USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 565 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 14 ASN : amide:sc= -4.86 K(o=-7.1,f=-15!) USER MOD Set 1.2: A 65 MET CE :methyl -105:sc= -2.23 (180deg=-4.31!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.167 USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= -0.13 (180deg=-0.646) USER MOD Single : A 16 LYS NZ :NH3+ -135:sc= -1.97! (180deg=-4.78!) USER MOD Single : A 19 LYS NZ :NH3+ 136:sc= -1.58! (180deg=-3.51!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.521 X(o=-0.52,f=-0.49) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0586) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -173:sc= 0 (180deg=-0.0842) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0923 K(o=-0.092,f=-1.7) USER MOD Single : A 43 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.535) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -1.89 (180deg=-2.45) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -2.48! C(o=-3.9!,f=-2.5!) USER MOD Single : A 58 HIS : no HD1:sc= -0.936 K(o=-0.94,f=-2.3!) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.491 F(o=-1.4,f=-0.49) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.0235 F(o=-0.77,f=-0.023) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.556 -0.077 15.252 1.00 0.00 N ATOM 2 CA GLY A 1 19.312 1.060 15.744 1.00 0.00 C ATOM 3 C GLY A 1 18.504 2.343 15.732 1.00 0.00 C ATOM 4 O GLY A 1 18.370 2.990 14.693 1.00 0.00 O ATOM 0 H1 GLY A 1 19.152 -0.929 15.280 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.717 -0.221 15.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.256 0.103 14.273 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.649 0.856 16.760 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.205 1.191 15.132 1.00 0.00 H new ATOM 8 N SER A 2 17.963 2.710 16.889 1.00 0.00 N ATOM 9 CA SER A 2 17.160 3.922 17.006 1.00 0.00 C ATOM 10 C SER A 2 16.921 4.276 18.471 1.00 0.00 C ATOM 11 O SER A 2 16.788 3.395 19.320 1.00 0.00 O ATOM 12 CB SER A 2 15.820 3.742 16.289 1.00 0.00 C ATOM 13 OG SER A 2 15.260 4.994 15.933 1.00 0.00 O ATOM 0 H SER A 2 18.066 2.186 17.758 1.00 0.00 H new ATOM 0 HA SER A 2 17.709 4.739 16.537 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.961 3.136 15.394 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.128 3.201 16.935 1.00 0.00 H new ATOM 0 HG SER A 2 14.405 4.852 15.475 1.00 0.00 H new ATOM 19 N SER A 3 16.869 5.572 18.759 1.00 0.00 N ATOM 20 CA SER A 3 16.651 6.045 20.121 1.00 0.00 C ATOM 21 C SER A 3 15.277 6.695 20.257 1.00 0.00 C ATOM 22 O SER A 3 14.717 7.197 19.284 1.00 0.00 O ATOM 23 CB SER A 3 17.741 7.042 20.518 1.00 0.00 C ATOM 24 OG SER A 3 19.006 6.408 20.601 1.00 0.00 O ATOM 0 H SER A 3 16.975 6.314 18.067 1.00 0.00 H new ATOM 0 HA SER A 3 16.695 5.185 20.789 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.783 7.850 19.788 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.493 7.493 21.479 1.00 0.00 H new ATOM 0 HG SER A 3 19.686 7.067 20.855 1.00 0.00 H new ATOM 30 N GLY A 4 14.740 6.681 21.473 1.00 0.00 N ATOM 31 CA GLY A 4 13.437 7.271 21.716 1.00 0.00 C ATOM 32 C GLY A 4 12.719 6.631 22.888 1.00 0.00 C ATOM 33 O GLY A 4 12.272 5.488 22.801 1.00 0.00 O ATOM 0 H GLY A 4 15.185 6.271 22.295 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.554 8.338 21.905 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.824 7.171 20.820 1.00 0.00 H new ATOM 37 N SER A 5 12.611 7.369 23.988 1.00 0.00 N ATOM 38 CA SER A 5 11.948 6.865 25.185 1.00 0.00 C ATOM 39 C SER A 5 10.463 6.631 24.925 1.00 0.00 C ATOM 40 O SER A 5 9.905 5.610 25.327 1.00 0.00 O ATOM 41 CB SER A 5 12.126 7.847 26.344 1.00 0.00 C ATOM 42 OG SER A 5 13.496 8.135 26.563 1.00 0.00 O ATOM 0 H SER A 5 12.974 8.318 24.075 1.00 0.00 H new ATOM 0 HA SER A 5 12.407 5.913 25.451 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.587 8.770 26.129 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.690 7.427 27.251 1.00 0.00 H new ATOM 0 HG SER A 5 13.583 8.766 27.308 1.00 0.00 H new ATOM 48 N SER A 6 9.829 7.585 24.250 1.00 0.00 N ATOM 49 CA SER A 6 8.408 7.486 23.940 1.00 0.00 C ATOM 50 C SER A 6 8.013 6.040 23.656 1.00 0.00 C ATOM 51 O SER A 6 7.084 5.508 24.262 1.00 0.00 O ATOM 52 CB SER A 6 8.065 8.366 22.736 1.00 0.00 C ATOM 53 OG SER A 6 8.802 7.972 21.591 1.00 0.00 O ATOM 0 H SER A 6 10.277 8.435 23.908 1.00 0.00 H new ATOM 0 HA SER A 6 7.847 7.834 24.807 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.997 8.300 22.526 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.280 9.409 22.970 1.00 0.00 H new ATOM 0 HG SER A 6 8.564 8.548 20.835 1.00 0.00 H new ATOM 59 N GLY A 7 8.728 5.409 22.729 1.00 0.00 N ATOM 60 CA GLY A 7 8.438 4.030 22.380 1.00 0.00 C ATOM 61 C GLY A 7 9.091 3.612 21.077 1.00 0.00 C ATOM 62 O GLY A 7 9.875 4.364 20.500 1.00 0.00 O ATOM 0 H GLY A 7 9.502 5.828 22.214 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.782 3.376 23.181 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.359 3.898 22.301 1.00 0.00 H new ATOM 66 N GLU A 8 8.767 2.409 20.615 1.00 0.00 N ATOM 67 CA GLU A 8 9.331 1.892 19.373 1.00 0.00 C ATOM 68 C GLU A 8 8.226 1.457 18.414 1.00 0.00 C ATOM 69 O GLU A 8 7.909 0.274 18.288 1.00 0.00 O ATOM 70 CB GLU A 8 10.264 0.714 19.661 1.00 0.00 C ATOM 71 CG GLU A 8 11.460 1.083 20.523 1.00 0.00 C ATOM 72 CD GLU A 8 12.603 0.095 20.387 1.00 0.00 C ATOM 73 OE1 GLU A 8 12.332 -1.094 20.118 1.00 0.00 O ATOM 74 OE2 GLU A 8 13.769 0.513 20.549 1.00 0.00 O ATOM 0 H GLU A 8 8.118 1.775 21.081 1.00 0.00 H new ATOM 0 HA GLU A 8 9.903 2.692 18.903 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.698 -0.074 20.157 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.620 0.304 18.716 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.809 2.078 20.247 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.150 1.133 21.567 1.00 0.00 H new ATOM 81 N PRO A 9 7.624 2.435 17.722 1.00 0.00 N ATOM 82 CA PRO A 9 6.546 2.179 16.762 1.00 0.00 C ATOM 83 C PRO A 9 7.042 1.464 15.510 1.00 0.00 C ATOM 84 O PRO A 9 8.205 1.578 15.121 1.00 0.00 O ATOM 85 CB PRO A 9 6.041 3.581 16.413 1.00 0.00 C ATOM 86 CG PRO A 9 7.204 4.477 16.668 1.00 0.00 C ATOM 87 CD PRO A 9 7.951 3.868 17.822 1.00 0.00 C ATOM 0 HA PRO A 9 5.778 1.526 17.176 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.718 3.638 15.374 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.185 3.858 17.029 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.841 4.550 15.786 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.873 5.488 16.907 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.024 4.042 17.743 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.630 4.288 18.775 1.00 0.00 H new ATOM 95 N PRO A 10 6.142 0.710 14.862 1.00 0.00 N ATOM 96 CA PRO A 10 6.466 -0.038 13.643 1.00 0.00 C ATOM 97 C PRO A 10 6.704 0.878 12.448 1.00 0.00 C ATOM 98 O PRO A 10 6.062 1.921 12.314 1.00 0.00 O ATOM 99 CB PRO A 10 5.223 -0.902 13.416 1.00 0.00 C ATOM 100 CG PRO A 10 4.118 -0.159 14.085 1.00 0.00 C ATOM 101 CD PRO A 10 4.739 0.528 15.270 1.00 0.00 C ATOM 0 HA PRO A 10 7.387 -0.612 13.749 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.023 -1.036 12.353 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.348 -1.896 13.845 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.667 0.565 13.406 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.325 -0.838 14.399 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.255 1.482 15.481 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.658 -0.077 16.173 1.00 0.00 H new ATOM 109 N LYS A 11 7.629 0.483 11.580 1.00 0.00 N ATOM 110 CA LYS A 11 7.951 1.267 10.394 1.00 0.00 C ATOM 111 C LYS A 11 7.020 0.914 9.239 1.00 0.00 C ATOM 112 O LYS A 11 7.136 -0.156 8.640 1.00 0.00 O ATOM 113 CB LYS A 11 9.406 1.032 9.981 1.00 0.00 C ATOM 114 CG LYS A 11 10.408 1.345 11.079 1.00 0.00 C ATOM 115 CD LYS A 11 11.744 0.668 10.824 1.00 0.00 C ATOM 116 CE LYS A 11 12.493 0.405 12.121 1.00 0.00 C ATOM 117 NZ LYS A 11 11.762 -0.550 12.999 1.00 0.00 N ATOM 0 H LYS A 11 8.169 -0.377 11.676 1.00 0.00 H new ATOM 0 HA LYS A 11 7.815 2.321 10.638 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.525 -0.008 9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.631 1.646 9.109 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.552 2.423 11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.011 1.018 12.040 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.582 -0.273 10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.352 1.295 10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.482 0.007 11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.642 1.345 12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.440 -1.051 13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.085 -0.028 13.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.250 -1.239 12.412 1.00 0.00 H new ATOM 131 N LEU A 12 6.098 1.819 8.930 1.00 0.00 N ATOM 132 CA LEU A 12 5.148 1.603 7.844 1.00 0.00 C ATOM 133 C LEU A 12 4.673 2.931 7.264 1.00 0.00 C ATOM 134 O LEU A 12 4.590 3.935 7.972 1.00 0.00 O ATOM 135 CB LEU A 12 3.949 0.793 8.343 1.00 0.00 C ATOM 136 CG LEU A 12 3.012 1.511 9.315 1.00 0.00 C ATOM 137 CD1 LEU A 12 1.694 0.762 9.435 1.00 0.00 C ATOM 138 CD2 LEU A 12 3.670 1.660 10.679 1.00 0.00 C ATOM 0 H LEU A 12 5.988 2.709 9.416 1.00 0.00 H new ATOM 0 HA LEU A 12 5.654 1.044 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.367 0.473 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.322 -0.109 8.828 1.00 0.00 H new ATOM 0 HG LEU A 12 2.806 2.507 8.923 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.039 1.287 10.131 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.216 0.708 8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.881 -0.247 9.804 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.989 2.173 11.358 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.906 0.674 11.079 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.587 2.240 10.579 1.00 0.00 H new ATOM 150 N VAL A 13 4.359 2.929 5.973 1.00 0.00 N ATOM 151 CA VAL A 13 3.889 4.132 5.298 1.00 0.00 C ATOM 152 C VAL A 13 2.378 4.286 5.437 1.00 0.00 C ATOM 153 O VAL A 13 1.869 5.394 5.595 1.00 0.00 O ATOM 154 CB VAL A 13 4.256 4.117 3.802 1.00 0.00 C ATOM 155 CG1 VAL A 13 5.766 4.158 3.623 1.00 0.00 C ATOM 156 CG2 VAL A 13 3.662 2.894 3.120 1.00 0.00 C ATOM 0 H VAL A 13 4.422 2.107 5.373 1.00 0.00 H new ATOM 0 HA VAL A 13 4.384 4.977 5.778 1.00 0.00 H new ATOM 0 HB VAL A 13 3.834 5.006 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.007 4.147 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.161 5.068 4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.213 3.289 4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.931 2.900 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.052 1.991 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.577 2.914 3.218 1.00 0.00 H new ATOM 166 N ASN A 14 1.667 3.164 5.379 1.00 0.00 N ATOM 167 CA ASN A 14 0.214 3.174 5.498 1.00 0.00 C ATOM 168 C ASN A 14 -0.220 3.818 6.812 1.00 0.00 C ATOM 169 O ASN A 14 0.260 3.449 7.884 1.00 0.00 O ATOM 170 CB ASN A 14 -0.335 1.749 5.411 1.00 0.00 C ATOM 171 CG ASN A 14 -1.721 1.625 6.014 1.00 0.00 C ATOM 172 OD1 ASN A 14 -1.889 1.078 7.104 1.00 0.00 O ATOM 173 ND2 ASN A 14 -2.723 2.134 5.306 1.00 0.00 N ATOM 0 H ASN A 14 2.074 2.237 5.250 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.189 3.763 4.674 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.367 1.438 4.367 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.344 1.069 5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.678 2.080 5.661 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.538 2.579 4.407 1.00 0.00 H new ATOM 180 N ASP A 15 -1.129 4.782 6.720 1.00 0.00 N ATOM 181 CA ASP A 15 -1.629 5.476 7.901 1.00 0.00 C ATOM 182 C ASP A 15 -2.974 4.905 8.339 1.00 0.00 C ATOM 183 O ASP A 15 -3.131 4.458 9.475 1.00 0.00 O ATOM 184 CB ASP A 15 -1.765 6.974 7.619 1.00 0.00 C ATOM 185 CG ASP A 15 -2.540 7.255 6.347 1.00 0.00 C ATOM 186 OD1 ASP A 15 -2.039 6.909 5.256 1.00 0.00 O ATOM 187 OD2 ASP A 15 -3.649 7.821 6.441 1.00 0.00 O ATOM 0 H ASP A 15 -1.535 5.101 5.840 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.912 5.329 8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.265 7.455 8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.772 7.418 7.542 1.00 0.00 H new ATOM 192 N LYS A 16 -3.943 4.923 7.430 1.00 0.00 N ATOM 193 CA LYS A 16 -5.276 4.407 7.721 1.00 0.00 C ATOM 194 C LYS A 16 -5.625 3.250 6.791 1.00 0.00 C ATOM 195 O LYS A 16 -6.269 3.425 5.757 1.00 0.00 O ATOM 196 CB LYS A 16 -6.317 5.520 7.581 1.00 0.00 C ATOM 197 CG LYS A 16 -7.741 5.056 7.839 1.00 0.00 C ATOM 198 CD LYS A 16 -8.134 5.246 9.294 1.00 0.00 C ATOM 199 CE LYS A 16 -7.754 4.038 10.137 1.00 0.00 C ATOM 200 NZ LYS A 16 -6.398 4.185 10.736 1.00 0.00 N ATOM 0 H LYS A 16 -3.830 5.290 6.485 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.281 4.040 8.747 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.074 6.323 8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.256 5.939 6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.427 5.612 7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.836 4.004 7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.645 6.136 9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.209 5.415 9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.489 3.903 10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.783 3.140 9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.869 3.297 10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.889 4.956 10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.488 4.404 11.749 1.00 0.00 H new ATOM 214 N PRO A 17 -5.194 2.037 7.167 1.00 0.00 N ATOM 215 CA PRO A 17 -5.452 0.826 6.382 1.00 0.00 C ATOM 216 C PRO A 17 -6.921 0.419 6.410 1.00 0.00 C ATOM 217 O PRO A 17 -7.540 0.362 7.473 1.00 0.00 O ATOM 218 CB PRO A 17 -4.590 -0.235 7.072 1.00 0.00 C ATOM 219 CG PRO A 17 -4.439 0.252 8.472 1.00 0.00 C ATOM 220 CD PRO A 17 -4.421 1.754 8.388 1.00 0.00 C ATOM 0 HA PRO A 17 -5.216 0.967 5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.068 -1.214 7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.622 -0.338 6.582 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.262 -0.094 9.097 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.519 -0.125 8.919 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.876 2.211 9.267 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.404 2.140 8.318 1.00 0.00 H new ATOM 228 N HIS A 18 -7.474 0.137 5.234 1.00 0.00 N ATOM 229 CA HIS A 18 -8.872 -0.265 5.124 1.00 0.00 C ATOM 230 C HIS A 18 -9.239 -1.259 6.223 1.00 0.00 C ATOM 231 O HIS A 18 -8.398 -2.033 6.680 1.00 0.00 O ATOM 232 CB HIS A 18 -9.140 -0.883 3.752 1.00 0.00 C ATOM 233 CG HIS A 18 -9.010 0.091 2.621 1.00 0.00 C ATOM 234 ND1 HIS A 18 -9.942 1.074 2.363 1.00 0.00 N ATOM 235 CD2 HIS A 18 -8.048 0.231 1.679 1.00 0.00 C ATOM 236 CE1 HIS A 18 -9.560 1.775 1.311 1.00 0.00 C ATOM 237 NE2 HIS A 18 -8.414 1.284 0.877 1.00 0.00 N ATOM 0 H HIS A 18 -6.976 0.179 4.345 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.491 0.625 5.241 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.446 -1.708 3.592 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.145 -1.306 3.743 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.158 -0.373 1.577 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.094 2.608 0.879 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.886 1.630 0.076 1.00 0.00 H new ATOM 245 N LYS A 19 -10.500 -1.231 6.642 1.00 0.00 N ATOM 246 CA LYS A 19 -10.979 -2.129 7.686 1.00 0.00 C ATOM 247 C LYS A 19 -12.233 -2.869 7.233 1.00 0.00 C ATOM 248 O LYS A 19 -13.341 -2.561 7.673 1.00 0.00 O ATOM 249 CB LYS A 19 -11.272 -1.345 8.967 1.00 0.00 C ATOM 250 CG LYS A 19 -10.033 -0.742 9.607 1.00 0.00 C ATOM 251 CD LYS A 19 -9.422 -1.682 10.633 1.00 0.00 C ATOM 252 CE LYS A 19 -8.668 -2.822 9.965 1.00 0.00 C ATOM 253 NZ LYS A 19 -9.538 -4.011 9.748 1.00 0.00 N ATOM 0 H LYS A 19 -11.209 -0.596 6.274 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.198 -2.862 7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.979 -0.547 8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.757 -2.006 9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.297 -0.516 8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.293 0.202 10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.744 -1.125 11.280 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.208 -2.088 11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.271 -2.483 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.815 -3.104 10.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.376 -4.390 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.311 -4.741 10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.536 -3.734 9.845 1.00 0.00 H new ATOM 267 N PHE A 20 -12.052 -3.848 6.352 1.00 0.00 N ATOM 268 CA PHE A 20 -13.169 -4.632 5.840 1.00 0.00 C ATOM 269 C PHE A 20 -13.594 -5.696 6.848 1.00 0.00 C ATOM 270 O PHE A 20 -12.876 -5.981 7.807 1.00 0.00 O ATOM 271 CB PHE A 20 -12.791 -5.293 4.513 1.00 0.00 C ATOM 272 CG PHE A 20 -11.918 -4.434 3.643 1.00 0.00 C ATOM 273 CD1 PHE A 20 -12.464 -3.403 2.895 1.00 0.00 C ATOM 274 CD2 PHE A 20 -10.553 -4.658 3.573 1.00 0.00 C ATOM 275 CE1 PHE A 20 -11.664 -2.610 2.094 1.00 0.00 C ATOM 276 CE2 PHE A 20 -9.748 -3.868 2.774 1.00 0.00 C ATOM 277 CZ PHE A 20 -10.304 -2.844 2.033 1.00 0.00 C ATOM 0 H PHE A 20 -11.142 -4.117 5.978 1.00 0.00 H new ATOM 0 HA PHE A 20 -14.008 -3.957 5.675 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -12.276 -6.231 4.717 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -13.701 -5.542 3.968 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -13.527 -3.217 2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.113 -5.459 4.149 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -12.101 -1.809 1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.685 -4.052 2.729 1.00 0.00 H new ATOM 0 HZ PHE A 20 -9.677 -2.227 1.407 1.00 0.00 H new ATOM 287 N LYS A 21 -14.766 -6.281 6.624 1.00 0.00 N ATOM 288 CA LYS A 21 -15.288 -7.314 7.510 1.00 0.00 C ATOM 289 C LYS A 21 -16.165 -8.298 6.742 1.00 0.00 C ATOM 290 O LYS A 21 -16.960 -7.901 5.890 1.00 0.00 O ATOM 291 CB LYS A 21 -16.090 -6.681 8.649 1.00 0.00 C ATOM 292 CG LYS A 21 -16.108 -7.515 9.918 1.00 0.00 C ATOM 293 CD LYS A 21 -17.197 -8.574 9.874 1.00 0.00 C ATOM 294 CE LYS A 21 -18.539 -8.011 10.317 1.00 0.00 C ATOM 295 NZ LYS A 21 -18.702 -8.066 11.797 1.00 0.00 N ATOM 0 H LYS A 21 -15.373 -6.057 5.835 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.442 -7.859 7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.672 -5.700 8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.115 -6.521 8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.138 -7.994 10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.265 -6.866 10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.283 -8.968 8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.921 -9.409 10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.629 -6.978 9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.343 -8.573 9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.629 -7.673 12.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.642 -9.054 12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.950 -7.509 12.250 1.00 0.00 H new ATOM 309 N ASP A 22 -16.016 -9.582 7.050 1.00 0.00 N ATOM 310 CA ASP A 22 -16.796 -10.622 6.390 1.00 0.00 C ATOM 311 C ASP A 22 -18.290 -10.334 6.503 1.00 0.00 C ATOM 312 O ASP A 22 -18.897 -10.545 7.553 1.00 0.00 O ATOM 313 CB ASP A 22 -16.481 -11.989 6.998 1.00 0.00 C ATOM 314 CG ASP A 22 -14.993 -12.279 7.030 1.00 0.00 C ATOM 315 OD1 ASP A 22 -14.266 -11.570 7.756 1.00 0.00 O ATOM 316 OD2 ASP A 22 -14.556 -13.216 6.328 1.00 0.00 O ATOM 0 H ASP A 22 -15.362 -9.927 7.753 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.524 -10.631 5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.879 -12.033 8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.987 -12.765 6.423 1.00 0.00 H new ATOM 321 N HIS A 23 -18.878 -9.850 5.413 1.00 0.00 N ATOM 322 CA HIS A 23 -20.301 -9.532 5.389 1.00 0.00 C ATOM 323 C HIS A 23 -20.925 -9.930 4.055 1.00 0.00 C ATOM 324 O HIS A 23 -20.221 -10.128 3.064 1.00 0.00 O ATOM 325 CB HIS A 23 -20.516 -8.039 5.641 1.00 0.00 C ATOM 326 CG HIS A 23 -21.954 -7.665 5.832 1.00 0.00 C ATOM 327 ND1 HIS A 23 -22.657 -6.893 4.930 1.00 0.00 N ATOM 328 CD2 HIS A 23 -22.822 -7.963 6.826 1.00 0.00 C ATOM 329 CE1 HIS A 23 -23.894 -6.731 5.364 1.00 0.00 C ATOM 330 NE2 HIS A 23 -24.021 -7.371 6.512 1.00 0.00 N ATOM 0 H HIS A 23 -18.391 -9.670 4.535 1.00 0.00 H new ATOM 0 HA HIS A 23 -20.788 -10.100 6.181 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -19.952 -7.743 6.525 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -20.111 -7.475 4.801 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -22.611 -8.556 7.704 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -24.670 -6.170 4.865 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -24.871 -7.418 7.074 1.00 0.00 H new ATOM 338 N PHE A 24 -22.248 -10.045 4.036 1.00 0.00 N ATOM 339 CA PHE A 24 -22.966 -10.421 2.824 1.00 0.00 C ATOM 340 C PHE A 24 -23.658 -9.210 2.204 1.00 0.00 C ATOM 341 O PHE A 24 -24.329 -8.444 2.895 1.00 0.00 O ATOM 342 CB PHE A 24 -23.997 -11.509 3.133 1.00 0.00 C ATOM 343 CG PHE A 24 -23.412 -12.713 3.814 1.00 0.00 C ATOM 344 CD1 PHE A 24 -23.135 -12.691 5.172 1.00 0.00 C ATOM 345 CD2 PHE A 24 -23.138 -13.866 3.097 1.00 0.00 C ATOM 346 CE1 PHE A 24 -22.597 -13.797 5.802 1.00 0.00 C ATOM 347 CE2 PHE A 24 -22.600 -14.976 3.723 1.00 0.00 C ATOM 348 CZ PHE A 24 -22.328 -14.940 5.076 1.00 0.00 C ATOM 0 H PHE A 24 -22.845 -9.883 4.847 1.00 0.00 H new ATOM 0 HA PHE A 24 -22.242 -10.810 2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -24.779 -11.088 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -24.472 -11.822 2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -23.342 -11.799 5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -23.347 -13.899 2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.387 -13.767 6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.393 -15.870 3.154 1.00 0.00 H new ATOM 0 HZ PHE A 24 -21.905 -15.805 5.566 1.00 0.00 H new ATOM 358 N PHE A 25 -23.489 -9.045 0.897 1.00 0.00 N ATOM 359 CA PHE A 25 -24.096 -7.928 0.183 1.00 0.00 C ATOM 360 C PHE A 25 -25.412 -8.346 -0.466 1.00 0.00 C ATOM 361 O PHE A 25 -25.426 -8.926 -1.552 1.00 0.00 O ATOM 362 CB PHE A 25 -23.136 -7.395 -0.883 1.00 0.00 C ATOM 363 CG PHE A 25 -21.768 -7.076 -0.352 1.00 0.00 C ATOM 364 CD1 PHE A 25 -20.778 -8.045 -0.323 1.00 0.00 C ATOM 365 CD2 PHE A 25 -21.471 -5.807 0.119 1.00 0.00 C ATOM 366 CE1 PHE A 25 -19.518 -7.755 0.165 1.00 0.00 C ATOM 367 CE2 PHE A 25 -20.212 -5.511 0.607 1.00 0.00 C ATOM 368 CZ PHE A 25 -19.235 -6.487 0.631 1.00 0.00 C ATOM 0 H PHE A 25 -22.937 -9.670 0.310 1.00 0.00 H new ATOM 0 HA PHE A 25 -24.303 -7.138 0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -23.045 -8.133 -1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -23.563 -6.496 -1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -20.994 -9.039 -0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -22.232 -5.041 0.105 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -18.756 -8.520 0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -19.993 -4.517 0.969 1.00 0.00 H new ATOM 0 HZ PHE A 25 -18.251 -6.258 1.014 1.00 0.00 H new ATOM 378 N LYS A 26 -26.518 -8.049 0.208 1.00 0.00 N ATOM 379 CA LYS A 26 -27.840 -8.393 -0.300 1.00 0.00 C ATOM 380 C LYS A 26 -27.901 -8.227 -1.815 1.00 0.00 C ATOM 381 O LYS A 26 -28.469 -9.061 -2.520 1.00 0.00 O ATOM 382 CB LYS A 26 -28.907 -7.519 0.362 1.00 0.00 C ATOM 383 CG LYS A 26 -29.243 -7.941 1.782 1.00 0.00 C ATOM 384 CD LYS A 26 -30.346 -7.078 2.374 1.00 0.00 C ATOM 385 CE LYS A 26 -30.984 -7.742 3.585 1.00 0.00 C ATOM 386 NZ LYS A 26 -32.112 -8.633 3.198 1.00 0.00 N ATOM 0 H LYS A 26 -26.524 -7.570 1.109 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.034 -9.438 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -28.563 -6.485 0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.814 -7.548 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -29.554 -8.986 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -28.351 -7.870 2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -29.937 -6.110 2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -31.108 -6.890 1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -30.231 -8.321 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -31.345 -6.976 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -32.520 -9.067 4.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -32.842 -8.076 2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -31.763 -9.379 2.563 1.00 0.00 H new ATOM 400 N LYS A 27 -27.310 -7.144 -2.311 1.00 0.00 N ATOM 401 CA LYS A 27 -27.294 -6.869 -3.743 1.00 0.00 C ATOM 402 C LYS A 27 -25.905 -7.107 -4.327 1.00 0.00 C ATOM 403 O LYS A 27 -24.891 -7.020 -3.634 1.00 0.00 O ATOM 404 CB LYS A 27 -27.732 -5.428 -4.011 1.00 0.00 C ATOM 405 CG LYS A 27 -29.239 -5.239 -4.008 1.00 0.00 C ATOM 406 CD LYS A 27 -29.777 -5.070 -2.597 1.00 0.00 C ATOM 407 CE LYS A 27 -31.273 -4.797 -2.600 1.00 0.00 C ATOM 408 NZ LYS A 27 -32.049 -5.964 -3.103 1.00 0.00 N ATOM 0 H LYS A 27 -26.836 -6.443 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 27 -27.994 -7.551 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -27.291 -4.777 -3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -27.336 -5.111 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -29.498 -4.364 -4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -29.715 -6.099 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -29.572 -5.970 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -29.257 -4.248 -2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -31.599 -4.552 -1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -31.482 -3.927 -3.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -33.065 -5.791 -2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -31.856 -6.098 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -31.768 -6.819 -2.581 1.00 0.00 H new ATOM 422 N PRO A 28 -25.856 -7.412 -5.632 1.00 0.00 N ATOM 423 CA PRO A 28 -24.596 -7.666 -6.338 1.00 0.00 C ATOM 424 C PRO A 28 -23.758 -6.403 -6.501 1.00 0.00 C ATOM 425 O PRO A 28 -24.079 -5.533 -7.311 1.00 0.00 O ATOM 426 CB PRO A 28 -25.054 -8.185 -7.704 1.00 0.00 C ATOM 427 CG PRO A 28 -26.415 -7.609 -7.891 1.00 0.00 C ATOM 428 CD PRO A 28 -27.025 -7.532 -6.519 1.00 0.00 C ATOM 0 HA PRO A 28 -23.957 -8.362 -5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -24.377 -7.866 -8.496 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -25.079 -9.275 -7.726 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -26.361 -6.622 -8.350 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -27.016 -8.235 -8.551 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -27.692 -6.675 -6.423 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -27.613 -8.421 -6.290 1.00 0.00 H new ATOM 436 N LYS A 29 -22.682 -6.309 -5.728 1.00 0.00 N ATOM 437 CA LYS A 29 -21.795 -5.153 -5.788 1.00 0.00 C ATOM 438 C LYS A 29 -20.606 -5.425 -6.704 1.00 0.00 C ATOM 439 O LYS A 29 -20.380 -6.561 -7.123 1.00 0.00 O ATOM 440 CB LYS A 29 -21.300 -4.791 -4.386 1.00 0.00 C ATOM 441 CG LYS A 29 -22.347 -4.099 -3.530 1.00 0.00 C ATOM 442 CD LYS A 29 -22.596 -2.675 -3.997 1.00 0.00 C ATOM 443 CE LYS A 29 -22.998 -1.772 -2.841 1.00 0.00 C ATOM 444 NZ LYS A 29 -22.831 -0.331 -3.179 1.00 0.00 N ATOM 0 H LYS A 29 -22.403 -7.020 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 29 -22.360 -4.314 -6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -20.972 -5.699 -3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -20.428 -4.142 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -23.279 -4.663 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -22.020 -4.090 -2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -21.695 -2.283 -4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -23.381 -2.671 -4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -24.037 -1.964 -2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -22.394 -2.012 -1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.115 0.252 -2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -21.835 -0.142 -3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -23.426 -0.095 -3.999 1.00 0.00 H new ATOM 458 N PHE A 30 -19.849 -4.377 -7.010 1.00 0.00 N ATOM 459 CA PHE A 30 -18.682 -4.504 -7.876 1.00 0.00 C ATOM 460 C PHE A 30 -17.400 -4.192 -7.111 1.00 0.00 C ATOM 461 O PHE A 30 -17.357 -3.267 -6.299 1.00 0.00 O ATOM 462 CB PHE A 30 -18.811 -3.569 -9.081 1.00 0.00 C ATOM 463 CG PHE A 30 -19.724 -4.094 -10.152 1.00 0.00 C ATOM 464 CD1 PHE A 30 -21.099 -3.995 -10.018 1.00 0.00 C ATOM 465 CD2 PHE A 30 -19.207 -4.686 -11.293 1.00 0.00 C ATOM 466 CE1 PHE A 30 -21.942 -4.477 -11.002 1.00 0.00 C ATOM 467 CE2 PHE A 30 -20.044 -5.170 -12.280 1.00 0.00 C ATOM 468 CZ PHE A 30 -21.413 -5.065 -12.135 1.00 0.00 C ATOM 0 H PHE A 30 -20.022 -3.431 -6.672 1.00 0.00 H new ATOM 0 HA PHE A 30 -18.632 -5.534 -8.228 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -19.181 -2.601 -8.742 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -17.822 -3.401 -9.508 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.517 -3.536 -9.135 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -18.137 -4.770 -11.412 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -23.012 -4.394 -10.885 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -19.628 -5.630 -13.164 1.00 0.00 H new ATOM 0 HZ PHE A 30 -22.069 -5.442 -12.906 1.00 0.00 H new ATOM 478 N CYS A 31 -16.356 -4.970 -7.375 1.00 0.00 N ATOM 479 CA CYS A 31 -15.072 -4.780 -6.712 1.00 0.00 C ATOM 480 C CYS A 31 -14.363 -3.539 -7.246 1.00 0.00 C ATOM 481 O CYS A 31 -14.699 -3.031 -8.316 1.00 0.00 O ATOM 482 CB CYS A 31 -14.185 -6.011 -6.907 1.00 0.00 C ATOM 483 SG CYS A 31 -14.523 -7.364 -5.735 1.00 0.00 S ATOM 0 H CYS A 31 -16.374 -5.739 -8.045 1.00 0.00 H new ATOM 0 HA CYS A 31 -15.259 -4.641 -5.647 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.317 -6.383 -7.923 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.141 -5.713 -6.810 1.00 0.00 H new ATOM 488 N ASP A 32 -13.380 -3.056 -6.494 1.00 0.00 N ATOM 489 CA ASP A 32 -12.621 -1.876 -6.892 1.00 0.00 C ATOM 490 C ASP A 32 -11.244 -2.267 -7.420 1.00 0.00 C ATOM 491 O ASP A 32 -10.604 -1.501 -8.140 1.00 0.00 O ATOM 492 CB ASP A 32 -12.475 -0.916 -5.710 1.00 0.00 C ATOM 493 CG ASP A 32 -12.006 0.461 -6.138 1.00 0.00 C ATOM 494 OD1 ASP A 32 -12.850 1.257 -6.602 1.00 0.00 O ATOM 495 OD2 ASP A 32 -10.797 0.744 -6.009 1.00 0.00 O ATOM 0 H ASP A 32 -13.090 -3.464 -5.605 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.167 -1.375 -7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.433 -0.827 -5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.767 -1.332 -4.993 1.00 0.00 H new ATOM 500 N VAL A 33 -10.794 -3.463 -7.055 1.00 0.00 N ATOM 501 CA VAL A 33 -9.493 -3.956 -7.492 1.00 0.00 C ATOM 502 C VAL A 33 -9.626 -4.832 -8.732 1.00 0.00 C ATOM 503 O VAL A 33 -8.958 -4.604 -9.741 1.00 0.00 O ATOM 504 CB VAL A 33 -8.796 -4.761 -6.380 1.00 0.00 C ATOM 505 CG1 VAL A 33 -7.392 -5.159 -6.808 1.00 0.00 C ATOM 506 CG2 VAL A 33 -8.762 -3.963 -5.085 1.00 0.00 C ATOM 0 H VAL A 33 -11.311 -4.109 -6.458 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.887 -3.082 -7.732 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.368 -5.672 -6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.915 -5.727 -6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.446 -5.773 -7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.807 -4.263 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.266 -4.548 -4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.215 -3.034 -5.245 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.781 -3.735 -4.771 1.00 0.00 H new ATOM 516 N CYS A 34 -10.492 -5.836 -8.651 1.00 0.00 N ATOM 517 CA CYS A 34 -10.713 -6.748 -9.766 1.00 0.00 C ATOM 518 C CYS A 34 -11.824 -6.234 -10.678 1.00 0.00 C ATOM 519 O CYS A 34 -11.836 -6.511 -11.876 1.00 0.00 O ATOM 520 CB CYS A 34 -11.069 -8.144 -9.249 1.00 0.00 C ATOM 521 SG CYS A 34 -12.792 -8.308 -8.679 1.00 0.00 S ATOM 0 H CYS A 34 -11.053 -6.039 -7.824 1.00 0.00 H new ATOM 0 HA CYS A 34 -9.790 -6.806 -10.343 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.889 -8.870 -10.042 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.400 -8.397 -8.427 1.00 0.00 H new ATOM 526 N ALA A 35 -12.755 -5.482 -10.100 1.00 0.00 N ATOM 527 CA ALA A 35 -13.868 -4.926 -10.860 1.00 0.00 C ATOM 528 C ALA A 35 -14.765 -6.031 -11.407 1.00 0.00 C ATOM 529 O ALA A 35 -15.191 -5.982 -12.561 1.00 0.00 O ATOM 530 CB ALA A 35 -13.350 -4.054 -11.993 1.00 0.00 C ATOM 0 H ALA A 35 -12.761 -5.244 -9.108 1.00 0.00 H new ATOM 0 HA ALA A 35 -14.464 -4.310 -10.187 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.192 -3.646 -12.552 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.757 -3.237 -11.582 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.729 -4.653 -12.659 1.00 0.00 H new ATOM 536 N ARG A 36 -15.046 -7.027 -10.573 1.00 0.00 N ATOM 537 CA ARG A 36 -15.891 -8.145 -10.975 1.00 0.00 C ATOM 538 C ARG A 36 -17.075 -8.300 -10.027 1.00 0.00 C ATOM 539 O ARG A 36 -16.905 -8.355 -8.809 1.00 0.00 O ATOM 540 CB ARG A 36 -15.077 -9.440 -11.009 1.00 0.00 C ATOM 541 CG ARG A 36 -13.958 -9.430 -12.037 1.00 0.00 C ATOM 542 CD ARG A 36 -14.459 -9.854 -13.409 1.00 0.00 C ATOM 543 NE ARG A 36 -13.395 -9.838 -14.409 1.00 0.00 N ATOM 544 CZ ARG A 36 -13.618 -9.791 -15.718 1.00 0.00 C ATOM 545 NH1 ARG A 36 -14.859 -9.755 -16.182 1.00 0.00 N ATOM 546 NH2 ARG A 36 -12.597 -9.779 -16.566 1.00 0.00 N ATOM 0 H ARG A 36 -14.701 -7.082 -9.615 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.274 -7.938 -11.974 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.650 -9.617 -10.022 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.746 -10.274 -11.221 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.528 -8.430 -12.098 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.161 -10.101 -11.716 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.883 -10.856 -13.346 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.262 -9.188 -13.724 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.428 -9.864 -14.085 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.646 -9.763 -15.534 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.027 -9.719 -17.187 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.640 -9.806 -16.213 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.769 -9.743 -17.571 1.00 0.00 H new ATOM 560 N MET A 37 -18.276 -8.370 -10.593 1.00 0.00 N ATOM 561 CA MET A 37 -19.488 -8.519 -9.798 1.00 0.00 C ATOM 562 C MET A 37 -19.294 -9.562 -8.701 1.00 0.00 C ATOM 563 O MET A 37 -19.024 -10.729 -8.983 1.00 0.00 O ATOM 564 CB MET A 37 -20.665 -8.916 -10.691 1.00 0.00 C ATOM 565 CG MET A 37 -22.022 -8.588 -10.091 1.00 0.00 C ATOM 566 SD MET A 37 -23.364 -9.514 -10.860 1.00 0.00 S ATOM 567 CE MET A 37 -23.251 -8.934 -12.551 1.00 0.00 C ATOM 0 H MET A 37 -18.435 -8.326 -11.600 1.00 0.00 H new ATOM 0 HA MET A 37 -19.704 -7.559 -9.329 1.00 0.00 H new ATOM 0 HB2 MET A 37 -20.569 -8.408 -11.651 1.00 0.00 H new ATOM 0 HB3 MET A 37 -20.614 -9.986 -10.890 1.00 0.00 H new ATOM 0 HG2 MET A 37 -22.004 -8.802 -9.022 1.00 0.00 H new ATOM 0 HG3 MET A 37 -22.214 -7.520 -10.199 1.00 0.00 H new ATOM 0 HE1 MET A 37 -24.093 -9.320 -13.125 1.00 0.00 H new ATOM 0 HE2 MET A 37 -23.272 -7.844 -12.564 1.00 0.00 H new ATOM 0 HE3 MET A 37 -22.319 -9.284 -12.994 1.00 0.00 H new ATOM 577 N ILE A 38 -19.433 -9.132 -7.451 1.00 0.00 N ATOM 578 CA ILE A 38 -19.273 -10.029 -6.313 1.00 0.00 C ATOM 579 C ILE A 38 -20.541 -10.840 -6.071 1.00 0.00 C ATOM 580 O ILE A 38 -21.418 -10.430 -5.310 1.00 0.00 O ATOM 581 CB ILE A 38 -18.920 -9.253 -5.030 1.00 0.00 C ATOM 582 CG1 ILE A 38 -17.630 -8.454 -5.230 1.00 0.00 C ATOM 583 CG2 ILE A 38 -18.781 -10.209 -3.855 1.00 0.00 C ATOM 584 CD1 ILE A 38 -17.508 -7.264 -4.305 1.00 0.00 C ATOM 0 H ILE A 38 -19.656 -8.169 -7.201 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.453 -10.705 -6.556 1.00 0.00 H new ATOM 0 HB ILE A 38 -19.727 -8.554 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.776 -9.113 -5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.583 -8.108 -6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -18.531 -9.646 -2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -19.722 -10.738 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -17.990 -10.929 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -16.570 -6.744 -4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.343 -6.584 -4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -17.523 -7.605 -3.270 1.00 0.00 H new ATOM 596 N VAL A 39 -20.631 -11.996 -6.721 1.00 0.00 N ATOM 597 CA VAL A 39 -21.791 -12.867 -6.574 1.00 0.00 C ATOM 598 C VAL A 39 -21.367 -14.295 -6.247 1.00 0.00 C ATOM 599 O VAL A 39 -21.882 -15.254 -6.823 1.00 0.00 O ATOM 600 CB VAL A 39 -22.650 -12.879 -7.853 1.00 0.00 C ATOM 601 CG1 VAL A 39 -21.912 -13.576 -8.986 1.00 0.00 C ATOM 602 CG2 VAL A 39 -23.990 -13.548 -7.587 1.00 0.00 C ATOM 0 H VAL A 39 -19.915 -12.351 -7.354 1.00 0.00 H new ATOM 0 HA VAL A 39 -22.384 -12.469 -5.751 1.00 0.00 H new ATOM 0 HB VAL A 39 -22.837 -11.848 -8.154 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -22.534 -13.575 -9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -20.980 -13.049 -9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -21.692 -14.604 -8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -24.584 -13.548 -8.501 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -23.826 -14.575 -7.261 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -24.522 -13.001 -6.808 1.00 0.00 H new ATOM 612 N LEU A 40 -20.427 -14.429 -5.318 1.00 0.00 N ATOM 613 CA LEU A 40 -19.934 -15.740 -4.912 1.00 0.00 C ATOM 614 C LEU A 40 -20.211 -15.992 -3.433 1.00 0.00 C ATOM 615 O LEU A 40 -20.095 -15.088 -2.607 1.00 0.00 O ATOM 616 CB LEU A 40 -18.433 -15.850 -5.187 1.00 0.00 C ATOM 617 CG LEU A 40 -17.988 -15.539 -6.617 1.00 0.00 C ATOM 618 CD1 LEU A 40 -17.701 -14.054 -6.776 1.00 0.00 C ATOM 619 CD2 LEU A 40 -16.763 -16.363 -6.986 1.00 0.00 C ATOM 0 H LEU A 40 -19.991 -13.646 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.461 -16.495 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -17.909 -15.175 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -18.112 -16.862 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 40 -18.799 -15.806 -7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -17.386 -13.852 -7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -18.603 -13.483 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.908 -13.761 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.461 -16.129 -8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.947 -16.128 -6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.003 -17.424 -6.913 1.00 0.00 H new ATOM 631 N ASN A 41 -20.575 -17.228 -3.107 1.00 0.00 N ATOM 632 CA ASN A 41 -20.867 -17.600 -1.728 1.00 0.00 C ATOM 633 C ASN A 41 -22.032 -16.782 -1.179 1.00 0.00 C ATOM 634 O ASN A 41 -22.000 -16.328 -0.036 1.00 0.00 O ATOM 635 CB ASN A 41 -19.630 -17.399 -0.851 1.00 0.00 C ATOM 636 CG ASN A 41 -18.507 -18.354 -1.207 1.00 0.00 C ATOM 637 OD1 ASN A 41 -18.599 -19.557 -0.960 1.00 0.00 O ATOM 638 ND2 ASN A 41 -17.439 -17.821 -1.789 1.00 0.00 N ATOM 0 H ASN A 41 -20.675 -17.989 -3.779 1.00 0.00 H new ATOM 0 HA ASN A 41 -21.147 -18.653 -1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.277 -16.373 -0.955 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -19.903 -17.538 0.195 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -16.651 -18.414 -2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -17.406 -16.819 -1.975 1.00 0.00 H new ATOM 645 N ASN A 42 -23.060 -16.600 -2.002 1.00 0.00 N ATOM 646 CA ASN A 42 -24.235 -15.837 -1.599 1.00 0.00 C ATOM 647 C ASN A 42 -23.900 -14.355 -1.458 1.00 0.00 C ATOM 648 O ASN A 42 -24.269 -13.714 -0.474 1.00 0.00 O ATOM 649 CB ASN A 42 -24.789 -16.374 -0.277 1.00 0.00 C ATOM 650 CG ASN A 42 -26.205 -15.902 -0.009 1.00 0.00 C ATOM 651 OD1 ASN A 42 -26.767 -15.122 -0.778 1.00 0.00 O ATOM 652 ND2 ASN A 42 -26.789 -16.374 1.086 1.00 0.00 N ATOM 0 H ASN A 42 -23.103 -16.970 -2.951 1.00 0.00 H new ATOM 0 HA ASN A 42 -24.993 -15.948 -2.375 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -24.769 -17.464 -0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -24.142 -16.056 0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -27.741 -16.092 1.318 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -26.285 -17.019 1.695 1.00 0.00 H new ATOM 659 N LYS A 43 -23.199 -13.816 -2.450 1.00 0.00 N ATOM 660 CA LYS A 43 -22.815 -12.410 -2.440 1.00 0.00 C ATOM 661 C LYS A 43 -21.999 -12.078 -1.195 1.00 0.00 C ATOM 662 O LYS A 43 -22.139 -10.999 -0.618 1.00 0.00 O ATOM 663 CB LYS A 43 -24.059 -11.520 -2.500 1.00 0.00 C ATOM 664 CG LYS A 43 -24.862 -11.682 -3.779 1.00 0.00 C ATOM 665 CD LYS A 43 -26.024 -10.705 -3.835 1.00 0.00 C ATOM 666 CE LYS A 43 -27.194 -11.275 -4.623 1.00 0.00 C ATOM 667 NZ LYS A 43 -26.868 -11.427 -6.068 1.00 0.00 N ATOM 0 H LYS A 43 -22.885 -14.333 -3.272 1.00 0.00 H new ATOM 0 HA LYS A 43 -22.198 -12.221 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.699 -11.747 -1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.755 -10.478 -2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -24.212 -11.526 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -25.240 -12.702 -3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -26.348 -10.465 -2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -25.695 -9.772 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -27.472 -12.244 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -28.059 -10.621 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.720 -11.249 -6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -26.128 -10.745 -6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.527 -12.393 -6.247 1.00 0.00 H new ATOM 681 N PHE A 44 -21.145 -13.010 -0.786 1.00 0.00 N ATOM 682 CA PHE A 44 -20.306 -12.816 0.391 1.00 0.00 C ATOM 683 C PHE A 44 -18.914 -12.334 -0.008 1.00 0.00 C ATOM 684 O PHE A 44 -18.342 -12.799 -0.992 1.00 0.00 O ATOM 685 CB PHE A 44 -20.198 -14.118 1.187 1.00 0.00 C ATOM 686 CG PHE A 44 -19.103 -14.103 2.215 1.00 0.00 C ATOM 687 CD1 PHE A 44 -17.796 -14.393 1.858 1.00 0.00 C ATOM 688 CD2 PHE A 44 -19.381 -13.799 3.538 1.00 0.00 C ATOM 689 CE1 PHE A 44 -16.787 -14.380 2.802 1.00 0.00 C ATOM 690 CE2 PHE A 44 -18.375 -13.785 4.486 1.00 0.00 C ATOM 691 CZ PHE A 44 -17.076 -14.075 4.117 1.00 0.00 C ATOM 0 H PHE A 44 -21.015 -13.908 -1.252 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.771 -12.054 1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -21.149 -14.311 1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -20.026 -14.944 0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -17.563 -14.632 0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -20.395 -13.570 3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.772 -14.608 2.511 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -18.605 -13.548 5.514 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.288 -14.063 4.856 1.00 0.00 H new ATOM 701 N GLY A 45 -18.376 -11.395 0.765 1.00 0.00 N ATOM 702 CA GLY A 45 -17.056 -10.864 0.477 1.00 0.00 C ATOM 703 C GLY A 45 -16.506 -10.030 1.617 1.00 0.00 C ATOM 704 O GLY A 45 -16.495 -10.468 2.768 1.00 0.00 O ATOM 0 H GLY A 45 -18.830 -10.993 1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -16.373 -11.688 0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.102 -10.255 -0.426 1.00 0.00 H new ATOM 708 N LEU A 46 -16.046 -8.826 1.298 1.00 0.00 N ATOM 709 CA LEU A 46 -15.489 -7.928 2.304 1.00 0.00 C ATOM 710 C LEU A 46 -15.986 -6.501 2.095 1.00 0.00 C ATOM 711 O LEU A 46 -15.861 -5.943 1.005 1.00 0.00 O ATOM 712 CB LEU A 46 -13.960 -7.960 2.255 1.00 0.00 C ATOM 713 CG LEU A 46 -13.306 -9.301 2.591 1.00 0.00 C ATOM 714 CD1 LEU A 46 -11.815 -9.256 2.296 1.00 0.00 C ATOM 715 CD2 LEU A 46 -13.553 -9.664 4.048 1.00 0.00 C ATOM 0 H LEU A 46 -16.047 -8.448 0.350 1.00 0.00 H new ATOM 0 HA LEU A 46 -15.822 -8.269 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -13.642 -7.664 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.578 -7.209 2.947 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.756 -10.071 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.366 -10.219 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.660 -9.042 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.349 -8.475 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -13.081 -10.621 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.130 -8.893 4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.626 -9.739 4.228 1.00 0.00 H new ATOM 727 N ARG A 47 -16.547 -5.915 3.148 1.00 0.00 N ATOM 728 CA ARG A 47 -17.062 -4.553 3.080 1.00 0.00 C ATOM 729 C ARG A 47 -16.346 -3.651 4.082 1.00 0.00 C ATOM 730 O ARG A 47 -16.194 -4.003 5.252 1.00 0.00 O ATOM 731 CB ARG A 47 -18.567 -4.539 3.351 1.00 0.00 C ATOM 732 CG ARG A 47 -19.189 -3.155 3.265 1.00 0.00 C ATOM 733 CD ARG A 47 -20.602 -3.143 3.826 1.00 0.00 C ATOM 734 NE ARG A 47 -21.193 -1.808 3.795 1.00 0.00 N ATOM 735 CZ ARG A 47 -22.493 -1.576 3.935 1.00 0.00 C ATOM 736 NH1 ARG A 47 -23.334 -2.585 4.116 1.00 0.00 N ATOM 737 NH2 ARG A 47 -22.955 -0.333 3.895 1.00 0.00 N ATOM 0 H ARG A 47 -16.656 -6.362 4.058 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.877 -4.172 2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.062 -5.196 2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.753 -4.950 4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.572 -2.443 3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.206 -2.827 2.226 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -21.225 -3.829 3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.587 -3.509 4.853 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.573 -1.010 3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.983 -3.542 4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -24.332 -2.404 4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.311 0.446 3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.954 -0.156 4.003 1.00 0.00 H new ATOM 751 N CYS A 48 -15.908 -2.487 3.614 1.00 0.00 N ATOM 752 CA CYS A 48 -15.207 -1.534 4.467 1.00 0.00 C ATOM 753 C CYS A 48 -16.196 -0.656 5.228 1.00 0.00 C ATOM 754 O CYS A 48 -17.184 -0.183 4.666 1.00 0.00 O ATOM 755 CB CYS A 48 -14.272 -0.660 3.630 1.00 0.00 C ATOM 756 SG CYS A 48 -12.821 -0.040 4.540 1.00 0.00 S ATOM 0 H CYS A 48 -16.026 -2.181 2.648 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.617 -2.097 5.190 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -13.929 -1.234 2.769 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.835 0.189 3.243 1.00 0.00 H new ATOM 761 N LYS A 49 -15.923 -0.442 6.511 1.00 0.00 N ATOM 762 CA LYS A 49 -16.786 0.380 7.350 1.00 0.00 C ATOM 763 C LYS A 49 -16.354 1.842 7.308 1.00 0.00 C ATOM 764 O LYS A 49 -16.762 2.644 8.147 1.00 0.00 O ATOM 765 CB LYS A 49 -16.763 -0.128 8.794 1.00 0.00 C ATOM 766 CG LYS A 49 -17.370 -1.511 8.961 1.00 0.00 C ATOM 767 CD LYS A 49 -17.674 -1.813 10.419 1.00 0.00 C ATOM 768 CE LYS A 49 -17.751 -3.311 10.673 1.00 0.00 C ATOM 769 NZ LYS A 49 -16.459 -3.990 10.379 1.00 0.00 N ATOM 0 H LYS A 49 -15.110 -0.827 6.992 1.00 0.00 H new ATOM 0 HA LYS A 49 -17.802 0.308 6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.732 -0.148 9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -17.303 0.576 9.427 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.287 -1.580 8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.683 -2.261 8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.902 -1.375 11.051 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.618 -1.346 10.699 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.027 -3.489 11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.538 -3.744 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.471 -4.949 10.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.324 -4.048 9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.678 -3.448 10.801 1.00 0.00 H new ATOM 783 N ASN A 50 -15.526 2.182 6.325 1.00 0.00 N ATOM 784 CA ASN A 50 -15.039 3.548 6.173 1.00 0.00 C ATOM 785 C ASN A 50 -15.369 4.092 4.787 1.00 0.00 C ATOM 786 O ASN A 50 -16.161 5.024 4.645 1.00 0.00 O ATOM 787 CB ASN A 50 -13.529 3.602 6.409 1.00 0.00 C ATOM 788 CG ASN A 50 -13.174 3.618 7.884 1.00 0.00 C ATOM 789 OD1 ASN A 50 -12.781 4.650 8.428 1.00 0.00 O ATOM 790 ND2 ASN A 50 -13.311 2.470 8.537 1.00 0.00 N ATOM 0 H ASN A 50 -15.178 1.530 5.622 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.538 4.170 6.916 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.059 2.741 5.934 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.121 4.492 5.930 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.087 2.419 9.531 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.640 1.639 8.045 1.00 0.00 H new ATOM 797 N CYS A 51 -14.755 3.504 3.765 1.00 0.00 N ATOM 798 CA CYS A 51 -14.982 3.928 2.389 1.00 0.00 C ATOM 799 C CYS A 51 -16.206 3.233 1.800 1.00 0.00 C ATOM 800 O CYS A 51 -16.700 3.613 0.739 1.00 0.00 O ATOM 801 CB CYS A 51 -13.751 3.630 1.532 1.00 0.00 C ATOM 802 SG CYS A 51 -13.209 1.891 1.588 1.00 0.00 S ATOM 0 H CYS A 51 -14.096 2.732 3.865 1.00 0.00 H new ATOM 0 HA CYS A 51 -15.163 5.003 2.392 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -13.968 3.899 0.498 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -12.930 4.266 1.861 1.00 0.00 H new ATOM 807 N LYS A 52 -16.692 2.211 2.497 1.00 0.00 N ATOM 808 CA LYS A 52 -17.858 1.462 2.046 1.00 0.00 C ATOM 809 C LYS A 52 -17.593 0.801 0.697 1.00 0.00 C ATOM 810 O LYS A 52 -18.381 0.938 -0.239 1.00 0.00 O ATOM 811 CB LYS A 52 -19.074 2.385 1.943 1.00 0.00 C ATOM 812 CG LYS A 52 -19.807 2.575 3.260 1.00 0.00 C ATOM 813 CD LYS A 52 -19.230 3.733 4.057 1.00 0.00 C ATOM 814 CE LYS A 52 -19.825 3.799 5.455 1.00 0.00 C ATOM 815 NZ LYS A 52 -19.535 5.099 6.121 1.00 0.00 N ATOM 0 H LYS A 52 -16.295 1.883 3.377 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.062 0.682 2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -18.751 3.358 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -19.767 1.978 1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -20.864 2.756 3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -19.743 1.660 3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.148 3.625 4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.424 4.669 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -20.904 3.653 5.398 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.425 2.985 6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.957 5.104 7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.506 5.227 6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.939 5.875 5.559 1.00 0.00 H new ATOM 829 N THR A 53 -16.478 0.082 0.604 1.00 0.00 N ATOM 830 CA THR A 53 -16.109 -0.600 -0.630 1.00 0.00 C ATOM 831 C THR A 53 -16.260 -2.110 -0.489 1.00 0.00 C ATOM 832 O THR A 53 -16.244 -2.645 0.619 1.00 0.00 O ATOM 833 CB THR A 53 -14.660 -0.276 -1.039 1.00 0.00 C ATOM 834 OG1 THR A 53 -14.485 -0.503 -2.442 1.00 0.00 O ATOM 835 CG2 THR A 53 -13.673 -1.128 -0.255 1.00 0.00 C ATOM 0 H THR A 53 -15.815 -0.043 1.369 1.00 0.00 H new ATOM 0 HA THR A 53 -16.786 -0.241 -1.405 1.00 0.00 H new ATOM 0 HB THR A 53 -14.468 0.773 -0.814 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.562 -0.293 -2.695 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.656 -0.881 -0.561 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.789 -0.931 0.811 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.866 -2.183 -0.452 1.00 0.00 H new ATOM 843 N ASN A 54 -16.407 -2.793 -1.620 1.00 0.00 N ATOM 844 CA ASN A 54 -16.561 -4.243 -1.622 1.00 0.00 C ATOM 845 C ASN A 54 -15.412 -4.911 -2.372 1.00 0.00 C ATOM 846 O ASN A 54 -15.108 -4.552 -3.509 1.00 0.00 O ATOM 847 CB ASN A 54 -17.896 -4.635 -2.259 1.00 0.00 C ATOM 848 CG ASN A 54 -18.961 -3.572 -2.068 1.00 0.00 C ATOM 849 OD1 ASN A 54 -19.141 -2.727 -3.076 1.00 0.00 O flip ATOM 850 ND2 ASN A 54 -19.615 -3.513 -1.026 1.00 0.00 N flip ATOM 0 H ASN A 54 -16.423 -2.366 -2.546 1.00 0.00 H new ATOM 0 HA ASN A 54 -16.545 -4.586 -0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -17.749 -4.811 -3.325 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -18.241 -5.573 -1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.443 -4.184 -0.277 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.329 -2.793 -0.912 1.00 0.00 H new ATOM 857 N ILE A 55 -14.778 -5.884 -1.726 1.00 0.00 N ATOM 858 CA ILE A 55 -13.665 -6.603 -2.332 1.00 0.00 C ATOM 859 C ILE A 55 -13.677 -8.075 -1.932 1.00 0.00 C ATOM 860 O ILE A 55 -14.036 -8.420 -0.806 1.00 0.00 O ATOM 861 CB ILE A 55 -12.312 -5.986 -1.932 1.00 0.00 C ATOM 862 CG1 ILE A 55 -12.131 -6.041 -0.413 1.00 0.00 C ATOM 863 CG2 ILE A 55 -12.215 -4.552 -2.431 1.00 0.00 C ATOM 864 CD1 ILE A 55 -10.752 -5.620 0.046 1.00 0.00 C ATOM 0 H ILE A 55 -15.016 -6.192 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 55 -13.788 -6.521 -3.412 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.514 -6.566 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.874 -5.397 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.326 -7.057 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.253 -4.130 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.304 -4.538 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.018 -3.959 -1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.695 -5.683 1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.005 -6.279 -0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.562 -4.594 -0.268 1.00 0.00 H new ATOM 876 N HIS A 56 -13.282 -8.939 -2.862 1.00 0.00 N ATOM 877 CA HIS A 56 -13.245 -10.374 -2.606 1.00 0.00 C ATOM 878 C HIS A 56 -12.185 -10.713 -1.562 1.00 0.00 C ATOM 879 O HIS A 56 -11.265 -9.932 -1.323 1.00 0.00 O ATOM 880 CB HIS A 56 -12.965 -11.138 -3.900 1.00 0.00 C ATOM 881 CG HIS A 56 -14.146 -11.214 -4.818 1.00 0.00 C ATOM 882 ND1 HIS A 56 -14.149 -10.676 -6.088 1.00 0.00 N ATOM 883 CD2 HIS A 56 -15.368 -11.771 -4.645 1.00 0.00 C ATOM 884 CE1 HIS A 56 -15.321 -10.897 -6.655 1.00 0.00 C ATOM 885 NE2 HIS A 56 -16.079 -11.561 -5.801 1.00 0.00 N ATOM 0 H HIS A 56 -12.983 -8.670 -3.799 1.00 0.00 H new ATOM 0 HA HIS A 56 -14.219 -10.674 -2.220 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.138 -10.658 -4.424 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.642 -12.149 -3.653 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -15.718 -12.285 -3.762 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -15.611 -10.587 -7.648 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -17.037 -11.868 -5.972 1.00 0.00 H new ATOM 893 N GLU A 57 -12.323 -11.881 -0.943 1.00 0.00 N ATOM 894 CA GLU A 57 -11.378 -12.321 0.076 1.00 0.00 C ATOM 895 C GLU A 57 -9.946 -12.269 -0.451 1.00 0.00 C ATOM 896 O GLU A 57 -8.987 -12.322 0.320 1.00 0.00 O ATOM 897 CB GLU A 57 -11.712 -13.743 0.534 1.00 0.00 C ATOM 898 CG GLU A 57 -11.144 -14.091 1.900 1.00 0.00 C ATOM 899 CD GLU A 57 -10.920 -15.581 2.075 1.00 0.00 C ATOM 900 OE1 GLU A 57 -11.874 -16.280 2.477 1.00 0.00 O ATOM 901 OE2 GLU A 57 -9.792 -16.046 1.812 1.00 0.00 O ATOM 0 H GLU A 57 -13.080 -12.539 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.460 -11.644 0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.795 -13.863 0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.330 -14.452 -0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.199 -13.566 2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.825 -13.736 2.674 1.00 0.00 H new ATOM 908 N HIS A 58 -9.810 -12.164 -1.769 1.00 0.00 N ATOM 909 CA HIS A 58 -8.497 -12.104 -2.400 1.00 0.00 C ATOM 910 C HIS A 58 -8.186 -10.688 -2.874 1.00 0.00 C ATOM 911 O HIS A 58 -7.022 -10.307 -3.006 1.00 0.00 O ATOM 912 CB HIS A 58 -8.429 -13.076 -3.578 1.00 0.00 C ATOM 913 CG HIS A 58 -9.013 -14.422 -3.279 1.00 0.00 C ATOM 914 ND1 HIS A 58 -10.335 -14.608 -2.931 1.00 0.00 N ATOM 915 CD2 HIS A 58 -8.449 -15.652 -3.279 1.00 0.00 C ATOM 916 CE1 HIS A 58 -10.557 -15.894 -2.729 1.00 0.00 C ATOM 917 NE2 HIS A 58 -9.429 -16.550 -2.934 1.00 0.00 N ATOM 0 H HIS A 58 -10.593 -12.119 -2.421 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.751 -12.391 -1.659 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.956 -12.641 -4.428 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -7.388 -13.199 -3.877 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.419 -15.884 -3.508 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -11.501 -16.335 -2.444 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.306 -17.559 -2.850 1.00 0.00 H new ATOM 925 N CYS A 59 -9.234 -9.912 -3.130 1.00 0.00 N ATOM 926 CA CYS A 59 -9.074 -8.538 -3.592 1.00 0.00 C ATOM 927 C CYS A 59 -8.669 -7.621 -2.441 1.00 0.00 C ATOM 928 O CYS A 59 -8.572 -6.406 -2.608 1.00 0.00 O ATOM 929 CB CYS A 59 -10.373 -8.036 -4.225 1.00 0.00 C ATOM 930 SG CYS A 59 -10.826 -8.891 -5.768 1.00 0.00 S ATOM 0 H CYS A 59 -10.203 -10.211 -3.025 1.00 0.00 H new ATOM 0 HA CYS A 59 -8.283 -8.523 -4.342 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.184 -8.153 -3.506 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.277 -6.969 -4.428 1.00 0.00 H new ATOM 935 N GLN A 60 -8.435 -8.214 -1.274 1.00 0.00 N ATOM 936 CA GLN A 60 -8.041 -7.450 -0.096 1.00 0.00 C ATOM 937 C GLN A 60 -6.523 -7.420 0.051 1.00 0.00 C ATOM 938 O GLN A 60 -5.950 -6.412 0.466 1.00 0.00 O ATOM 939 CB GLN A 60 -8.674 -8.050 1.161 1.00 0.00 C ATOM 940 CG GLN A 60 -7.931 -9.263 1.698 1.00 0.00 C ATOM 941 CD GLN A 60 -8.303 -9.588 3.131 1.00 0.00 C ATOM 942 OE1 GLN A 60 -9.185 -10.564 3.307 1.00 0.00 O flip ATOM 943 NE2 GLN A 60 -7.803 -8.967 4.070 1.00 0.00 N flip ATOM 0 H GLN A 60 -8.511 -9.219 -1.119 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.396 -6.427 -0.222 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.714 -7.286 1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.703 -8.334 0.939 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.146 -10.125 1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.858 -9.083 1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.129 -8.224 3.888 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.063 -9.196 5.029 1.00 0.00 H new ATOM 952 N SER A 61 -5.878 -8.529 -0.293 1.00 0.00 N ATOM 953 CA SER A 61 -4.426 -8.631 -0.196 1.00 0.00 C ATOM 954 C SER A 61 -3.753 -7.418 -0.832 1.00 0.00 C ATOM 955 O SER A 61 -2.692 -6.979 -0.389 1.00 0.00 O ATOM 956 CB SER A 61 -3.937 -9.913 -0.872 1.00 0.00 C ATOM 957 OG SER A 61 -4.454 -11.061 -0.222 1.00 0.00 O ATOM 0 H SER A 61 -6.337 -9.370 -0.642 1.00 0.00 H new ATOM 0 HA SER A 61 -4.158 -8.661 0.860 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.242 -9.915 -1.918 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.848 -9.943 -0.858 1.00 0.00 H new ATOM 0 HG SER A 61 -4.128 -11.867 -0.674 1.00 0.00 H new ATOM 963 N TYR A 62 -4.378 -6.882 -1.875 1.00 0.00 N ATOM 964 CA TYR A 62 -3.839 -5.722 -2.575 1.00 0.00 C ATOM 965 C TYR A 62 -4.211 -4.430 -1.854 1.00 0.00 C ATOM 966 O TYR A 62 -3.487 -3.437 -1.921 1.00 0.00 O ATOM 967 CB TYR A 62 -4.356 -5.683 -4.014 1.00 0.00 C ATOM 968 CG TYR A 62 -4.520 -7.052 -4.635 1.00 0.00 C ATOM 969 CD1 TYR A 62 -3.414 -7.806 -5.005 1.00 0.00 C ATOM 970 CD2 TYR A 62 -5.783 -7.591 -4.852 1.00 0.00 C ATOM 971 CE1 TYR A 62 -3.559 -9.056 -5.574 1.00 0.00 C ATOM 972 CE2 TYR A 62 -5.937 -8.841 -5.419 1.00 0.00 C ATOM 973 CZ TYR A 62 -4.823 -9.570 -5.779 1.00 0.00 C ATOM 974 OH TYR A 62 -4.972 -10.816 -6.344 1.00 0.00 O ATOM 0 H TYR A 62 -5.258 -7.232 -2.254 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.753 -5.810 -2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.316 -5.167 -4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -3.668 -5.097 -4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.423 -7.408 -4.845 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.658 -7.023 -4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.688 -9.628 -5.857 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.925 -9.246 -5.580 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.926 -11.030 -6.418 1.00 0.00 H new ATOM 984 N VAL A 63 -5.347 -4.451 -1.163 1.00 0.00 N ATOM 985 CA VAL A 63 -5.816 -3.283 -0.428 1.00 0.00 C ATOM 986 C VAL A 63 -5.877 -3.564 1.070 1.00 0.00 C ATOM 987 O VAL A 63 -6.787 -3.107 1.760 1.00 0.00 O ATOM 988 CB VAL A 63 -7.208 -2.836 -0.912 1.00 0.00 C ATOM 989 CG1 VAL A 63 -7.205 -2.619 -2.417 1.00 0.00 C ATOM 990 CG2 VAL A 63 -8.263 -3.858 -0.515 1.00 0.00 C ATOM 0 H VAL A 63 -5.959 -5.264 -1.097 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.100 -2.483 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.454 -1.888 -0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.197 -2.304 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.478 -1.848 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.938 -3.549 -2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.241 -3.526 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.024 -4.821 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.281 -3.959 0.570 1.00 0.00 H new ATOM 1000 N GLU A 64 -4.901 -4.320 1.565 1.00 0.00 N ATOM 1001 CA GLU A 64 -4.845 -4.662 2.981 1.00 0.00 C ATOM 1002 C GLU A 64 -4.138 -3.569 3.777 1.00 0.00 C ATOM 1003 O GLU A 64 -4.388 -3.395 4.970 1.00 0.00 O ATOM 1004 CB GLU A 64 -4.126 -5.998 3.177 1.00 0.00 C ATOM 1005 CG GLU A 64 -2.677 -5.982 2.718 1.00 0.00 C ATOM 1006 CD GLU A 64 -1.798 -6.916 3.528 1.00 0.00 C ATOM 1007 OE1 GLU A 64 -1.693 -6.714 4.756 1.00 0.00 O ATOM 1008 OE2 GLU A 64 -1.216 -7.847 2.934 1.00 0.00 O ATOM 0 H GLU A 64 -4.140 -4.706 1.007 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.867 -4.751 3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.161 -6.269 4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.663 -6.774 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.630 -6.265 1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.287 -4.967 2.792 1.00 0.00 H new ATOM 1015 N MET A 65 -3.254 -2.836 3.108 1.00 0.00 N ATOM 1016 CA MET A 65 -2.511 -1.759 3.753 1.00 0.00 C ATOM 1017 C MET A 65 -2.590 -0.476 2.932 1.00 0.00 C ATOM 1018 O MET A 65 -1.620 0.277 2.846 1.00 0.00 O ATOM 1019 CB MET A 65 -1.049 -2.165 3.947 1.00 0.00 C ATOM 1020 CG MET A 65 -0.847 -3.210 5.033 1.00 0.00 C ATOM 1021 SD MET A 65 -1.045 -2.534 6.692 1.00 0.00 S ATOM 1022 CE MET A 65 0.376 -1.448 6.788 1.00 0.00 C ATOM 0 H MET A 65 -3.035 -2.968 2.121 1.00 0.00 H new ATOM 0 HA MET A 65 -2.962 -1.573 4.728 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.660 -2.552 3.005 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.464 -1.279 4.194 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.560 -4.022 4.888 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.150 -3.640 4.937 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.138 -1.901 7.422 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.782 -1.291 5.789 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.074 -0.490 7.212 1.00 0.00 H new ATOM 1032 N GLN A 66 -3.750 -0.234 2.331 1.00 0.00 N ATOM 1033 CA GLN A 66 -3.954 0.957 1.516 1.00 0.00 C ATOM 1034 C GLN A 66 -4.657 2.050 2.315 1.00 0.00 C ATOM 1035 O GLN A 66 -5.344 1.769 3.297 1.00 0.00 O ATOM 1036 CB GLN A 66 -4.772 0.615 0.269 1.00 0.00 C ATOM 1037 CG GLN A 66 -4.545 1.573 -0.889 1.00 0.00 C ATOM 1038 CD GLN A 66 -4.753 0.916 -2.239 1.00 0.00 C ATOM 1039 OE1 GLN A 66 -5.752 1.383 -2.978 1.00 0.00 O flip ATOM 1040 NE2 GLN A 66 -4.023 -0.002 -2.615 1.00 0.00 N flip ATOM 0 H GLN A 66 -4.563 -0.847 2.393 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.976 1.328 1.210 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.523 -0.396 -0.053 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.831 0.615 0.528 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.224 2.420 -0.793 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.531 1.969 -0.834 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.266 -0.330 -2.015 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.175 -0.434 -3.526 1.00 0.00 H new ATOM 1049 N ARG A 67 -4.480 3.295 1.887 1.00 0.00 N ATOM 1050 CA ARG A 67 -5.097 4.430 2.565 1.00 0.00 C ATOM 1051 C ARG A 67 -6.595 4.485 2.280 1.00 0.00 C ATOM 1052 O ARG A 67 -7.015 4.579 1.126 1.00 0.00 O ATOM 1053 CB ARG A 67 -4.434 5.736 2.122 1.00 0.00 C ATOM 1054 CG ARG A 67 -2.921 5.729 2.261 1.00 0.00 C ATOM 1055 CD ARG A 67 -2.338 7.121 2.078 1.00 0.00 C ATOM 1056 NE ARG A 67 -1.106 7.304 2.841 1.00 0.00 N ATOM 1057 CZ ARG A 67 -0.124 8.118 2.469 1.00 0.00 C ATOM 1058 NH1 ARG A 67 -0.230 8.821 1.350 1.00 0.00 N ATOM 1059 NH2 ARG A 67 0.966 8.230 3.217 1.00 0.00 N ATOM 0 H ARG A 67 -3.915 3.544 1.075 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.954 4.303 3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.694 5.931 1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.841 6.558 2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.647 5.345 3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.490 5.053 1.523 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.138 7.294 1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.071 7.865 2.390 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.993 6.778 3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.067 8.738 0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.525 9.445 1.066 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.051 7.691 4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.719 8.855 2.930 1.00 0.00 H new ATOM 1073 N CYS A 68 -7.396 4.425 3.338 1.00 0.00 N ATOM 1074 CA CYS A 68 -8.847 4.467 3.203 1.00 0.00 C ATOM 1075 C CYS A 68 -9.319 5.873 2.845 1.00 0.00 C ATOM 1076 O CYS A 68 -8.539 6.825 2.864 1.00 0.00 O ATOM 1077 CB CYS A 68 -9.514 4.008 4.501 1.00 0.00 C ATOM 1078 SG CYS A 68 -11.271 3.564 4.317 1.00 0.00 S ATOM 0 H CYS A 68 -7.064 4.347 4.299 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.132 3.791 2.397 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.972 3.147 4.891 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.427 4.802 5.242 1.00 0.00 H new ATOM 1083 N SER A 69 -10.602 5.995 2.519 1.00 0.00 N ATOM 1084 CA SER A 69 -11.179 7.284 2.153 1.00 0.00 C ATOM 1085 C SER A 69 -10.720 7.708 0.761 1.00 0.00 C ATOM 1086 O SER A 69 -10.261 8.832 0.562 1.00 0.00 O ATOM 1087 CB SER A 69 -10.789 8.350 3.178 1.00 0.00 C ATOM 1088 OG SER A 69 -10.996 7.887 4.500 1.00 0.00 O ATOM 0 H SER A 69 -11.262 5.217 2.501 1.00 0.00 H new ATOM 0 HA SER A 69 -12.264 7.180 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.742 8.621 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.376 9.253 3.010 1.00 0.00 H new ATOM 0 HG SER A 69 -10.737 8.586 5.136 1.00 0.00 H new ATOM 1094 N GLY A 70 -10.849 6.799 -0.201 1.00 0.00 N ATOM 1095 CA GLY A 70 -10.444 7.096 -1.562 1.00 0.00 C ATOM 1096 C GLY A 70 -8.984 6.777 -1.816 1.00 0.00 C ATOM 1097 O GLY A 70 -8.085 7.348 -1.198 1.00 0.00 O ATOM 0 H GLY A 70 -11.227 5.862 -0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.063 6.526 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.623 8.151 -1.769 1.00 0.00 H new ATOM 1101 N PRO A 71 -8.731 5.843 -2.744 1.00 0.00 N ATOM 1102 CA PRO A 71 -7.370 5.427 -3.098 1.00 0.00 C ATOM 1103 C PRO A 71 -6.607 6.516 -3.845 1.00 0.00 C ATOM 1104 O PRO A 71 -5.467 6.312 -4.262 1.00 0.00 O ATOM 1105 CB PRO A 71 -7.595 4.214 -4.005 1.00 0.00 C ATOM 1106 CG PRO A 71 -8.953 4.419 -4.582 1.00 0.00 C ATOM 1107 CD PRO A 71 -9.753 5.121 -3.520 1.00 0.00 C ATOM 0 HA PRO A 71 -6.767 5.211 -2.216 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.837 4.158 -4.786 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.541 3.283 -3.441 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.904 5.016 -5.492 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.411 3.467 -4.850 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.485 5.803 -3.953 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.304 4.415 -2.899 1.00 0.00 H new ATOM 1115 N SER A 72 -7.243 7.671 -4.009 1.00 0.00 N ATOM 1116 CA SER A 72 -6.624 8.791 -4.708 1.00 0.00 C ATOM 1117 C SER A 72 -5.639 9.522 -3.800 1.00 0.00 C ATOM 1118 O SER A 72 -5.902 9.722 -2.614 1.00 0.00 O ATOM 1119 CB SER A 72 -7.695 9.764 -5.204 1.00 0.00 C ATOM 1120 OG SER A 72 -8.543 10.173 -4.145 1.00 0.00 O ATOM 0 H SER A 72 -8.186 7.856 -3.668 1.00 0.00 H new ATOM 0 HA SER A 72 -6.077 8.395 -5.564 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.219 10.637 -5.650 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.288 9.289 -5.986 1.00 0.00 H new ATOM 0 HG SER A 72 -9.218 10.796 -4.488 1.00 0.00 H new ATOM 1126 N SER A 73 -4.504 9.917 -4.366 1.00 0.00 N ATOM 1127 CA SER A 73 -3.476 10.622 -3.608 1.00 0.00 C ATOM 1128 C SER A 73 -3.335 12.061 -4.093 1.00 0.00 C ATOM 1129 O SER A 73 -2.584 12.344 -5.025 1.00 0.00 O ATOM 1130 CB SER A 73 -2.135 9.897 -3.731 1.00 0.00 C ATOM 1131 OG SER A 73 -1.091 10.650 -3.137 1.00 0.00 O ATOM 0 H SER A 73 -4.272 9.761 -5.347 1.00 0.00 H new ATOM 0 HA SER A 73 -3.778 10.638 -2.561 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.201 8.920 -3.252 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.908 9.722 -4.783 1.00 0.00 H new ATOM 0 HG SER A 73 -0.245 10.164 -3.228 1.00 0.00 H new ATOM 1137 N GLY A 74 -4.065 12.969 -3.451 1.00 0.00 N ATOM 1138 CA GLY A 74 -4.009 14.369 -3.830 1.00 0.00 C ATOM 1139 C GLY A 74 -4.476 15.289 -2.720 1.00 0.00 C ATOM 1140 O GLY A 74 -5.672 15.563 -2.633 1.00 0.00 O ATOM 0 H GLY A 74 -4.694 12.760 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.986 14.627 -4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.627 14.528 -4.714 1.00 0.00 H new TER 1144 GLY A 74 HETATM 1145 ZN ZN A 201 -11.724 1.571 3.351 1.00 0.00 ZN HETATM 1146 ZN ZN A 401 -12.942 -8.945 -6.438 1.00 0.00 ZN