258 -0.984 -1.293 1.00 0.00 C ATOM 0 H LEU A 8 1.986 -3.551 -0.042 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.827 -4.346 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.004 -1.865 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.076 -2.328 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.283 -3.145 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.632 -2.231 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.363 -3.346 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.131 -1.587 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.341 -0.879 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.858 -0.207 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.820 -0.886 -2.286 1.00 0.00 H new ATOM 151 N GLY A 9 0.931 -5.967 -1.308 1.00 0.00 N ATOM 152 CA GLY A 9 0.937 -7.109 -2.208 1.00 0.00 C ATOM 153 C GLY A 9 1.174 -6.716 -3.662 1.00 0.00 C ATOM 154 O GLY A 9 0.862 -7.506 -4.549 1.00 0.00 O ATOM 0 H GLY A 9 1.724 -5.946 -0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.712 -7.808 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.016 -7.633 -2.129 1.00 0.00 H new ATOM 158 N LEU A 10 1.714 -5.524 -3.928 1.00 0.00 N ATOM 159 CA LEU A 10 2.168 -5.122 -5.255 1.00 0.00 C ATOM 160 C LEU A 10 3.666 -5.372 -5.367 1.00 0.00 C ATOM 161 O LEU A 10 4.335 -5.675 -4.376 1.00 0.00 O ATOM 162 CB LEU A 10 1.862 -3.638 -5.505 1.00 0.00 C ATOM 163 CG LEU A 10 0.348 -3.361 -5.580 1.00 0.00 C ATOM 164 CD1 LEU A 10 -0.042 -2.396 -4.465 1.00 0.00 C ATOM 165 CD2 LEU A 10 -0.047 -2.778 -6.932 1.00 0.00 C ATOM 0 H LEU A 10 1.848 -4.805 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 10 1.640 -5.710 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.300 -3.039 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.334 -3.323 -6.436 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.181 -4.306 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.113 -2.197 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.201 -2.839 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.507 -1.462 -4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.121 -2.595 -6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.483 -1.839 -7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.214 -3.482 -7.722 1.00 0.00 H new ATOM 177 N ALA A 11 4.208 -5.178 -6.566 1.00 0.00 N ATOM 178 CA ALA A 11 5.630 -5.219 -6.856 1.00 0.00 C ATOM 179 C ALA A 11 6.046 -3.924 -7.546 1.00 0.00 C ATOM 180 O ALA A 11 5.222 -3.266 -8.191 1.00 0.00 O ATOM 181 CB ALA A 11 5.900 -6.421 -7.763 1.00 0.00 C ATOM 0 H ALA A 11 3.643 -4.980 -7.392 1.00 0.00 H new ATOM 0 HA ALA A 11 6.207 -5.319 -5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.964 -6.471 -7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.596 -7.336 -7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.333 -6.314 -8.688 1.00 0.00 H new ATOM 187 N ARG A 12 7.341 -3.591 -7.478 1.00 0.00 N ATOM 188 CA ARG A 12 7.919 -2.597 -8.384 1.00 0.00 C ATOM 189 C ARG A 12 7.693 -3.129 -9.795 1.00 0.00 C ATOM 190 O ARG A 12 8.225 -4.195 -10.128 1.00 0.00 O ATOM 191 CB ARG A 12 9.418 -2.362 -8.129 1.00 0.00 C ATOM 192 CG ARG A 12 9.753 -1.408 -6.970 1.00 0.00 C ATOM 193 CD ARG A 12 9.710 -2.051 -5.570 1.00 0.00 C ATOM 194 NE ARG A 12 10.704 -1.432 -4.670 1.00 0.00 N ATOM 195 CZ ARG A 12 12.033 -1.577 -4.786 1.00 0.00 C ATOM 196 NH1 ARG A 12 12.529 -2.521 -5.579 1.00 0.00 N ATOM 197 NH2 ARG A 12 12.871 -0.778 -4.136 1.00 0.00 N ATOM 0 H ARG A 12 8.001 -3.992 -6.811 1.00 0.00 H new ATOM 0 HA ARG A 12 7.442 -1.629 -8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.890 -3.324 -7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.866 -1.968 -9.041 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.748 -0.995 -7.134 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.053 -0.572 -6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.712 -1.940 -5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.905 -3.120 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 12 10.356 -0.853 -3.906 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.900 -3.134 -6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.539 -2.633 -5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.508 -0.038 -3.535 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.878 -0.904 -4.237 1.00 0.00 H new ATOM 211 N GLY A 13 6.875 -2.427 -10.574 1.00 0.00 N ATOM 212 CA GLY A 13 6.324 -2.876 -11.844 1.00 0.00 C ATOM 213 C GLY A 13 4.847 -2.490 -11.962 1.00 0.00 C ATOM 214 O GLY A 13 4.344 -2.332 -13.075 1.00 0.00 O ATOM 0 H GLY A 13 6.566 -1.488 -10.324 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.887 -2.434 -12.666 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.430 -3.957 -11.930 1.00 0.00 H new ATOM 218 N ALA A 14 4.138 -2.324 -10.839 1.00 0.00 N ATOM 219 CA ALA A 14 2.753 -1.869 -10.819 1.00 0.00 C ATOM 220 C ALA A 14 2.619 -0.443 -11.360 1.00 0.00 C ATOM 221 O ALA A 14 3.561 0.351 -11.292 1.00 0.00 O ATOM 222 CB ALA A 14 2.242 -1.894 -9.378 1.00 0.00 C ATOM 0 H ALA A 14 4.519 -2.505 -9.911 1.00 0.00 H new ATOM 0 HA ALA A 14 2.169 -2.535 -11.455 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.206 -1.555 -9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.301 -2.910 -8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.854 -1.234 -8.763 1.00 0.00 H new ATOM 228 N SER A 15 1.411 -0.087 -11.778 1.00 0.00 N ATOM 229 CA SER A 15 0.934 1.272 -12.014 1.00 0.00 C ATOM 230 C SER A 15 -0.362 1.442 -11.232 1.00 0.00 C ATOM 231 O SER A 15 -0.848 0.485 -10.629 1.00 0.00 O ATOM 232 CB SER A 15 0.719 1.479 -13.516 1.00 0.00 C ATOM 233 OG SER A 15 -0.171 0.496 -14.017 1.00 0.00 O ATOM 0 H SER A 15 0.692 -0.783 -11.974 1.00 0.00 H new ATOM 0 HA SER A 15 1.657 2.017 -11.681 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.316 2.475 -13.700 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.673 1.419 -14.040 1.00 0.00 H new ATOM 0 HG SER A 15 -0.305 0.635 -14.978 1.00 0.00 H new ATOM 239 N ASP A 16 -0.946 2.637 -11.222 1.00 0.00 N ATOM 240 CA ASP A 16 -2.145 2.900 -10.442 1.00 0.00 C ATOM 241 C ASP A 16 -3.366 2.065 -10.837 1.00 0.00 C ATOM 242 O ASP A 16 -4.248 1.871 -10.001 1.00 0.00 O ATOM 243 CB ASP A 16 -2.453 4.390 -10.290 1.00 0.00 C ATOM 244 CG ASP A 16 -2.952 5.095 -11.547 1.00 0.00 C ATOM 245 OD1 ASP A 16 -4.039 4.744 -12.054 1.00 0.00 O ATOM 246 OD2 ASP A 16 -2.263 6.054 -11.978 1.00 0.00 O ATOM 0 H ASP A 16 -0.604 3.440 -11.749 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.894 2.543 -9.443 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.202 4.509 -9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.550 4.895 -9.947 1.00 0.00 H new ATOM 251 N GLU A 17 -3.395 1.475 -12.034 1.00 0.00 N ATOM 252 CA GLU A 17 -4.411 0.503 -12.446 1.00 0.00 C ATOM 253 C GLU A 17 -4.218 -0.867 -11.792 1.00 0.00 C ATOM 254 O GLU A 17 -5.154 -1.663 -11.734 1.00 0.00 O ATOM 255 CB GLU A 17 -4.389 0.419 -13.982 1.00 0.00 C ATOM 256 CG GLU A 17 -5.495 -0.458 -14.584 1.00 0.00 C ATOM 257 CD GLU A 17 -6.890 0.037 -14.193 1.00 0.00 C ATOM 258 OE1 GLU A 17 -7.398 -0.338 -13.113 1.00 0.00 O ATOM 259 OE2 GLU A 17 -7.487 0.843 -14.942 1.00 0.00 O ATOM 0 H GLU A 17 -2.701 1.663 -12.757 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.390 0.839 -12.106 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.478 1.426 -14.390 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.421 0.031 -14.299 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.403 -0.464 -15.670 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.367 -1.487 -14.247 1.00 0.00 H new ATOM 266 N GLU A 18 -3.032 -1.133 -11.257 1.00 0.00 N ATOM 267 CA GLU A 18 -2.726 -2.291 -10.435 1.00 0.00 C ATOM 268 C GLU A 18 -2.964 -1.892 -8.966 1.00 0.00 C ATOM 269 O GLU A 18 -3.357 -2.733 -8.163 1.00 0.00 O ATOM 270 CB GLU A 18 -1.244 -2.646 -10.668 1.00 0.00 C ATOM 271 CG GLU A 18 -0.982 -4.076 -11.147 1.00 0.00 C ATOM 272 CD GLU A 18 -1.316 -5.180 -10.146 1.00 0.00 C ATOM 273 OE1 GLU A 18 -0.439 -5.523 -9.319 1.00 0.00 O ATOM 274 OE2 GLU A 18 -2.368 -5.832 -10.342 1.00 0.00 O ATOM 0 H GLU A 18 -2.227 -0.521 -11.391 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.347 -3.152 -10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.832 -1.953 -11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.698 -2.486 -9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.560 -4.247 -12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.070 -4.162 -11.418 1.00 0.00 H new ATOM 281 N ILE A 19 -2.754 -0.614 -8.605 1.00 0.00 N ATOM 282 CA ILE A 19 -2.788 -0.128 -7.229 1.00 0.00 C ATOM 283 C ILE A 19 -4.175 -0.359 -6.674 1.00 0.00 C ATOM 284 O ILE A 19 -4.303 -1.165 -5.763 1.00 0.00 O ATOM 285 CB ILE A 19 -2.363 1.351 -7.100 1.00 0.00 C ATOM 286 CG1 ILE A 19 -0.866 1.562 -7.428 1.00 0.00 C ATOM 287 CG2 ILE A 19 -2.689 1.946 -5.721 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.119 1.198 -6.330 1.00 0.00 C ATOM 0 H ILE A 19 -2.552 0.121 -9.283 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.055 -0.687 -6.647 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.955 1.886 -7.842 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.623 0.975 -8.314 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.717 2.610 -7.689 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.368 2.987 -5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.764 1.892 -5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.167 1.381 -4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.135 1.388 -6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.083 1.802 -5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.012 0.142 -6.081 1.00 0.00 H new ATOM 300 N LYS A 20 -5.207 0.336 -7.173 1.00 0.00 N ATOM 301 CA LYS A 20 -6.534 0.221 -6.552 1.00 0.00 C ATOM 302 C LYS A 20 -7.030 -1.219 -6.617 1.00 0.00 C ATOM 303 O LYS A 20 -7.605 -1.708 -5.648 1.00 0.00 O ATOM 304 CB LYS A 20 -7.564 1.208 -7.114 1.00 0.00 C ATOM 305 CG LYS A 20 -7.383 2.600 -6.491 1.00 0.00 C ATOM 306 CD LYS A 20 -8.466 3.595 -6.939 1.00 0.00 C ATOM 307 CE LYS A 20 -8.220 4.167 -8.338 1.00 0.00 C ATOM 308 NZ LYS A 20 -6.997 4.996 -8.412 1.00 0.00 N ATOM 0 H LYS A 20 -5.155 0.963 -7.976 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.415 0.501 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.459 1.273 -8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.571 0.843 -6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.402 2.513 -5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.402 2.990 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.436 3.098 -6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.516 4.415 -6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.141 3.347 -9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.079 4.768 -8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.002 5.544 -9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.969 5.647 -7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.159 4.381 -8.391 1.00 0.00 H new ATOM 322 N ARG A 21 -6.714 -1.920 -7.702 1.00 0.00 N ATOM 323 CA ARG A 21 -6.917 -3.345 -7.905 1.00 0.00 C ATOM 324 C ARG A 21 -6.460 -4.115 -6.662 1.00 0.00 C ATOM 325 O ARG A 21 -7.262 -4.833 -6.059 1.00 0.00 O ATOM 326 CB ARG A 21 -6.154 -3.720 -9.196 1.00 0.00 C ATOM 327 CG ARG A 21 -6.933 -4.583 -10.186 1.00 0.00 C ATOM 328 CD ARG A 21 -8.088 -3.812 -10.831 1.00 0.00 C ATOM 329 NE ARG A 21 -8.536 -4.489 -12.053 1.00 0.00 N ATOM 330 CZ ARG A 21 -8.153 -4.203 -13.304 1.00 0.00 C ATOM 331 NH1 ARG A 21 -7.368 -3.172 -13.585 1.00 0.00 N ATOM 332 NH2 ARG A 21 -8.552 -4.980 -14.300 1.00 0.00 N ATOM 0 H ARG A 21 -6.282 -1.477 -8.513 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.966 -3.610 -8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.851 -2.802 -9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.241 -4.248 -8.919 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.258 -4.943 -10.963 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.325 -5.461 -9.672 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.917 -3.731 -10.128 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.769 -2.797 -11.066 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.204 -5.251 -11.939 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.035 -2.565 -12.836 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.097 -2.986 -14.551 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.146 -5.788 -14.111 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.266 -4.771 -15.256 1.00 0.00 H new ATOM 346 N ALA A 22 -5.203 -3.926 -6.257 1.00 0.00 N ATOM 347 CA ALA A 22 -4.587 -4.524 -5.080 1.00 0.00 C ATOM 348 C ALA A 22 -5.081 -3.926 -3.764 1.00 0.00 C ATOM 349 O ALA A 22 -5.274 -4.676 -2.816 1.00 0.00 O ATOM 350 CB ALA A 22 -3.069 -4.395 -5.188 1.00 0.00 C ATOM 0 H ALA A 22 -4.559 -3.322 -6.768 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.880 -5.574 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.603 -4.841 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.723 -4.911 -6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.797 -3.341 -5.248 1.00 0.00 H new ATOM 356 N TYR A 23 -5.300 -2.619 -3.654 1.00 0.00 N ATOM 357 CA TYR A 23 -5.625 -1.914 -2.432 1.00 0.00 C ATOM 358 C TYR A 23 -7.016 -2.332 -1.952 1.00 0.00 C ATOM 359 O TYR A 23 -7.219 -2.594 -0.763 1.00 0.00 O ATOM 360 CB TYR A 23 -5.465 -0.423 -2.799 1.00 0.00 C ATOM 361 CG TYR A 23 -6.502 0.567 -2.377 1.00 0.00 C ATOM 362 CD1 TYR A 23 -7.711 0.638 -3.093 1.00 0.00 C ATOM 363 CD2 TYR A 23 -6.166 1.548 -1.431 1.00 0.00 C ATOM 364 CE1 TYR A 23 -8.605 1.681 -2.860 1.00 0.00 C ATOM 365 CE2 TYR A 23 -7.054 2.601 -1.193 1.00 0.00 C ATOM 366 CZ TYR A 23 -8.262 2.663 -1.914 1.00 0.00 C ATOM 367 OH TYR A 23 -9.127 3.684 -1.668 1.00 0.00 O ATOM 0 H TYR A 23 -5.251 -1.997 -4.461 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.982 -2.142 -1.582 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.512 -0.089 -2.389 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.383 -0.364 -3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.947 -0.119 -3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.231 1.490 -0.893 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.542 1.734 -3.395 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.816 3.360 -0.463 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.746 4.279 -0.989 1.00 0.00 H new ATOM 377 N ARG A 24 -7.968 -2.473 -2.875 1.00 0.00 N ATOM 378 CA ARG A 24 -9.341 -2.832 -2.557 1.00 0.00 C ATOM 379 C ARG A 24 -9.365 -4.249 -2.001 1.00 0.00 C ATOM 380 O ARG A 24 -9.886 -4.471 -0.905 1.00 0.00 O ATOM 381 CB ARG A 24 -10.203 -2.652 -3.816 1.00 0.00 C ATOM 382 CG ARG A 24 -11.621 -2.161 -3.510 1.00 0.00 C ATOM 383 CD ARG A 24 -12.316 -1.831 -4.837 1.00 0.00 C ATOM 384 NE ARG A 24 -12.749 -3.041 -5.554 1.00 0.00 N ATOM 385 CZ ARG A 24 -13.942 -3.630 -5.417 1.00 0.00 C ATOM 386 NH1 ARG A 24 -14.801 -3.215 -4.491 1.00 0.00 N ATOM 387 NH2 ARG A 24 -14.282 -4.637 -6.216 1.00 0.00 N ATOM 0 H ARG A 24 -7.801 -2.339 -3.872 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.761 -2.184 -1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.716 -1.942 -4.484 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.261 -3.602 -4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.179 -2.926 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.587 -1.279 -2.870 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.181 -1.196 -4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.636 -1.260 -5.469 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.088 -3.463 -6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.553 -2.440 -3.876 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.708 -3.672 -4.396 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.633 -4.960 -6.933 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.192 -5.086 -6.111 1.00 0.00 H new ATOM 401 N ARG A 25 -8.746 -5.198 -2.717 1.00 0.00 N ATOM 402 CA ARG A 25 -8.636 -6.571 -2.236 1.00 0.00 C ATOM 403 C ARG A 25 -7.778 -6.674 -0.980 1.00 0.00 C ATOM 404 O ARG A 25 -8.031 -7.580 -0.196 1.00 0.00 O ATOM 405 CB ARG A 25 -8.179 -7.547 -3.342 1.00 0.00 C ATOM 406 CG ARG A 25 -6.798 -7.312 -3.963 1.00 0.00 C ATOM 407 CD ARG A 25 -5.612 -7.935 -3.207 1.00 0.00 C ATOM 408 NE ARG A 25 -5.431 -9.351 -3.568 1.00 0.00 N ATOM 409 CZ ARG A 25 -4.364 -9.911 -4.151 1.00 0.00 C ATOM 410 NH1 ARG A 25 -3.247 -9.217 -4.363 1.00 0.00 N ATOM 411 NH2 ARG A 25 -4.431 -11.173 -4.550 1.00 0.00 N ATOM 0 H ARG A 25 -8.317 -5.035 -3.628 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.641 -6.881 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.195 -8.556 -2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.918 -7.518 -4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.805 -7.706 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.632 -6.237 -4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.702 -7.380 -3.434 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.777 -7.850 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.207 -9.976 -3.349 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.193 -8.239 -4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.446 -9.664 -4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.289 -11.707 -4.412 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.624 -11.611 -4.995 1.00 0.00 H new ATOM 425 N GLN A 26 -6.777 -5.810 -0.767 1.00 0.00 N ATOM 426 CA GLN A 26 -5.886 -5.954 0.372 1.00 0.00 C ATOM 427 C GLN A 26 -6.619 -5.676 1.674 1.00 0.00 C ATOM 428 O GLN A 26 -6.488 -6.478 2.591 1.00 0.00 O ATOM 429 CB GLN A 26 -4.651 -5.059 0.214 1.00 0.00 C ATOM 430 CG GLN A 26 -3.460 -5.830 -0.363 1.00 0.00 C ATOM 431 CD GLN A 26 -2.906 -6.915 0.556 1.00 0.00 C ATOM 432 OE1 GLN A 26 -3.269 -8.081 0.438 1.00 0.00 O ATOM 433 NE2 GLN A 26 -2.012 -6.581 1.476 1.00 0.00 N ATOM 0 H GLN A 26 -6.572 -5.012 -1.368 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.540 -6.987 0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.891 -4.220 -0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.378 -4.641 1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.761 -6.288 -1.305 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.662 -5.124 -0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.714 -5.610 1.569 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.622 -7.295 2.091 1.00 0.00 H new ATOM 442 N ALA A 27 -7.422 -4.609 1.754 1.00 0.00 N ATOM 443 CA ALA A 27 -8.273 -4.418 2.926 1.00 0.00 C ATOM 444 C ALA A 27 -9.139 -5.667 3.116 1.00 0.00 C ATOM 445 O ALA A 27 -9.123 -6.287 4.176 1.00 0.00 O ATOM 446 CB ALA A 27 -9.116 -3.146 2.790 1.00 0.00 C ATOM 0 H ALA A 27 -7.498 -3.884 1.040 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.656 -4.284 3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.741 -3.027 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.458 -2.282 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.750 -3.222 1.907 1.00 0.00 H new ATOM 452 N LEU A 28 -9.818 -6.101 2.051 1.00 0.00 N ATOM 453 CA LEU A 28 -10.711 -7.257 2.054 1.00 0.00 C ATOM 454 C LEU A 28 -10.020 -8.582 2.451 1.00 0.00 C ATOM 455 O LEU A 28 -10.706 -9.572 2.708 1.00 0.00 O ATOM 456 CB LEU A 28 -11.335 -7.371 0.647 1.00 0.00 C ATOM 457 CG LEU A 28 -12.679 -8.125 0.625 1.00 0.00 C ATOM 458 CD1 LEU A 28 -13.855 -7.154 0.479 1.00 0.00 C ATOM 459 CD2 LEU A 28 -12.716 -9.154 -0.511 1.00 0.00 C ATOM 0 H LEU A 28 -9.759 -5.645 1.141 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.471 -7.095 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.484 -6.370 0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.632 -7.880 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.772 -8.648 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.790 -7.714 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.860 -6.459 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.753 -6.597 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.676 -9.671 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.586 -8.646 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.913 -9.878 -0.373 1.00 0.00 H new ATOM 471 N ARG A 29 -8.682 -8.647 2.491 1.00 0.00 N ATOM 472 CA ARG A 29 -7.911 -9.830 2.838 1.00 0.00 C ATOM 473 C ARG A 29 -7.624 -9.886 4.340 1.00 0.00 C ATOM 474 O ARG A 29 -7.416 -10.992 4.845 1.00 0.00 O ATOM 475 CB ARG A 29 -6.629 -9.788 1.984 1.00 0.00 C ATOM 476 CG ARG A 29 -5.607 -10.912 2.170 1.00 0.00 C ATOM 477 CD ARG A 29 -6.081 -12.317 1.771 1.00 0.00 C ATOM 478 NE ARG A 29 -6.863 -12.950 2.839 1.00 0.00 N ATOM 479 CZ ARG A 29 -7.552 -14.093 2.763 1.00 0.00 C ATOM 480 NH1 ARG A 29 -7.585 -14.814 1.648 1.00 0.00 N ATOM 481 NH2 ARG A 29 -8.237 -14.495 3.823 1.00 0.00 N ATOM 0 H ARG A 29 -8.093 -7.843 2.273 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.466 -10.743 2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.926 -9.776 0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.125 -8.842 2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.718 -10.670 1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.306 -10.934 3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.685 -12.254 0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.218 -12.939 1.535 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.883 -12.466 3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.076 -14.499 0.822 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.119 -15.683 1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.232 -13.935 4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.770 -15.364 3.786 1.00 0.00 H new ATOM 495 N TYR A 30 -7.630 -8.760 5.060 1.00 0.00 N ATOM 496 CA TYR A 30 -7.235 -8.706 6.476 1.00 0.00 C ATOM 497 C TYR A 30 -8.187 -7.905 7.368 1.00 0.00 C ATOM 498 O TYR A 30 -7.939 -7.820 8.572 1.00 0.00 O ATOM 499 CB TYR A 30 -5.827 -8.099 6.617 1.00 0.00 C ATOM 500 CG TYR A 30 -4.724 -8.793 5.849 1.00 0.00 C ATOM 501 CD1 TYR A 30 -3.978 -9.823 6.446 1.00 0.00 C ATOM 502 CD2 TYR A 30 -4.419 -8.371 4.546 1.00 0.00 C ATOM 503 CE1 TYR A 30 -2.914 -10.426 5.749 1.00 0.00 C ATOM 504 CE2 TYR A 30 -3.376 -8.979 3.835 1.00 0.00 C ATOM 505 CZ TYR A 30 -2.611 -9.999 4.436 1.00 0.00 C ATOM 506 OH TYR A 30 -1.602 -10.565 3.723 1.00 0.00 O ATOM 0 H TYR A 30 -7.909 -7.856 4.679 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.263 -9.742 6.815 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.868 -7.059 6.294 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.559 -8.095 7.674 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.222 -10.154 7.445 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.990 -7.576 4.090 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.333 -11.209 6.214 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.158 -8.666 2.825 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.546 -10.141 2.841 1.00 0.00 H new ATOM 516 N HIS A 31 -9.236 -7.286 6.827 1.00 0.00 N ATOM 517 CA HIS A 31 -10.177 -6.517 7.626 1.00 0.00 C ATOM 518 C HIS A 31 -10.849 -7.470 8.634 1.00 0.00 C ATOM 519 O HIS A 31 -11.390 -8.502 8.222 1.00 0.00 O ATOM 520 CB HIS A 31 -11.164 -5.788 6.700 1.00 0.00 C ATOM 521 CG HIS A 31 -11.879 -4.597 7.296 1.00 0.00 C ATOM 522 ND1 HIS A 31 -11.384 -3.694 8.213 1.00 0.00 N ATOM 523 CD2 HIS A 31 -13.097 -4.127 6.888 1.00 0.00 C ATOM 524 CE1 HIS A 31 -12.309 -2.734 8.387 1.00 0.00 C ATOM 525 NE2 HIS A 31 -13.353 -2.926 7.567 1.00 0.00 N ATOM 0 H HIS A 31 -9.452 -7.306 5.830 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.678 -5.738 8.202 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.622 -5.455 5.815 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.913 -6.505 6.364 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -10.477 -3.745 8.677 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -13.749 -4.599 6.168 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.223 -1.919 9.091 1.00 0.00 H new ATOM 533 N PRO A 32 -10.789 -7.193 9.953 1.00 0.00 N ATOM 534 CA PRO A 32 -11.274 -8.108 10.987 1.00 0.00 C ATOM 535 C PRO A 32 -12.810 -8.201 11.046 1.00 0.00 C ATOM 536 O PRO A 32 -13.339 -8.856 11.944 1.00 0.00 O ATOM 537 CB PRO A 32 -10.659 -7.599 12.296 1.00 0.00 C ATOM 538 CG PRO A 32 -10.532 -6.099 12.062 1.00 0.00 C ATOM 539 CD PRO A 32 -10.188 -6.021 10.577 1.00 0.00 C ATOM 0 HA PRO A 32 -10.971 -9.133 10.775 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.296 -7.820 13.153 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.690 -8.059 12.491 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.459 -5.573 12.291 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.753 -5.657 12.682 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.578 -5.104 10.136 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.108 -6.013 10.428 1.00 0.00 H new ATOM 547 N ASP A 33 -13.515 -7.590 10.089 1.00 0.00 N ATOM 548 CA ASP A 33 -14.949 -7.750 9.869 1.00 0.00 C ATOM 549 C ASP A 33 -15.225 -9.005 9.025 1.00 0.00 C ATOM 550 O ASP A 33 -16.351 -9.492 9.003 1.00 0.00 O ATOM 551 CB ASP A 33 -15.502 -6.503 9.138 1.00 0.00 C ATOM 552 CG ASP A 33 -15.252 -6.514 7.623 1.00 0.00 C ATOM 553 OD1 ASP A 33 -14.136 -6.904 7.210 1.00 0.00 O ATOM 554 OD2 ASP A 33 -16.123 -6.081 6.834 1.00 0.00 O ATOM 0 H ASP A 33 -13.084 -6.948 9.424 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.443 -7.860 10.834 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -16.574 -6.432 9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.046 -5.610 9.566 1.00 0.00 H new ATOM 559 N LYS A 34 -14.201 -9.554 8.362 1.00 0.00 N ATOM 560 CA LYS A 34 -14.314 -10.628 7.385 1.00 0.00 C ATOM 561 C LYS A 34 -13.228 -11.680 7.568 1.00 0.00 C ATOM 562 O LYS A 34 -13.472 -12.842 7.250 1.00 0.00 O ATOM 563 CB LYS A 34 -14.245 -9.989 5.987 1.00 0.00 C ATOM 564 CG LYS A 34 -14.003 -11.012 4.867 1.00 0.00 C ATOM 565 CD LYS A 34 -13.981 -10.359 3.484 1.00 0.00 C ATOM 566 CE LYS A 34 -13.294 -11.285 2.472 1.00 0.00 C ATOM 567 NZ LYS A 34 -13.955 -12.603 2.361 1.00 0.00 N ATOM 0 H LYS A 34 -13.238 -9.247 8.501 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.261 -11.152 7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.176 -9.458 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.446 -9.248 5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.056 -11.522 5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.784 -11.772 4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.999 -10.144 3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.454 -9.406 3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.286 -10.804 1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.254 -11.429 2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.525 -13.143 1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.837 -13.127 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.968 -12.468 2.170 1.00 0.00 H new ATOM 581 N ASN A 35 -12.023 -11.307 8.003 1.00 0.00 N ATOM 582 CA ASN A 35 -10.915 -12.228 8.160 1.00 0.00 C ATOM 583 C ASN A 35 -10.178 -11.780 9.400 1.00 0.00 C ATOM 584 O ASN A 35 -9.428 -10.802 9.349 1.00 0.00 O ATOM 585 CB ASN A 35 -9.971 -12.224 6.939 1.00 0.00 C ATOM 586 CG ASN A 35 -9.032 -13.419 6.951 1.00 0.00 C ATOM 587 OD1 ASN A 35 -7.828 -13.252 6.435 1.00 0.00 O flip ATOM 588 ND2 ASN A 35 -9.404 -14.519 7.340 1.00 0.00 N flip ATOM 0 H ASN A 35 -11.795 -10.346 8.257 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.282 -13.251 8.246 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.561 -12.234 6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.388 -11.303 6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.337 -14.631 7.736 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.781 -15.323 7.268 1.00 0.00 H new ATOM 595 N LYS A 36 -10.400 -12.451 10.524 1.00 0.00 N ATOM 596 CA LYS A 36 -9.567 -12.242 11.700 1.00 0.00 C ATOM 597 C LYS A 36 -8.353 -13.134 11.482 1.00 0.00 C ATOM 598 O LYS A 36 -8.285 -14.270 11.952 1.00 0.00 O ATOM 599 CB LYS A 36 -10.337 -12.481 12.998 1.00 0.00 C ATOM 600 CG LYS A 36 -11.390 -11.374 13.197 1.00 0.00 C ATOM 601 CD LYS A 36 -12.213 -11.516 14.485 1.00 0.00 C ATOM 602 CE LYS A 36 -11.396 -11.388 15.780 1.00 0.00 C ATOM 603 NZ LYS A 36 -10.781 -10.055 15.960 1.00 0.00 N ATOM 0 H LYS A 36 -11.144 -13.139 10.645 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.242 -11.208 11.818 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.823 -13.456 12.968 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.648 -12.495 13.842 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.888 -10.407 13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.068 -11.375 12.343 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.995 -10.757 14.487 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.710 -12.486 14.478 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.044 -11.599 16.631 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.611 -12.145 15.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.245 -10.037 16.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.138 -9.859 15.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.526 -9.330 15.989 1.00 0.00 H new ATOM 617 N GLU A 37 -7.454 -12.654 10.630 1.00 0.00 N ATOM 618 CA GLU A 37 -6.273 -13.353 10.190 1.00 0.00 C ATOM 619 C GLU A 37 -5.310 -13.434 11.393 1.00 0.00 C ATOM 620 O GLU A 37 -5.088 -12.397 12.028 1.00 0.00 O ATOM 621 CB GLU A 37 -5.683 -12.516 9.057 1.00 0.00 C ATOM 622 CG GLU A 37 -4.379 -13.067 8.478 1.00 0.00 C ATOM 623 CD GLU A 37 -4.502 -14.372 7.701 1.00 0.00 C ATOM 624 OE1 GLU A 37 -5.427 -14.522 6.874 1.00 0.00 O ATOM 625 OE2 GLU A 37 -3.611 -15.237 7.868 1.00 0.00 O ATOM 0 H GLU A 37 -7.541 -11.726 10.215 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.470 -14.365 9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.419 -12.440 8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.505 -11.505 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.948 -12.313 7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.674 -13.217 9.296 1.00 0.00 H new ATOM 632 N PRO A 38 -4.724 -14.596 11.727 1.00 0.00 N ATOM 633 CA PRO A 38 -3.880 -14.745 12.906 1.00 0.00 C ATOM 634 C PRO A 38 -2.688 -13.781 12.891 1.00 0.00 C ATOM 635 O PRO A 38 -1.860 -13.832 11.980 1.00 0.00 O ATOM 636 CB PRO A 38 -3.460 -16.217 12.950 1.00 0.00 C ATOM 637 CG PRO A 38 -3.761 -16.752 11.552 1.00 0.00 C ATOM 638 CD PRO A 38 -4.928 -15.886 11.095 1.00 0.00 C ATOM 0 HA PRO A 38 -4.423 -14.481 13.813 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.402 -16.319 13.193 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.016 -16.764 13.711 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.902 -16.653 10.889 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.027 -17.809 11.573 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.946 -15.793 10.009 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.881 -16.323 11.393 1.00 0.00 H new ATOM 646 N GLY A 39 -2.607 -12.891 13.884 1.00 0.00 N ATOM 647 CA GLY A 39 -1.501 -11.960 14.118 1.00 0.00 C ATOM 648 C GLY A 39 -1.393 -10.807 13.116 1.00 0.00 C ATOM 649 O GLY A 39 -0.779 -9.779 13.414 1.00 0.00 O ATOM 0 H GLY A 39 -3.347 -12.796 14.580 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.606 -11.541 15.119 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.566 -12.521 14.104 1.00 0.00 H new ATOM 653 N ALA A 40 -2.024 -10.927 11.949 1.00 0.00 N ATOM 654 CA ALA A 40 -2.040 -9.942 10.877 1.00 0.00 C ATOM 655 C ALA A 40 -2.931 -8.733 11.189 1.00 0.00 C ATOM 656 O ALA A 40 -3.214 -7.938 10.297 1.00 0.00 O ATOM 657 CB ALA A 40 -2.511 -10.636 9.611 1.00 0.00 C ATOM 0 H ALA A 40 -2.566 -11.760 11.717 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.032 -9.546 10.755 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.533 -9.920 8.790 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.827 -11.449 9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.512 -11.039 9.768 1.00 0.00 H new ATOM 663 N GLU A 41 -3.376 -8.560 12.431 1.00 0.00 N ATOM 664 CA GLU A 41 -4.017 -7.331 12.875 1.00 0.00 C ATOM 665 C GLU A 41 -3.008 -6.167 12.814 1.00 0.00 C ATOM 666 O GLU A 41 -3.383 -5.036 12.501 1.00 0.00 O ATOM 667 CB GLU A 41 -4.579 -7.579 14.276 1.00 0.00 C ATOM 668 CG GLU A 41 -5.524 -6.479 14.760 1.00 0.00 C ATOM 669 CD GLU A 41 -6.053 -6.850 16.141 1.00 0.00 C ATOM 670 OE1 GLU A 41 -6.932 -7.742 16.237 1.00 0.00 O ATOM 671 OE2 GLU A 41 -5.498 -6.336 17.137 1.00 0.00 O ATOM 0 H GLU A 41 -3.301 -9.272 13.158 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.844 -7.045 12.225 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.110 -8.531 14.282 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.751 -7.671 14.979 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.000 -5.524 14.802 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.351 -6.358 14.060 1.00 0.00 H new ATOM 678 N GLU A 42 -1.716 -6.451 13.017 1.00 0.00 N ATOM 679 CA GLU A 42 -0.607 -5.561 12.673 1.00 0.00 C ATOM 680 C GLU A 42 -0.564 -5.304 11.170 1.00 0.00 C ATOM 681 O GLU A 42 -0.479 -4.160 10.730 1.00 0.00 O ATOM 682 CB GLU A 42 0.693 -6.207 13.153 1.00 0.00 C ATOM 683 CG GLU A 42 1.990 -5.634 12.564 1.00 0.00 C ATOM 684 CD GLU A 42 2.198 -4.116 12.614 1.00 0.00 C ATOM 685 OE1 GLU A 42 1.384 -3.373 13.193 1.00 0.00 O ATOM 686 OE2 GLU A 42 3.243 -3.650 12.101 1.00 0.00 O ATOM 0 H GLU A 42 -1.408 -7.329 13.436 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.742 -4.596 13.161 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.740 -6.117 14.238 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.653 -7.272 12.922 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.827 -6.102 13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.048 -5.944 11.521 1.00 0.00 H new ATOM 693 N LYS A 43 -0.685 -6.367 10.375 1.00 0.00 N ATOM 694 CA LYS A 43 -0.643 -6.290 8.925 1.00 0.00 C ATOM 695 C LYS A 43 -1.722 -5.344 8.426 1.00 0.00 C ATOM 696 O LYS A 43 -1.447 -4.534 7.554 1.00 0.00 O ATOM 697 CB LYS A 43 -0.807 -7.685 8.302 1.00 0.00 C ATOM 698 CG LYS A 43 0.055 -7.873 7.050 1.00 0.00 C ATOM 699 CD LYS A 43 1.534 -8.127 7.398 1.00 0.00 C ATOM 700 CE LYS A 43 2.496 -7.610 6.320 1.00 0.00 C ATOM 701 NZ LYS A 43 2.335 -8.308 5.029 1.00 0.00 N ATOM 0 H LYS A 43 -0.816 -7.314 10.729 1.00 0.00 H new ATOM 0 HA LYS A 43 0.329 -5.901 8.621 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.541 -8.442 9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.854 -7.844 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.329 -8.711 6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.022 -6.986 6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.767 -7.645 8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.691 -9.197 7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.331 -6.542 6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.522 -7.730 6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.008 -7.920 4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.518 -9.324 5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.365 -8.173 4.680 1.00 0.00 H new ATOM 715 N PHE A 44 -2.919 -5.421 9.003 1.00 0.00 N ATOM 716 CA PHE A 44 -4.030 -4.532 8.689 1.00 0.00 C ATOM 717 C PHE A 44 -3.635 -3.058 8.838 1.00 0.00 C ATOM 718 O PHE A 44 -3.872 -2.260 7.928 1.00 0.00 O ATOM 719 CB PHE A 44 -5.250 -4.855 9.565 1.00 0.00 C ATOM 720 CG PHE A 44 -6.457 -4.008 9.207 1.00 0.00 C ATOM 721 CD1 PHE A 44 -7.274 -4.380 8.127 1.00 0.00 C ATOM 722 CD2 PHE A 44 -6.691 -2.785 9.865 1.00 0.00 C ATOM 723 CE1 PHE A 44 -8.293 -3.523 7.680 1.00 0.00 C ATOM 724 CE2 PHE A 44 -7.731 -1.941 9.438 1.00 0.00 C ATOM 725 CZ PHE A 44 -8.521 -2.302 8.334 1.00 0.00 C ATOM 0 H PHE A 44 -3.146 -6.116 9.714 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.297 -4.699 7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.504 -5.909 9.456 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.995 -4.695 10.613 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.118 -5.330 7.638 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.070 -2.495 10.700 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.901 -3.803 6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.923 -1.015 9.959 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.303 -1.641 7.989 1.00 0.00 H new ATOM 735 N LYS A 45 -3.066 -2.664 9.979 1.00 0.00 N ATOM 736 CA LYS A 45 -2.684 -1.271 10.187 1.00 0.00 C ATOM 737 C LYS A 45 -1.434 -0.882 9.398 1.00 0.00 C ATOM 738 O LYS A 45 -1.349 0.256 8.951 1.00 0.00 O ATOM 739 CB LYS A 45 -2.662 -0.873 11.670 1.00 0.00 C ATOM 740 CG LYS A 45 -1.851 -1.766 12.620 1.00 0.00 C ATOM 741 CD LYS A 45 -2.136 -1.347 14.074 1.00 0.00 C ATOM 742 CE LYS A 45 -1.645 -2.376 15.097 1.00 0.00 C ATOM 743 NZ LYS A 45 -0.177 -2.455 15.161 1.00 0.00 N ATOM 0 H LYS A 45 -2.862 -3.284 10.763 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.477 -0.658 9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.271 0.142 11.743 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.691 -0.844 12.028 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.118 -2.812 12.471 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.786 -1.675 12.404 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.656 -0.388 14.271 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.208 -1.199 14.201 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.034 -2.118 16.082 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.047 -3.357 14.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.107 -2.932 16.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.178 -2.993 14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.223 -1.495 15.143 1.00 0.00 H new ATOM 757 N GLU A 46 -0.515 -1.799 9.092 1.00 0.00 N ATOM 758 CA GLU A 46 0.619 -1.474 8.242 1.00 0.00 C ATOM 759 C GLU A 46 0.188 -1.327 6.785 1.00 0.00 C ATOM 760 O GLU A 46 0.697 -0.459 6.072 1.00 0.00 O ATOM 761 CB GLU A 46 1.709 -2.541 8.384 1.00 0.00 C ATOM 762 CG GLU A 46 3.037 -1.904 8.789 1.00 0.00 C ATOM 763 CD GLU A 46 4.222 -2.363 7.944 1.00 0.00 C ATOM 764 OE1 GLU A 46 4.446 -1.814 6.840 1.00 0.00 O ATOM 765 OE2 GLU A 46 4.979 -3.255 8.399 1.00 0.00 O ATOM 0 H GLU A 46 -0.537 -2.765 9.420 1.00 0.00 H new ATOM 0 HA GLU A 46 1.027 -0.516 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.410 -3.277 9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.828 -3.074 7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.947 -0.820 8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.237 -2.136 9.835 1.00 0.00 H new ATOM 772 N ILE A 47 -0.795 -2.124 6.360 1.00 0.00 N ATOM 773 CA ILE A 47 -1.531 -1.925 5.130 1.00 0.00 C ATOM 774 C ILE A 47 -2.085 -0.511 5.145 1.00 0.00 C ATOM 775 O ILE A 47 -1.851 0.169 4.160 1.00 0.00 O ATOM 776 CB ILE A 47 -2.603 -3.022 4.915 1.00 0.00 C ATOM 777 CG1 ILE A 47 -1.885 -4.297 4.439 1.00 0.00 C ATOM 778 CG2 ILE A 47 -3.670 -2.585 3.894 1.00 0.00 C ATOM 779 CD1 ILE A 47 -2.766 -5.548 4.490 1.00 0.00 C ATOM 0 H ILE A 47 -1.102 -2.944 6.883 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.874 -2.027 4.266 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.127 -3.206 5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.537 -4.149 3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.001 -4.459 5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.404 -3.382 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.169 -1.684 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.194 -2.379 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.196 -6.409 4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.093 -5.721 5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.637 -5.406 3.850 1.00 0.00 H new ATOM 791 N ALA A 48 -2.747 -0.050 6.214 1.00 0.00 N ATOM 792 CA ALA A 48 -3.329 1.289 6.294 1.00 0.00 C ATOM 793 C ALA A 48 -2.276 2.382 6.099 1.00 0.00 C ATOM 794 O ALA A 48 -2.540 3.361 5.397 1.00 0.00 O ATOM 795 CB ALA A 48 -4.090 1.471 7.609 1.00 0.00 C ATOM 0 H ALA A 48 -2.893 -0.606 7.056 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.041 1.389 5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.515 2.474 7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.891 0.735 7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.406 1.334 8.447 1.00 0.00 H new ATOM 801 N GLU A 49 -1.080 2.201 6.656 1.00 0.00 N ATOM 802 CA GLU A 49 0.011 3.164 6.516 1.00 0.00 C ATOM 803 C GLU A 49 0.476 3.212 5.060 1.00 0.00 C ATOM 804 O GLU A 49 0.747 4.285 4.511 1.00 0.00 O ATOM 805 CB GLU A 49 1.188 2.791 7.439 1.00 0.00 C ATOM 806 CG GLU A 49 2.123 3.976 7.716 1.00 0.00 C ATOM 807 CD GLU A 49 1.380 5.143 8.379 1.00 0.00 C ATOM 808 OE1 GLU A 49 0.973 5.032 9.558 1.00 0.00 O ATOM 809 OE2 GLU A 49 1.149 6.173 7.707 1.00 0.00 O ATOM 0 H GLU A 49 -0.840 1.383 7.217 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.353 4.149 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.798 2.413 8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.759 1.982 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.940 3.652 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.570 4.313 6.781 1.00 0.00 H new ATOM 816 N ALA A 50 0.540 2.046 4.413 1.00 0.00 N ATOM 817 CA ALA A 50 0.873 1.964 3.004 1.00 0.00 C ATOM 818 C ALA A 50 -0.293 2.431 2.129 1.00 0.00 C ATOM 819 O ALA A 50 -0.057 2.855 1.002 1.00 0.00 O ATOM 820 CB ALA A 50 1.287 0.532 2.645 1.00 0.00 C ATOM 0 H ALA A 50 0.363 1.143 4.854 1.00 0.00 H new ATOM 0 HA ALA A 50 1.713 2.631 2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.535 0.480 1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.157 0.246 3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.463 -0.149 2.859 1.00 0.00 H new ATOM 826 N TYR A 51 -1.526 2.372 2.634 1.00 0.00 N ATOM 827 CA TYR A 51 -2.761 2.603 1.899 1.00 0.00 C ATOM 828 C TYR A 51 -2.803 4.087 1.574 1.00 0.00 C ATOM 829 O TYR A 51 -3.103 4.468 0.444 1.00 0.00 O ATOM 830 CB TYR A 51 -3.947 2.234 2.807 1.00 0.00 C ATOM 831 CG TYR A 51 -5.136 1.580 2.156 1.00 0.00 C ATOM 832 CD1 TYR A 51 -4.969 0.246 1.749 1.00 0.00 C ATOM 833 CD2 TYR A 51 -6.410 2.175 2.132 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.061 -0.503 1.296 1.00 0.00 C ATOM 835 CE2 TYR A 51 -7.513 1.430 1.673 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.337 0.094 1.240 1.00 0.00 C ATOM 837 OH TYR A 51 -8.387 -0.611 0.741 1.00 0.00 O ATOM 0 H TYR A 51 -1.694 2.151 3.615 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.813 2.006 0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.580 1.567 3.587 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.290 3.143 3.300 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.989 -0.206 1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.541 3.195 2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.927 -1.531 0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.495 1.879 1.651 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.060 -1.274 0.098 1.00 0.00 H new ATOM 847 N ASP A 52 -2.462 4.911 2.571 1.00 0.00 N ATOM 848 CA ASP A 52 -2.412 6.364 2.455 1.00 0.00 C ATOM 849 C ASP A 52 -1.493 6.785 1.307 1.00 0.00 C ATOM 850 O ASP A 52 -1.913 7.526 0.424 1.00 0.00 O ATOM 851 CB ASP A 52 -1.970 6.995 3.782 1.00 0.00 C ATOM 852 CG ASP A 52 -2.440 8.447 3.847 1.00 0.00 C ATOM 853 OD1 ASP A 52 -3.670 8.639 3.961 1.00 0.00 O ATOM 854 OD2 ASP A 52 -1.612 9.392 3.807 1.00 0.00 O ATOM 0 H ASP A 52 -2.208 4.574 3.500 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.414 6.727 2.228 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.383 6.432 4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.885 6.950 3.873 1.00 0.00 H new ATOM 859 N VAL A 53 -0.268 6.248 1.268 1.00 0.00 N ATOM 860 CA VAL A 53 0.688 6.511 0.194 1.00 0.00 C ATOM 861 C VAL A 53 0.156 5.980 -1.129 1.00 0.00 C ATOM 862 O VAL A 53 0.154 6.706 -2.116 1.00 0.00 O ATOM 863 CB VAL A 53 2.053 5.866 0.512 1.00 0.00 C ATOM 864 CG1 VAL A 53 3.014 5.824 -0.687 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.767 6.647 1.609 1.00 0.00 C ATOM 0 H VAL A 53 0.087 5.616 1.986 1.00 0.00 H new ATOM 0 HA VAL A 53 0.823 7.589 0.113 1.00 0.00 H new ATOM 0 HB VAL A 53 1.817 4.845 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.952 5.357 -0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.564 5.246 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.209 6.839 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.728 6.179 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.928 7.673 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.156 6.648 2.512 1.00 0.00 H new ATOM 875 N LEU A 54 -0.168 4.687 -1.195 1.00 0.00 N ATOM 876 CA LEU A 54 -0.426 4.031 -2.465 1.00 0.00 C ATOM 877 C LEU A 54 -1.662 4.639 -3.125 1.00 0.00 C ATOM 878 O LEU A 54 -1.660 4.795 -4.341 1.00 0.00 O ATOM 879 CB LEU A 54 -0.455 2.507 -2.292 1.00 0.00 C ATOM 880 CG LEU A 54 0.902 1.820 -2.588 1.00 0.00 C ATOM 881 CD1 LEU A 54 2.123 2.466 -1.936 1.00 0.00 C ATOM 882 CD2 LEU A 54 0.881 0.356 -2.161 1.00 0.00 C ATOM 0 H LEU A 54 -0.256 4.079 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 54 0.392 4.212 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.756 2.272 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.215 2.090 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 54 1.010 1.933 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.019 1.907 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.218 3.495 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.004 2.457 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.846 -0.101 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.684 0.292 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.098 -0.171 -2.706 1.00 0.00 H new ATOM 894 N SER A 55 -2.674 5.038 -2.351 1.00 0.00 N ATOM 895 CA SER A 55 -3.835 5.717 -2.902 1.00 0.00 C ATOM 896 C SER A 55 -3.507 7.147 -3.354 1.00 0.00 C ATOM 897 O SER A 55 -3.991 7.547 -4.414 1.00 0.00 O ATOM 898 CB SER A 55 -5.005 5.662 -1.912 1.00 0.00 C ATOM 899 OG SER A 55 -4.716 6.268 -0.664 1.00 0.00 O ATOM 0 H SER A 55 -2.707 4.900 -1.341 1.00 0.00 H new ATOM 0 HA SER A 55 -4.143 5.188 -3.804 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.870 6.156 -2.355 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.282 4.621 -1.746 1.00 0.00 H new ATOM 0 HG SER A 55 -4.369 5.592 -0.045 1.00 0.00 H new ATOM 905 N ASP A 56 -2.733 7.925 -2.578 1.00 0.00 N ATOM 906 CA ASP A 56 -2.478 9.345 -2.842 1.00 0.00 C ATOM 907 C ASP A 56 -1.239 9.576 -3.721 1.00 0.00 C ATOM 908 O ASP A 56 -0.111 9.540 -3.218 1.00 0.00 O ATOM 909 CB ASP A 56 -2.313 10.154 -1.546 1.00 0.00 C ATOM 910 CG ASP A 56 -1.849 11.575 -1.880 1.00 0.00 C ATOM 911 OD1 ASP A 56 -2.386 12.166 -2.849 1.00 0.00 O ATOM 912 OD2 ASP A 56 -0.926 12.085 -1.215 1.00 0.00 O ATOM 0 H ASP A 56 -2.263 7.578 -1.742 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.360 9.692 -3.380 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.258 10.188 -1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.588 9.669 -0.893 1.00 0.00 H new ATOM 917 N PRO A 57 -1.397 9.920 -5.012 1.00 0.00 N ATOM 918 CA PRO A 57 -0.256 10.103 -5.892 1.00 0.00 C ATOM 919 C PRO A 57 0.613 11.320 -5.545 1.00 0.00 C ATOM 920 O PRO A 57 1.696 11.432 -6.114 1.00 0.00 O ATOM 921 CB PRO A 57 -0.845 10.211 -7.299 1.00 0.00 C ATOM 922 CG PRO A 57 -2.240 10.783 -7.066 1.00 0.00 C ATOM 923 CD PRO A 57 -2.640 10.143 -5.740 1.00 0.00 C ATOM 0 HA PRO A 57 0.432 9.264 -5.792 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.246 10.863 -7.935 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.888 9.239 -7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.228 11.871 -7.004 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.927 10.517 -7.869 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.310 10.794 -5.179 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.170 9.205 -5.904 1.00 0.00 H new ATOM 931 N ARG A 58 0.199 12.249 -4.670 1.00 0.00 N ATOM 932 CA ARG A 58 0.997 13.447 -4.360 1.00 0.00 C ATOM 933 C ARG A 58 2.023 13.133 -3.281 1.00 0.00 C ATOM 934 O ARG A 58 3.175 13.540 -3.417 1.00 0.00 O ATOM 935 CB ARG A 58 0.088 14.611 -3.918 1.00 0.00 C ATOM 936 CG ARG A 58 -0.574 15.362 -5.085 1.00 0.00 C ATOM 937 CD ARG A 58 -1.375 14.459 -6.031 1.00 0.00 C ATOM 938 NE ARG A 58 -2.170 15.218 -7.006 1.00 0.00 N ATOM 939 CZ ARG A 58 -1.742 15.678 -8.189 1.00 0.00 C ATOM 940 NH1 ARG A 58 -0.448 15.671 -8.499 1.00 0.00 N ATOM 941 NH2 ARG A 58 -2.643 16.132 -9.051 1.00 0.00 N ATOM 0 H ARG A 58 -0.685 12.194 -4.164 1.00 0.00 H new ATOM 0 HA ARG A 58 1.524 13.752 -5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.690 14.222 -3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.677 15.317 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.237 16.128 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.198 15.877 -5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.690 13.799 -6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.038 13.824 -5.444 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.140 15.413 -6.759 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.234 15.312 -7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.139 16.025 -9.404 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.633 16.125 -8.805 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.346 16.488 -9.959 1.00 0.00 H new ATOM 955 N LYS A 59 1.674 12.325 -2.281 1.00 0.00 N ATOM 956 CA LYS A 59 2.650 11.824 -1.323 1.00 0.00 C ATOM 957 C LYS A 59 3.483 10.769 -2.033 1.00 0.00 C ATOM 958 O LYS A 59 4.714 10.806 -1.949 1.00 0.00 O ATOM 959 CB LYS A 59 1.900 11.238 -0.122 1.00 0.00 C ATOM 960 CG LYS A 59 2.844 10.652 0.937 1.00 0.00 C ATOM 961 CD LYS A 59 2.068 10.122 2.148 1.00 0.00 C ATOM 962 CE LYS A 59 1.404 11.267 2.910 1.00 0.00 C ATOM 963 NZ LYS A 59 0.756 10.795 4.143 1.00 0.00 N ATOM 0 H LYS A 59 0.720 12.005 -2.116 1.00 0.00 H new ATOM 0 HA LYS A 59 3.308 12.612 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.288 12.016 0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.220 10.459 -0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.430 9.845 0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.549 11.418 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.310 9.411 1.818 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.744 9.582 2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.151 12.021 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.664 11.749 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.618 11.596 4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.166 10.374 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.358 10.080 4.600 1.00 0.00 H new ATOM 977 N ARG A 60 2.855 9.865 -2.795 1.00 0.00 N ATOM 978 CA ARG A 60 3.579 8.919 -3.606 1.00 0.00 C ATOM 979 C ARG A 60 4.515 9.567 -4.604 1.00 0.00 C ATOM 980 O ARG A 60 5.482 8.913 -4.957 1.00 0.00 O ATOM 981 CB ARG A 60 2.593 7.999 -4.324 1.00 0.00 C ATOM 982 CG ARG A 60 3.228 6.624 -4.398 1.00 0.00 C ATOM 983 CD ARG A 60 2.196 5.600 -4.840 1.00 0.00 C ATOM 984 NE ARG A 60 2.836 4.296 -5.089 1.00 0.00 N ATOM 985 CZ ARG A 60 2.768 3.584 -6.223 1.00 0.00 C ATOM 986 NH1 ARG A 60 1.900 3.856 -7.189 1.00 0.00 N ATOM 987 NH2 ARG A 60 3.590 2.554 -6.395 1.00 0.00 N ATOM 0 H ARG A 60 1.840 9.781 -2.857 1.00 0.00 H new ATOM 0 HA ARG A 60 4.211 8.343 -2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.646 7.956 -3.786 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.375 8.375 -5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.063 6.637 -5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.633 6.348 -3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.428 5.494 -4.073 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.697 5.946 -5.745 1.00 0.00 H new ATOM 0 HE ARG A 60 3.383 3.897 -4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.249 4.634 -7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.884 3.287 -8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.264 2.312 -5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.547 2.005 -7.254 1.00 0.00 H new ATOM 1001 N GLU A 61 4.311 10.818 -5.011 1.00 0.00 N ATOM 1002 CA GLU A 61 5.215 11.519 -5.915 1.00 0.00 C ATOM 1003 C GLU A 61 6.652 11.473 -5.379 1.00 0.00 C ATOM 1004 O GLU A 61 7.597 11.210 -6.119 1.00 0.00 O ATOM 1005 CB GLU A 61 4.717 12.968 -6.084 1.00 0.00 C ATOM 1006 CG GLU A 61 5.239 13.633 -7.355 1.00 0.00 C ATOM 1007 CD GLU A 61 4.122 14.121 -8.279 1.00 0.00 C ATOM 1008 OE1 GLU A 61 3.689 15.287 -8.157 1.00 0.00 O ATOM 1009 OE2 GLU A 61 3.747 13.350 -9.198 1.00 0.00 O ATOM 0 H GLU A 61 3.508 11.376 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 61 5.222 11.032 -6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.627 12.972 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.026 13.556 -5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.872 14.478 -7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.867 12.926 -7.896 1.00 0.00 H new ATOM 1016 N ILE A 62 6.802 11.629 -4.062 1.00 0.00 N ATOM 1017 CA ILE A 62 8.081 11.646 -3.368 1.00 0.00 C ATOM 1018 C ILE A 62 8.634 10.215 -3.313 1.00 0.00 C ATOM 1019 O ILE A 62 9.847 10.004 -3.348 1.00 0.00 O ATOM 1020 CB ILE A 62 7.868 12.222 -1.943 1.00 0.00 C ATOM 1021 CG1 ILE A 62 7.106 13.569 -1.973 1.00 0.00 C ATOM 1022 CG2 ILE A 62 9.210 12.406 -1.213 1.00 0.00 C ATOM 1023 CD1 ILE A 62 6.731 14.090 -0.587 1.00 0.00 C ATOM 0 H ILE A 62 6.008 11.750 -3.434 1.00 0.00 H new ATOM 0 HA ILE A 62 8.801 12.275 -3.892 1.00 0.00 H new ATOM 0 HB ILE A 62 7.262 11.497 -1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.721 14.314 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.199 13.451 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.030 12.811 -0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.713 11.443 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.839 13.095 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.200 15.037 -0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.090 13.364 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.636 14.241 0.002 1.00 0.00 H new ATOM 1035 N PHE A 63 7.770 9.209 -3.187 1.00 0.00 N ATOM 1036 CA PHE A 63 8.176 7.813 -3.121 1.00 0.00 C ATOM 1037 C PHE A 63 8.589 7.297 -4.497 1.00 0.00 C ATOM 1038 O PHE A 63 9.540 6.529 -4.609 1.00 0.00 O ATOM 1039 CB PHE A 63 7.020 6.988 -2.539 1.00 0.00 C ATOM 1040 CG PHE A 63 7.440 5.613 -2.070 1.00 0.00 C ATOM 1041 CD1 PHE A 63 7.536 4.545 -2.983 1.00 0.00 C ATOM 1042 CD2 PHE A 63 7.769 5.409 -0.717 1.00 0.00 C ATOM 1043 CE1 PHE A 63 7.958 3.279 -2.541 1.00 0.00 C ATOM 1044 CE2 PHE A 63 8.192 4.145 -0.280 1.00 0.00 C ATOM 1045 CZ PHE A 63 8.280 3.076 -1.188 1.00 0.00 C ATOM 0 H PHE A 63 6.761 9.345 -3.128 1.00 0.00 H new ATOM 0 HA PHE A 63 9.047 7.717 -2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.581 7.531 -1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.241 6.884 -3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.286 4.699 -4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.696 6.226 -0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.035 2.461 -3.242 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.451 3.993 0.757 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.594 2.101 -0.847 1.00 0.00 H new ATOM 1055 N ASP A 64 7.881 7.708 -5.542 1.00 0.00 N ATOM 1056 CA ASP A 64 8.087 7.270 -6.913 1.00 0.00 C ATOM 1057 C ASP A 64 9.386 7.851 -7.456 1.00 0.00 C ATOM 1058 O ASP A 64 10.108 7.174 -8.182 1.00 0.00 O ATOM 1059 CB ASP A 64 6.895 7.719 -7.764 1.00 0.00 C ATOM 1060 CG ASP A 64 6.718 6.874 -9.025 1.00 0.00 C ATOM 1061 OD1 ASP A 64 6.468 5.651 -8.901 1.00 0.00 O ATOM 1062 OD2 ASP A 64 6.696 7.428 -10.143 1.00 0.00 O ATOM 0 H ASP A 64 7.120 8.381 -5.452 1.00 0.00 H new ATOM 0 HA ASP A 64 8.162 6.183 -6.947 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.986 7.665 -7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.029 8.763 -8.047 1.00 0.00 H new ATOM 1067 N ARG A 65 9.711 9.088 -7.067 1.00 0.00 N ATOM 1068 CA ARG A 65 10.936 9.760 -7.477 1.00 0.00 C ATOM 1069 C ARG A 65 12.096 9.194 -6.662 1.00 0.00 C ATOM 1070 O ARG A 65 13.026 8.647 -7.251 1.00 0.00 O ATOM 1071 CB ARG A 65 10.727 11.275 -7.346 1.00 0.00 C ATOM 1072 CG ARG A 65 11.948 12.191 -7.186 1.00 0.00 C ATOM 1073 CD ARG A 65 11.461 13.629 -7.428 1.00 0.00 C ATOM 1074 NE ARG A 65 12.510 14.645 -7.259 1.00 0.00 N ATOM 1075 CZ ARG A 65 12.365 15.941 -7.570 1.00 0.00 C ATOM 1076 NH1 ARG A 65 11.329 16.365 -8.287 1.00 0.00 N ATOM 1077 NH2 ARG A 65 13.262 16.817 -7.146 1.00 0.00 N ATOM 0 H ARG A 65 9.122 9.651 -6.453 1.00 0.00 H new ATOM 0 HA ARG A 65 11.188 9.581 -8.522 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.181 11.608 -8.229 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.077 11.443 -6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.378 12.091 -6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.728 11.922 -7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.057 13.701 -8.438 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.643 13.846 -6.741 1.00 0.00 H new ATOM 0 HE ARG A 65 13.408 14.344 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.627 15.700 -8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.236 17.355 -8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.056 16.504 -6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.159 17.805 -7.378 1.00 0.00 H new ATOM 1091 N TYR A 66 12.054 9.336 -5.334 1.00 0.00 N ATOM 1092 CA TYR A 66 13.167 8.962 -4.458 1.00 0.00 C ATOM 1093 C TYR A 66 13.108 7.476 -4.076 1.00 0.00 C ATOM 1094 O TYR A 66 13.881 6.688 -4.619 1.00 0.00 O ATOM 1095 CB TYR A 66 13.248 9.884 -3.233 1.00 0.00 C ATOM 1096 CG TYR A 66 13.388 11.360 -3.570 1.00 0.00 C ATOM 1097 CD1 TYR A 66 14.619 11.873 -4.025 1.00 0.00 C ATOM 1098 CD2 TYR A 66 12.286 12.224 -3.430 1.00 0.00 C ATOM 1099 CE1 TYR A 66 14.739 13.235 -4.355 1.00 0.00 C ATOM 1100 CE2 TYR A 66 12.400 13.586 -3.740 1.00 0.00 C ATOM 1101 CZ TYR A 66 13.630 14.097 -4.205 1.00 0.00 C ATOM 1102 OH TYR A 66 13.729 15.404 -4.560 1.00 0.00 O ATOM 0 H TYR A 66 11.247 9.713 -4.837 1.00 0.00 H new ATOM 0 HA TYR A 66 14.093 9.101 -5.016 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.352 9.745 -2.628 1.00 0.00 H new ATOM 0 HB3 TYR A 66 14.097 9.581 -2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.473 11.219 -4.121 1.00 0.00 H new ATOM 0 HD2 TYR A 66 11.342 11.833 -3.080 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.678 13.621 -4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 66 11.550 14.242 -3.623 1.00 0.00 H new ATOM 0 HH TYR A 66 12.875 15.854 -4.393 1.00 0.00 H new ATOM 1112 N GLY A 67 12.218 7.081 -3.154 1.00 0.00 N ATOM 1113 CA GLY A 67 12.023 5.690 -2.747 1.00 0.00 C ATOM 1114 C GLY A 67 12.262 5.505 -1.259 1.00 0.00 C ATOM 1115 O GLY A 67 13.354 5.103 -0.859 1.00 0.00 O ATOM 0 H GLY A 67 11.605 7.733 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.009 5.376 -2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.702 5.047 -3.308 1.00 0.00 H new ATOM 1119 N GLU A 68 11.241 5.806 -0.455 1.00 0.00 N ATOM 1120 CA GLU A 68 11.207 6.002 1.000 1.00 0.00 C ATOM 1121 C GLU A 68 12.156 7.105 1.479 1.00 0.00 C ATOM 1122 O GLU A 68 11.756 7.960 2.261 1.00 0.00 O ATOM 1123 CB GLU A 68 11.398 4.675 1.767 1.00 0.00 C ATOM 1124 CG GLU A 68 11.235 4.777 3.303 1.00 0.00 C ATOM 1125 CD GLU A 68 9.821 5.117 3.810 1.00 0.00 C ATOM 1126 OE1 GLU A 68 8.957 5.545 3.021 1.00 0.00 O ATOM 1127 OE2 GLU A 68 9.556 4.900 5.019 1.00 0.00 O ATOM 0 H GLU A 68 10.310 5.933 -0.851 1.00 0.00 H new ATOM 0 HA GLU A 68 10.205 6.359 1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.680 3.947 1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.392 4.286 1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.540 3.828 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.924 5.536 3.672 1.00 0.00 H new ATOM 1134 N GLU A 69 13.393 7.144 0.996 1.00 0.00 N ATOM 1135 CA GLU A 69 14.441 8.044 1.431 1.00 0.00 C ATOM 1136 C GLU A 69 14.112 9.519 1.151 1.00 0.00 C ATOM 1137 O GLU A 69 14.639 10.409 1.816 1.00 0.00 O ATOM 1138 CB GLU A 69 15.722 7.594 0.719 1.00 0.00 C ATOM 1139 CG GLU A 69 16.951 7.972 1.535 1.00 0.00 C ATOM 1140 CD GLU A 69 18.234 7.625 0.795 1.00 0.00 C ATOM 1141 OE1 GLU A 69 18.412 6.445 0.426 1.00 0.00 O ATOM 1142 OE2 GLU A 69 19.089 8.522 0.609 1.00 0.00 O ATOM 0 H GLU A 69 13.701 6.516 0.254 1.00 0.00 H new ATOM 0 HA GLU A 69 14.558 7.993 2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.699 6.515 0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.778 8.055 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.931 9.040 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.929 7.451 2.492 1.00 0.00 H new ATOM 1149 N GLY A 70 13.202 9.790 0.211 1.00 0.00 N ATOM 1150 CA GLY A 70 12.702 11.132 -0.052 1.00 0.00 C ATOM 1151 C GLY A 70 11.630 11.550 0.950 1.00 0.00 C ATOM 1152 O GLY A 70 11.427 12.742 1.184 1.00 0.00 O ATOM 0 H GLY A 70 12.792 9.075 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.529 11.841 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.291 11.175 -1.061 1.00 0.00 H new ATOM 1156 N LEU A 71 10.891 10.575 1.493 1.00 0.00 N ATOM 1157 CA LEU A 71 9.894 10.787 2.533 1.00 0.00 C ATOM 1158 C LEU A 71 10.642 10.980 3.848 1.00 0.00 C ATOM 1159 O LEU A 71 10.429 11.969 4.544 1.00 0.00 O ATOM 1160 CB LEU A 71 8.905 9.603 2.595 1.00 0.00 C ATOM 1161 CG LEU A 71 7.801 9.769 3.661 1.00 0.00 C ATOM 1162 CD1 LEU A 71 6.841 10.915 3.315 1.00 0.00 C ATOM 1163 CD2 LEU A 71 6.997 8.470 3.776 1.00 0.00 C ATOM 0 H LEU A 71 10.976 9.598 1.211 1.00 0.00 H new ATOM 0 HA LEU A 71 9.293 11.671 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.438 9.480 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.461 8.688 2.800 1.00 0.00 H new ATOM 0 HG LEU A 71 8.290 10.004 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.079 10.998 4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.398 11.850 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.363 10.712 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.218 8.590 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.539 8.239 2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.661 7.656 4.067 1.00 0.00 H new ATOM 1175 N LYS A 72 11.511 10.037 4.205 1.00 0.00 N ATOM 1176 CA LYS A 72 12.370 10.112 5.365 1.00 0.00 C ATOM 1177 C LYS A 72 13.678 9.416 5.034 1.00 0.00 C ATOM 1178 O LYS A 72 13.700 8.189 4.928 1.00 0.00 O ATOM 1179 CB LYS A 72 11.647 9.491 6.564 1.00 0.00 C ATOM 1180 CG LYS A 72 12.417 9.622 7.888 1.00 0.00 C ATOM 1181 CD LYS A 72 12.887 11.040 8.229 1.00 0.00 C ATOM 1182 CE LYS A 72 11.719 12.028 8.327 1.00 0.00 C ATOM 1183 NZ LYS A 72 12.196 13.363 8.725 1.00 0.00 N ATOM 0 H LYS A 72 11.634 9.176 3.672 1.00 0.00 H new ATOM 0 HA LYS A 72 12.601 11.143 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.671 9.965 6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.468 8.435 6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.781 9.262 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.287 8.967 7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.428 11.024 9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.587 11.382 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.208 12.091 7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.990 11.666 9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.389 14.016 8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.663 13.303 9.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.874 13.714 8.019 1.00 0.00 H new ATOM 1197 N GLY A 73 14.757 10.162 4.826 1.00 0.00 N ATOM 1198 CA GLY A 73 16.075 9.559 4.718 1.00 0.00 C ATOM 1199 C GLY A 73 16.501 8.920 6.039 1.00 0.00 C ATOM 1200 O GLY A 73 15.875 9.132 7.083 1.00 0.00 O ATOM 0 H GLY A 73 14.743 11.177 4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.069 8.804 3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.802 10.317 4.427 1.00 0.00 H new ATOM 1204 N SER A 74 17.567 8.124 6.019 1.00 0.00 N ATOM 1205 CA SER A 74 18.326 7.669 7.179 1.00 0.00 C ATOM 1206 C SER A 74 19.732 7.317 6.684 1.00 0.00 C ATOM 1207 O SER A 74 19.882 6.882 5.539 1.00 0.00 O ATOM 1208 CB SER A 74 17.654 6.445 7.814 1.00 0.00 C ATOM 1209 OG SER A 74 16.403 6.795 8.395 1.00 0.00 O ATOM 0 H SER A 74 17.945 7.760 5.144 1.00 0.00 H new ATOM 0 HA SER A 74 18.370 8.445 7.943 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.505 5.674 7.058 1.00 0.00 H new ATOM 0 HB3 SER A 74 18.308 6.021 8.577 1.00 0.00 H new ATOM 0 HG SER A 74 16.156 7.702 8.118 1.00 0.00 H new ATOM 1215 N GLY A 75 20.748 7.491 7.534 1.00 0.00 N ATOM 1216 CA GLY A 75 22.142 7.271 7.164 1.00 0.00 C ATOM 1217 C GLY A 75 22.576 8.124 5.971 1.00 0.00 C ATOM 1218 O GLY A 75 23.361 7.648 5.153 1.00 0.00 O ATOM 0 H GLY A 75 20.622 7.790 8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 75 22.781 7.496 8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 75 22.289 6.218 6.925 1.00 0.00 H new ATOM 1222 N CYS A 76 22.035 9.338 5.841 1.00 0.00 N ATOM 1223 CA CYS A 76 22.181 10.208 4.686 1.00 0.00 C ATOM 1224 C CYS A 76 22.388 11.633 5.160 1.00 0.00 C ATOM 1225 O CYS A 76 21.951 11.965 6.284 1.00 0.00 O ATOM 1226 CB CYS A 76 20.923 10.124 3.813 1.00 0.00 C ATOM 1227 SG CYS A 76 19.454 10.542 4.797 1.00 0.00 S ATOM 0 H CYS A 76 21.459 9.753 6.573 1.00 0.00 H new ATOM 0 HA CYS A 76 23.042 9.894 4.096 1.00 0.00 H new ATOM 0 HB2 CYS A 76 21.011 10.807 2.968 1.00 0.00 H new ATOM 0 HB3 CYS A 76 20.822 9.119 3.402 1.00 0.00 H new ATOM 0 HG CYS A 76 19.801 11.298 5.796 1.00 0.00 H new TER 1233 CYS A 76