USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 469 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 43 HIS HD1 : A 43 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 17 THR OG1 : rot 45:sc= 0.0106 USER MOD Set 1.2: A 22 HIS : no HD1:sc= -0.273 X(o=-0.26,f=0.0027) 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 30:sc= 0.194 USER MOD Single : A 9 MET CE :methyl -162:sc= -0.026 (180deg=-0.601) USER MOD Single : A 14 ASN : amide:sc= -1.8 K(o=-1.8,f=-3.3!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0309 X(o=-0.031,f=-0.21) USER MOD Single : A 25 SER OG : rot 33:sc= 0.262 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -146:sc= -0.635 (180deg=-1.01) USER MOD Single : A 34 ASN : amide:sc= -1.05 K(o=-1.1,f=-9.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= -0.0125 (180deg=-0.192) USER MOD Single : A 56 LYS NZ :NH3+ -158:sc= -0.0461 (180deg=-0.374) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.612 K(o=-0.61,f=-4.3!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 18:sc= 0.409! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.673 2.388 12.467 1.00 0.00 N ATOM 2 CA GLY A 1 16.838 2.640 11.308 1.00 0.00 C ATOM 3 C GLY A 1 16.661 4.119 11.031 1.00 0.00 C ATOM 4 O GLY A 1 17.416 4.707 10.256 1.00 0.00 O ATOM 0 H1 GLY A 1 17.763 1.362 12.614 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.615 2.799 12.312 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.240 2.821 13.308 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.280 2.160 10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.861 2.183 11.462 1.00 0.00 H new ATOM 8 N SER A 2 15.661 4.723 11.664 1.00 0.00 N ATOM 9 CA SER A 2 15.384 6.143 11.477 1.00 0.00 C ATOM 10 C SER A 2 15.892 6.956 12.664 1.00 0.00 C ATOM 11 O SER A 2 16.383 6.401 13.646 1.00 0.00 O ATOM 12 CB SER A 2 13.882 6.371 11.293 1.00 0.00 C ATOM 13 OG SER A 2 13.429 5.822 10.068 1.00 0.00 O ATOM 0 H SER A 2 15.029 4.252 12.311 1.00 0.00 H new ATOM 0 HA SER A 2 15.907 6.476 10.580 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.338 5.917 12.122 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.668 7.439 11.318 1.00 0.00 H new ATOM 0 HG SER A 2 12.466 5.979 9.975 1.00 0.00 H new ATOM 19 N SER A 3 15.771 8.276 12.564 1.00 0.00 N ATOM 20 CA SER A 3 16.221 9.167 13.626 1.00 0.00 C ATOM 21 C SER A 3 15.137 9.340 14.686 1.00 0.00 C ATOM 22 O SER A 3 15.353 9.054 15.863 1.00 0.00 O ATOM 23 CB SER A 3 16.606 10.530 13.048 1.00 0.00 C ATOM 24 OG SER A 3 17.828 10.454 12.333 1.00 0.00 O ATOM 0 H SER A 3 15.365 8.752 11.758 1.00 0.00 H new ATOM 0 HA SER A 3 17.096 8.719 14.096 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.815 10.885 12.387 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.697 11.258 13.854 1.00 0.00 H new ATOM 0 HG SER A 3 18.051 11.337 11.972 1.00 0.00 H new ATOM 30 N GLY A 4 13.969 9.811 14.258 1.00 0.00 N ATOM 31 CA GLY A 4 12.868 10.014 15.182 1.00 0.00 C ATOM 32 C GLY A 4 11.527 10.086 14.479 1.00 0.00 C ATOM 33 O GLY A 4 11.108 9.130 13.826 1.00 0.00 O ATOM 0 H GLY A 4 13.766 10.055 13.289 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.851 9.200 15.907 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.032 10.935 15.741 1.00 0.00 H new ATOM 37 N SER A 5 10.852 11.223 14.612 1.00 0.00 N ATOM 38 CA SER A 5 9.547 11.415 13.989 1.00 0.00 C ATOM 39 C SER A 5 9.508 12.722 13.203 1.00 0.00 C ATOM 40 O SER A 5 9.327 13.797 13.774 1.00 0.00 O ATOM 41 CB SER A 5 8.446 11.411 15.051 1.00 0.00 C ATOM 42 OG SER A 5 7.220 10.945 14.513 1.00 0.00 O ATOM 0 H SER A 5 11.187 12.025 15.145 1.00 0.00 H new ATOM 0 HA SER A 5 9.377 10.590 13.297 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.744 10.777 15.886 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.314 12.418 15.446 1.00 0.00 H new ATOM 0 HG SER A 5 6.533 10.950 15.212 1.00 0.00 H new ATOM 48 N SER A 6 9.679 12.620 11.889 1.00 0.00 N ATOM 49 CA SER A 6 9.667 13.793 11.023 1.00 0.00 C ATOM 50 C SER A 6 9.182 13.430 9.623 1.00 0.00 C ATOM 51 O SER A 6 9.533 12.381 9.085 1.00 0.00 O ATOM 52 CB SER A 6 11.064 14.411 10.947 1.00 0.00 C ATOM 53 OG SER A 6 11.266 15.347 11.992 1.00 0.00 O ATOM 0 H SER A 6 9.828 11.737 11.401 1.00 0.00 H new ATOM 0 HA SER A 6 8.978 14.522 11.449 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.817 13.625 11.008 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.195 14.903 9.983 1.00 0.00 H new ATOM 0 HG SER A 6 10.737 15.084 12.774 1.00 0.00 H new ATOM 59 N GLY A 7 8.371 14.308 9.038 1.00 0.00 N ATOM 60 CA GLY A 7 7.851 14.063 7.706 1.00 0.00 C ATOM 61 C GLY A 7 6.604 14.875 7.413 1.00 0.00 C ATOM 62 O GLY A 7 6.688 16.064 7.106 1.00 0.00 O ATOM 0 H GLY A 7 8.066 15.183 9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.618 14.302 6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.624 13.002 7.597 1.00 0.00 H new ATOM 66 N ASP A 8 5.446 14.231 7.505 1.00 0.00 N ATOM 67 CA ASP A 8 4.177 14.901 7.246 1.00 0.00 C ATOM 68 C ASP A 8 3.199 14.674 8.395 1.00 0.00 C ATOM 69 O ASP A 8 2.328 13.808 8.320 1.00 0.00 O ATOM 70 CB ASP A 8 3.568 14.399 5.936 1.00 0.00 C ATOM 71 CG ASP A 8 2.094 14.733 5.816 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.774 15.899 5.503 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.262 13.828 6.034 1.00 0.00 O ATOM 0 H ASP A 8 5.360 13.246 7.757 1.00 0.00 H new ATOM 0 HA ASP A 8 4.370 15.970 7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 8 4.107 14.839 5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.699 13.319 5.868 1.00 0.00 H new ATOM 78 N MET A 9 3.350 15.459 9.457 1.00 0.00 N ATOM 79 CA MET A 9 2.480 15.344 10.621 1.00 0.00 C ATOM 80 C MET A 9 1.100 15.927 10.329 1.00 0.00 C ATOM 81 O MET A 9 0.086 15.231 10.366 1.00 0.00 O ATOM 82 CB MET A 9 3.103 16.056 11.823 1.00 0.00 C ATOM 83 CG MET A 9 3.900 15.133 12.730 1.00 0.00 C ATOM 84 SD MET A 9 5.641 15.041 12.270 1.00 0.00 S ATOM 85 CE MET A 9 6.425 15.255 13.866 1.00 0.00 C ATOM 0 H MET A 9 4.066 16.181 9.535 1.00 0.00 H new ATOM 0 HA MET A 9 2.366 14.285 10.854 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.755 16.852 11.465 1.00 0.00 H new ATOM 0 HB3 MET A 9 2.312 16.529 12.405 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.818 15.482 13.759 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.466 14.134 12.697 1.00 0.00 H new ATOM 0 HE1 MET A 9 7.468 15.540 13.724 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.908 16.036 14.423 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.377 14.319 14.423 1.00 0.00 H new ATOM 95 N PRO A 10 1.060 17.234 10.032 1.00 0.00 N ATOM 96 CA PRO A 10 -0.189 17.939 9.728 1.00 0.00 C ATOM 97 C PRO A 10 -0.781 17.516 8.388 1.00 0.00 C ATOM 98 O PRO A 10 -0.144 17.656 7.344 1.00 0.00 O ATOM 99 CB PRO A 10 0.235 19.409 9.686 1.00 0.00 C ATOM 100 CG PRO A 10 1.684 19.376 9.340 1.00 0.00 C ATOM 101 CD PRO A 10 2.231 18.125 9.970 1.00 0.00 C ATOM 0 HA PRO A 10 -0.967 17.727 10.462 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.337 19.965 8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.068 19.897 10.646 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.827 19.364 8.260 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.196 20.260 9.719 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.034 17.692 9.373 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.640 18.320 10.961 1.00 0.00 H new ATOM 109 N VAL A 11 -2.005 16.999 8.424 1.00 0.00 N ATOM 110 CA VAL A 11 -2.685 16.558 7.212 1.00 0.00 C ATOM 111 C VAL A 11 -3.498 17.689 6.595 1.00 0.00 C ATOM 112 O VAL A 11 -3.660 18.751 7.196 1.00 0.00 O ATOM 113 CB VAL A 11 -3.617 15.364 7.494 1.00 0.00 C ATOM 114 CG1 VAL A 11 -2.818 14.165 7.980 1.00 0.00 C ATOM 115 CG2 VAL A 11 -4.684 15.751 8.508 1.00 0.00 C ATOM 0 H VAL A 11 -2.546 16.875 9.280 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.911 16.247 6.510 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.114 15.085 6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.494 13.332 8.174 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.095 13.876 7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.292 14.426 8.898 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.334 14.897 8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.207 16.056 9.439 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.276 16.578 8.116 1.00 0.00 H new ATOM 125 N ASP A 12 -4.009 17.455 5.391 1.00 0.00 N ATOM 126 CA ASP A 12 -4.808 18.454 4.692 1.00 0.00 C ATOM 127 C ASP A 12 -5.381 17.884 3.398 1.00 0.00 C ATOM 128 O ASP A 12 -4.874 16.909 2.842 1.00 0.00 O ATOM 129 CB ASP A 12 -3.963 19.692 4.387 1.00 0.00 C ATOM 130 CG ASP A 12 -3.991 20.704 5.516 1.00 0.00 C ATOM 131 OD1 ASP A 12 -5.100 21.094 5.935 1.00 0.00 O ATOM 132 OD2 ASP A 12 -2.903 21.106 5.980 1.00 0.00 O ATOM 0 H ASP A 12 -3.884 16.582 4.879 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.636 18.739 5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.933 19.388 4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.328 20.161 3.473 1.00 0.00 H new ATOM 137 N PRO A 13 -6.464 18.503 2.906 1.00 0.00 N ATOM 138 CA PRO A 13 -7.130 18.074 1.673 1.00 0.00 C ATOM 139 C PRO A 13 -6.288 18.352 0.433 1.00 0.00 C ATOM 140 O PRO A 13 -6.501 17.752 -0.620 1.00 0.00 O ATOM 141 CB PRO A 13 -8.409 18.914 1.650 1.00 0.00 C ATOM 142 CG PRO A 13 -8.081 20.126 2.452 1.00 0.00 C ATOM 143 CD PRO A 13 -7.122 19.671 3.517 1.00 0.00 C ATOM 0 HA PRO A 13 -7.310 16.999 1.660 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.691 19.178 0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.248 18.369 2.082 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.632 20.898 1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.980 20.556 2.894 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.403 20.450 3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.641 19.404 4.438 1.00 0.00 H new ATOM 151 N ASN A 14 -5.330 19.264 0.565 1.00 0.00 N ATOM 152 CA ASN A 14 -4.456 19.621 -0.546 1.00 0.00 C ATOM 153 C ASN A 14 -4.033 18.379 -1.326 1.00 0.00 C ATOM 154 O ASN A 14 -4.189 18.318 -2.545 1.00 0.00 O ATOM 155 CB ASN A 14 -3.218 20.359 -0.031 1.00 0.00 C ATOM 156 CG ASN A 14 -3.556 21.376 1.042 1.00 0.00 C ATOM 157 OD1 ASN A 14 -3.025 21.324 2.151 1.00 0.00 O ATOM 158 ND2 ASN A 14 -4.445 22.307 0.715 1.00 0.00 N ATOM 0 H ASN A 14 -5.140 19.769 1.430 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.011 20.278 -1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.507 19.636 0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.726 20.863 -0.863 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.713 23.018 1.396 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.860 22.311 -0.217 1.00 0.00 H new ATOM 165 N GLU A 15 -3.498 17.393 -0.613 1.00 0.00 N ATOM 166 CA GLU A 15 -3.053 16.153 -1.240 1.00 0.00 C ATOM 167 C GLU A 15 -3.884 14.969 -0.753 1.00 0.00 C ATOM 168 O GLU A 15 -4.043 14.740 0.446 1.00 0.00 O ATOM 169 CB GLU A 15 -1.573 15.908 -0.941 1.00 0.00 C ATOM 170 CG GLU A 15 -0.633 16.599 -1.916 1.00 0.00 C ATOM 171 CD GLU A 15 -0.611 18.104 -1.736 1.00 0.00 C ATOM 172 OE1 GLU A 15 0.146 18.588 -0.869 1.00 0.00 O ATOM 173 OE2 GLU A 15 -1.350 18.799 -2.465 1.00 0.00 O ATOM 0 H GLU A 15 -3.362 17.428 0.397 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.188 16.251 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.353 16.253 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.380 14.835 -0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.375 16.206 -1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.936 16.363 -2.936 1.00 0.00 H new ATOM 180 N PRO A 16 -4.429 14.198 -1.706 1.00 0.00 N ATOM 181 CA PRO A 16 -5.253 13.025 -1.400 1.00 0.00 C ATOM 182 C PRO A 16 -4.437 11.883 -0.805 1.00 0.00 C ATOM 183 O PRO A 16 -3.292 11.653 -1.197 1.00 0.00 O ATOM 184 CB PRO A 16 -5.819 12.624 -2.764 1.00 0.00 C ATOM 185 CG PRO A 16 -4.834 13.147 -3.752 1.00 0.00 C ATOM 186 CD PRO A 16 -4.282 14.412 -3.156 1.00 0.00 C ATOM 0 HA PRO A 16 -6.017 13.246 -0.655 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.925 11.542 -2.846 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.807 13.055 -2.925 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.040 12.422 -3.933 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.311 13.344 -4.712 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.240 14.567 -3.436 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.836 15.289 -3.491 1.00 0.00 H new ATOM 194 N THR A 17 -5.032 11.168 0.145 1.00 0.00 N ATOM 195 CA THR A 17 -4.360 10.050 0.795 1.00 0.00 C ATOM 196 C THR A 17 -4.877 8.716 0.268 1.00 0.00 C ATOM 197 O THR A 17 -6.086 8.505 0.165 1.00 0.00 O ATOM 198 CB THR A 17 -4.548 10.093 2.323 1.00 0.00 C ATOM 199 OG1 THR A 17 -5.930 10.290 2.641 1.00 0.00 O ATOM 200 CG2 THR A 17 -3.717 11.208 2.940 1.00 0.00 C ATOM 0 H THR A 17 -5.979 11.344 0.481 1.00 0.00 H new ATOM 0 HA THR A 17 -3.299 10.142 0.564 1.00 0.00 H new ATOM 0 HB THR A 17 -4.213 9.141 2.735 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.481 9.701 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.866 11.218 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.663 11.040 2.721 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.026 12.166 2.522 1.00 0.00 H new ATOM 208 N TYR A 18 -3.955 7.819 -0.064 1.00 0.00 N ATOM 209 CA TYR A 18 -4.319 6.506 -0.582 1.00 0.00 C ATOM 210 C TYR A 18 -3.928 5.406 0.399 1.00 0.00 C ATOM 211 O TYR A 18 -4.787 4.739 0.978 1.00 0.00 O ATOM 212 CB TYR A 18 -3.643 6.263 -1.933 1.00 0.00 C ATOM 213 CG TYR A 18 -3.872 7.374 -2.933 1.00 0.00 C ATOM 214 CD1 TYR A 18 -3.302 8.628 -2.749 1.00 0.00 C ATOM 215 CD2 TYR A 18 -4.658 7.171 -4.060 1.00 0.00 C ATOM 216 CE1 TYR A 18 -3.508 9.647 -3.660 1.00 0.00 C ATOM 217 CE2 TYR A 18 -4.868 8.183 -4.977 1.00 0.00 C ATOM 218 CZ TYR A 18 -4.292 9.419 -4.772 1.00 0.00 C ATOM 219 OH TYR A 18 -4.500 10.430 -5.681 1.00 0.00 O ATOM 0 H TYR A 18 -2.951 7.977 0.016 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.401 6.483 -0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.571 6.141 -1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.012 5.327 -2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.688 8.809 -1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.113 6.205 -4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.058 10.616 -3.502 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.480 8.007 -5.849 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.074 10.105 -6.406 1.00 0.00 H new ATOM 229 N CYS A 19 -2.625 5.221 0.583 1.00 0.00 N ATOM 230 CA CYS A 19 -2.117 4.203 1.495 1.00 0.00 C ATOM 231 C CYS A 19 -2.887 4.220 2.812 1.00 0.00 C ATOM 232 O CYS A 19 -3.592 5.181 3.120 1.00 0.00 O ATOM 233 CB CYS A 19 -0.626 4.423 1.759 1.00 0.00 C ATOM 234 SG CYS A 19 0.159 3.100 2.735 1.00 0.00 S ATOM 0 H CYS A 19 -1.901 5.764 0.112 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.256 3.229 1.026 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.108 4.512 0.804 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.496 5.371 2.281 1.00 0.00 H new ATOM 239 N LEU A 20 -2.746 3.149 3.587 1.00 0.00 N ATOM 240 CA LEU A 20 -3.427 3.040 4.872 1.00 0.00 C ATOM 241 C LEU A 20 -2.911 4.088 5.853 1.00 0.00 C ATOM 242 O LEU A 20 -3.679 4.667 6.621 1.00 0.00 O ATOM 243 CB LEU A 20 -3.234 1.640 5.456 1.00 0.00 C ATOM 244 CG LEU A 20 -3.808 0.485 4.634 1.00 0.00 C ATOM 245 CD1 LEU A 20 -2.749 -0.085 3.703 1.00 0.00 C ATOM 246 CD2 LEU A 20 -4.356 -0.600 5.549 1.00 0.00 C ATOM 0 H LEU A 20 -2.166 2.345 3.347 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.490 3.216 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.166 1.468 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.688 1.615 6.447 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.628 0.869 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.175 -0.906 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.404 0.695 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.908 -0.453 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.760 -1.414 4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.555 -0.981 6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.146 -0.184 6.174 1.00 0.00 H new ATOM 258 N CYS A 21 -1.604 4.329 5.820 1.00 0.00 N ATOM 259 CA CYS A 21 -0.984 5.308 6.704 1.00 0.00 C ATOM 260 C CYS A 21 -1.647 6.674 6.553 1.00 0.00 C ATOM 261 O CYS A 21 -1.426 7.576 7.361 1.00 0.00 O ATOM 262 CB CYS A 21 0.512 5.419 6.407 1.00 0.00 C ATOM 263 SG CYS A 21 0.899 5.786 4.665 1.00 0.00 S ATOM 0 H CYS A 21 -0.954 3.859 5.190 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.119 4.970 7.731 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.939 6.200 7.035 1.00 0.00 H new ATOM 0 HB3 CYS A 21 0.997 4.484 6.687 1.00 0.00 H new ATOM 268 N HIS A 22 -2.461 6.819 5.512 1.00 0.00 N ATOM 269 CA HIS A 22 -3.157 8.074 5.254 1.00 0.00 C ATOM 270 C HIS A 22 -2.164 9.197 4.967 1.00 0.00 C ATOM 271 O HIS A 22 -2.275 10.291 5.520 1.00 0.00 O ATOM 272 CB HIS A 22 -4.037 8.448 6.447 1.00 0.00 C ATOM 273 CG HIS A 22 -5.290 7.633 6.546 1.00 0.00 C ATOM 274 ND1 HIS A 22 -6.336 7.751 5.655 1.00 0.00 N ATOM 275 CD2 HIS A 22 -5.661 6.684 7.436 1.00 0.00 C ATOM 276 CE1 HIS A 22 -7.297 6.910 5.994 1.00 0.00 C ATOM 277 NE2 HIS A 22 -6.912 6.250 7.072 1.00 0.00 N ATOM 0 H HIS A 22 -2.655 6.082 4.833 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.788 7.937 4.376 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.461 8.327 7.365 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.304 9.502 6.375 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.081 6.333 8.277 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.237 6.784 5.478 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -7.455 5.535 7.555 1.00 0.00 H new ATOM 286 N GLN A 23 -1.195 8.917 4.102 1.00 0.00 N ATOM 287 CA GLN A 23 -0.183 9.904 3.744 1.00 0.00 C ATOM 288 C GLN A 23 -0.308 10.305 2.278 1.00 0.00 C ATOM 289 O GLN A 23 -1.035 9.674 1.511 1.00 0.00 O ATOM 290 CB GLN A 23 1.217 9.350 4.015 1.00 0.00 C ATOM 291 CG GLN A 23 1.505 9.121 5.490 1.00 0.00 C ATOM 292 CD GLN A 23 2.973 9.288 5.831 1.00 0.00 C ATOM 293 OE1 GLN A 23 3.595 10.289 5.473 1.00 0.00 O ATOM 294 NE2 GLN A 23 3.535 8.308 6.528 1.00 0.00 N ATOM 0 H GLN A 23 -1.089 8.016 3.636 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.342 10.790 4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.336 8.408 3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.957 10.042 3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.916 9.820 6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.183 8.117 5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.982 7.496 6.804 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.520 8.367 6.788 1.00 0.00 H new ATOM 303 N VAL A 24 0.405 11.360 1.895 1.00 0.00 N ATOM 304 CA VAL A 24 0.374 11.846 0.521 1.00 0.00 C ATOM 305 C VAL A 24 1.186 10.942 -0.400 1.00 0.00 C ATOM 306 O VAL A 24 1.989 10.130 0.060 1.00 0.00 O ATOM 307 CB VAL A 24 0.918 13.283 0.422 1.00 0.00 C ATOM 308 CG1 VAL A 24 0.219 14.189 1.424 1.00 0.00 C ATOM 309 CG2 VAL A 24 2.424 13.298 0.636 1.00 0.00 C ATOM 0 H VAL A 24 1.011 11.894 2.518 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.669 11.838 0.206 1.00 0.00 H new ATOM 0 HB VAL A 24 0.713 13.663 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.617 15.200 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.851 14.202 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.390 13.815 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.792 14.321 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.655 12.899 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.906 12.684 -0.125 1.00 0.00 H new ATOM 319 N SER A 25 0.971 11.088 -1.703 1.00 0.00 N ATOM 320 CA SER A 25 1.680 10.282 -2.690 1.00 0.00 C ATOM 321 C SER A 25 3.190 10.445 -2.540 1.00 0.00 C ATOM 322 O SER A 25 3.712 11.559 -2.569 1.00 0.00 O ATOM 323 CB SER A 25 1.252 10.676 -4.105 1.00 0.00 C ATOM 324 OG SER A 25 1.678 9.714 -5.053 1.00 0.00 O ATOM 0 H SER A 25 0.311 11.757 -2.100 1.00 0.00 H new ATOM 0 HA SER A 25 1.425 9.236 -2.519 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.167 10.776 -4.146 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.671 11.650 -4.357 1.00 0.00 H new ATOM 0 HG SER A 25 1.674 8.825 -4.641 1.00 0.00 H new ATOM 330 N TYR A 26 3.886 9.325 -2.379 1.00 0.00 N ATOM 331 CA TYR A 26 5.335 9.341 -2.222 1.00 0.00 C ATOM 332 C TYR A 26 5.911 7.932 -2.325 1.00 0.00 C ATOM 333 O TYR A 26 5.189 6.944 -2.201 1.00 0.00 O ATOM 334 CB TYR A 26 5.716 9.963 -0.877 1.00 0.00 C ATOM 335 CG TYR A 26 5.604 9.003 0.287 1.00 0.00 C ATOM 336 CD1 TYR A 26 6.496 7.949 0.432 1.00 0.00 C ATOM 337 CD2 TYR A 26 4.604 9.151 1.240 1.00 0.00 C ATOM 338 CE1 TYR A 26 6.397 7.070 1.493 1.00 0.00 C ATOM 339 CE2 TYR A 26 4.498 8.278 2.305 1.00 0.00 C ATOM 340 CZ TYR A 26 5.397 7.238 2.427 1.00 0.00 C ATOM 341 OH TYR A 26 5.294 6.365 3.486 1.00 0.00 O ATOM 0 H TYR A 26 3.470 8.394 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 26 5.755 9.945 -3.027 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.739 10.334 -0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.075 10.824 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.281 7.814 -0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.898 9.962 1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.099 6.255 1.590 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.716 8.408 3.038 1.00 0.00 H new ATOM 0 HH TYR A 26 4.537 6.625 4.052 1.00 0.00 H new ATOM 351 N GLY A 27 7.218 7.849 -2.552 1.00 0.00 N ATOM 352 CA GLY A 27 7.870 6.558 -2.668 1.00 0.00 C ATOM 353 C GLY A 27 7.247 5.688 -3.741 1.00 0.00 C ATOM 354 O GLY A 27 6.249 6.066 -4.353 1.00 0.00 O ATOM 0 H GLY A 27 7.837 8.653 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.926 6.707 -2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.818 6.041 -1.710 1.00 0.00 H new ATOM 358 N GLU A 28 7.838 4.519 -3.971 1.00 0.00 N ATOM 359 CA GLU A 28 7.335 3.595 -4.981 1.00 0.00 C ATOM 360 C GLU A 28 5.922 3.132 -4.638 1.00 0.00 C ATOM 361 O GLU A 28 5.618 2.834 -3.483 1.00 0.00 O ATOM 362 CB GLU A 28 8.264 2.385 -5.104 1.00 0.00 C ATOM 363 CG GLU A 28 9.438 2.613 -6.041 1.00 0.00 C ATOM 364 CD GLU A 28 10.607 1.692 -5.747 1.00 0.00 C ATOM 365 OE1 GLU A 28 10.764 1.289 -4.576 1.00 0.00 O ATOM 366 OE2 GLU A 28 11.363 1.375 -6.689 1.00 0.00 O ATOM 0 H GLU A 28 8.665 4.190 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 28 7.305 4.120 -5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.644 2.127 -4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.688 1.530 -5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.111 2.462 -7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.767 3.649 -5.960 1.00 0.00 H new ATOM 373 N MET A 29 5.063 3.075 -5.650 1.00 0.00 N ATOM 374 CA MET A 29 3.682 2.648 -5.457 1.00 0.00 C ATOM 375 C MET A 29 3.266 1.649 -6.532 1.00 0.00 C ATOM 376 O MET A 29 3.958 1.481 -7.537 1.00 0.00 O ATOM 377 CB MET A 29 2.744 3.857 -5.477 1.00 0.00 C ATOM 378 CG MET A 29 3.154 4.960 -4.515 1.00 0.00 C ATOM 379 SD MET A 29 1.959 6.308 -4.454 1.00 0.00 S ATOM 380 CE MET A 29 0.707 5.602 -3.386 1.00 0.00 C ATOM 0 H MET A 29 5.299 3.319 -6.612 1.00 0.00 H new ATOM 0 HA MET A 29 3.612 2.159 -4.485 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.709 4.263 -6.488 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.735 3.528 -5.230 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.273 4.540 -3.516 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.126 5.354 -4.813 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.277 5.954 -3.696 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.741 4.515 -3.454 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.893 5.907 -2.356 1.00 0.00 H new ATOM 390 N ILE A 30 2.133 0.990 -6.315 1.00 0.00 N ATOM 391 CA ILE A 30 1.626 0.009 -7.266 1.00 0.00 C ATOM 392 C ILE A 30 0.132 0.199 -7.507 1.00 0.00 C ATOM 393 O ILE A 30 -0.545 0.899 -6.756 1.00 0.00 O ATOM 394 CB ILE A 30 1.877 -1.430 -6.779 1.00 0.00 C ATOM 395 CG1 ILE A 30 0.879 -1.801 -5.680 1.00 0.00 C ATOM 396 CG2 ILE A 30 3.305 -1.577 -6.276 1.00 0.00 C ATOM 397 CD1 ILE A 30 1.271 -1.294 -4.310 1.00 0.00 C ATOM 0 H ILE A 30 1.549 1.118 -5.489 1.00 0.00 H new ATOM 0 HA ILE A 30 2.166 0.167 -8.200 1.00 0.00 H new ATOM 0 HB ILE A 30 1.736 -2.112 -7.618 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.101 -1.400 -5.940 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.780 -2.886 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.467 -2.600 -5.935 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.001 -1.349 -7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.472 -0.888 -5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.518 -1.594 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.236 -1.715 -4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.342 -0.207 -4.331 1.00 0.00 H new ATOM 409 N GLY A 31 -0.376 -0.432 -8.562 1.00 0.00 N ATOM 410 CA GLY A 31 -1.787 -0.322 -8.883 1.00 0.00 C ATOM 411 C GLY A 31 -2.530 -1.630 -8.691 1.00 0.00 C ATOM 412 O GLY A 31 -2.400 -2.550 -9.498 1.00 0.00 O ATOM 0 H GLY A 31 0.164 -1.017 -9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.240 0.445 -8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.897 0.006 -9.917 1.00 0.00 H new ATOM 416 N CYS A 32 -3.309 -1.714 -7.618 1.00 0.00 N ATOM 417 CA CYS A 32 -4.073 -2.919 -7.319 1.00 0.00 C ATOM 418 C CYS A 32 -4.736 -3.468 -8.580 1.00 0.00 C ATOM 419 O CYS A 32 -5.340 -2.723 -9.351 1.00 0.00 O ATOM 420 CB CYS A 32 -5.135 -2.624 -6.259 1.00 0.00 C ATOM 421 SG CYS A 32 -5.941 -4.111 -5.581 1.00 0.00 S ATOM 0 H CYS A 32 -3.428 -0.961 -6.940 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.384 -3.671 -6.934 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.674 -2.069 -5.442 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.897 -1.977 -6.693 1.00 0.00 H new ATOM 426 N ASP A 33 -4.618 -4.776 -8.781 1.00 0.00 N ATOM 427 CA ASP A 33 -5.206 -5.426 -9.946 1.00 0.00 C ATOM 428 C ASP A 33 -6.729 -5.355 -9.897 1.00 0.00 C ATOM 429 O ASP A 33 -7.387 -5.211 -10.927 1.00 0.00 O ATOM 430 CB ASP A 33 -4.754 -6.885 -10.025 1.00 0.00 C ATOM 431 CG ASP A 33 -3.268 -7.017 -10.296 1.00 0.00 C ATOM 432 OD1 ASP A 33 -2.473 -6.413 -9.547 1.00 0.00 O ATOM 433 OD2 ASP A 33 -2.901 -7.723 -11.259 1.00 0.00 O ATOM 0 H ASP A 33 -4.121 -5.407 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.864 -4.899 -10.837 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.996 -7.388 -9.089 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.311 -7.393 -10.813 1.00 0.00 H new ATOM 438 N ASN A 34 -7.283 -5.457 -8.693 1.00 0.00 N ATOM 439 CA ASN A 34 -8.729 -5.406 -8.510 1.00 0.00 C ATOM 440 C ASN A 34 -9.305 -4.117 -9.088 1.00 0.00 C ATOM 441 O ASN A 34 -8.983 -3.012 -8.649 1.00 0.00 O ATOM 442 CB ASN A 34 -9.080 -5.514 -7.025 1.00 0.00 C ATOM 443 CG ASN A 34 -10.551 -5.808 -6.799 1.00 0.00 C ATOM 444 OD1 ASN A 34 -11.319 -5.954 -7.749 1.00 0.00 O ATOM 445 ND2 ASN A 34 -10.948 -5.896 -5.535 1.00 0.00 N ATOM 0 H ASN A 34 -6.753 -5.575 -7.830 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.168 -6.250 -9.042 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.480 -6.302 -6.569 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.817 -4.583 -6.523 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.926 -6.092 -5.320 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.275 -5.768 -4.779 1.00 0.00 H new ATOM 452 N PRO A 35 -10.178 -4.258 -10.096 1.00 0.00 N ATOM 453 CA PRO A 35 -10.819 -3.116 -10.755 1.00 0.00 C ATOM 454 C PRO A 35 -11.827 -2.416 -9.851 1.00 0.00 C ATOM 455 O PRO A 35 -12.107 -1.229 -10.020 1.00 0.00 O ATOM 456 CB PRO A 35 -11.527 -3.750 -11.955 1.00 0.00 C ATOM 457 CG PRO A 35 -11.767 -5.164 -11.550 1.00 0.00 C ATOM 458 CD PRO A 35 -10.608 -5.545 -10.670 1.00 0.00 C ATOM 0 HA PRO A 35 -10.098 -2.345 -11.027 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.463 -3.238 -12.178 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.911 -3.694 -12.853 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.712 -5.262 -11.015 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.825 -5.815 -12.422 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.907 -6.251 -9.895 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.809 -6.018 -11.241 1.00 0.00 H new ATOM 466 N ASP A 36 -12.368 -3.157 -8.891 1.00 0.00 N ATOM 467 CA ASP A 36 -13.345 -2.606 -7.958 1.00 0.00 C ATOM 468 C ASP A 36 -12.665 -1.713 -6.924 1.00 0.00 C ATOM 469 O ASP A 36 -13.195 -0.668 -6.547 1.00 0.00 O ATOM 470 CB ASP A 36 -14.104 -3.733 -7.256 1.00 0.00 C ATOM 471 CG ASP A 36 -15.091 -4.426 -8.174 1.00 0.00 C ATOM 472 OD1 ASP A 36 -15.759 -3.726 -8.964 1.00 0.00 O ATOM 473 OD2 ASP A 36 -15.194 -5.669 -8.105 1.00 0.00 O ATOM 0 H ASP A 36 -12.147 -4.141 -8.738 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.052 -2.001 -8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.391 -4.465 -6.875 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.636 -3.328 -6.395 1.00 0.00 H new ATOM 478 N CYS A 37 -11.489 -2.132 -6.470 1.00 0.00 N ATOM 479 CA CYS A 37 -10.737 -1.372 -5.479 1.00 0.00 C ATOM 480 C CYS A 37 -10.892 0.128 -5.711 1.00 0.00 C ATOM 481 O CYS A 37 -11.100 0.574 -6.840 1.00 0.00 O ATOM 482 CB CYS A 37 -9.257 -1.756 -5.527 1.00 0.00 C ATOM 483 SG CYS A 37 -8.324 -1.314 -4.026 1.00 0.00 S ATOM 0 H CYS A 37 -11.036 -2.994 -6.773 1.00 0.00 H new ATOM 0 HA CYS A 37 -11.136 -1.613 -4.494 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -9.177 -2.831 -5.688 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.794 -1.270 -6.386 1.00 0.00 H new ATOM 488 N SER A 38 -10.789 0.902 -4.635 1.00 0.00 N ATOM 489 CA SER A 38 -10.922 2.351 -4.721 1.00 0.00 C ATOM 490 C SER A 38 -9.558 3.028 -4.619 1.00 0.00 C ATOM 491 O SER A 38 -9.261 3.965 -5.361 1.00 0.00 O ATOM 492 CB SER A 38 -11.843 2.867 -3.613 1.00 0.00 C ATOM 493 OG SER A 38 -13.120 2.256 -3.687 1.00 0.00 O ATOM 0 H SER A 38 -10.614 0.550 -3.694 1.00 0.00 H new ATOM 0 HA SER A 38 -11.359 2.594 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.395 2.665 -2.640 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.948 3.949 -3.697 1.00 0.00 H new ATOM 0 HG SER A 38 -13.690 2.601 -2.968 1.00 0.00 H new ATOM 499 N ILE A 39 -8.733 2.547 -3.696 1.00 0.00 N ATOM 500 CA ILE A 39 -7.401 3.104 -3.497 1.00 0.00 C ATOM 501 C ILE A 39 -6.481 2.759 -4.664 1.00 0.00 C ATOM 502 O ILE A 39 -5.850 3.638 -5.250 1.00 0.00 O ATOM 503 CB ILE A 39 -6.766 2.593 -2.190 1.00 0.00 C ATOM 504 CG1 ILE A 39 -7.635 2.979 -0.991 1.00 0.00 C ATOM 505 CG2 ILE A 39 -5.359 3.150 -2.032 1.00 0.00 C ATOM 506 CD1 ILE A 39 -7.248 2.270 0.288 1.00 0.00 C ATOM 0 H ILE A 39 -8.963 1.772 -3.074 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.518 4.186 -3.436 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.703 1.506 -2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.567 4.056 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.677 2.755 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.923 2.780 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.745 2.831 -2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.400 4.239 -2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.906 2.592 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.343 1.193 0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.216 2.514 0.541 1.00 0.00 H new ATOM 518 N GLU A 40 -6.413 1.474 -4.997 1.00 0.00 N ATOM 519 CA GLU A 40 -5.571 1.014 -6.095 1.00 0.00 C ATOM 520 C GLU A 40 -4.231 1.744 -6.097 1.00 0.00 C ATOM 521 O GLU A 40 -3.686 2.059 -7.154 1.00 0.00 O ATOM 522 CB GLU A 40 -6.281 1.225 -7.434 1.00 0.00 C ATOM 523 CG GLU A 40 -7.797 1.219 -7.327 1.00 0.00 C ATOM 524 CD GLU A 40 -8.468 0.689 -8.579 1.00 0.00 C ATOM 525 OE1 GLU A 40 -7.858 -0.159 -9.264 1.00 0.00 O ATOM 526 OE2 GLU A 40 -9.601 1.121 -8.874 1.00 0.00 O ATOM 0 H GLU A 40 -6.930 0.734 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.384 -0.051 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.959 2.175 -7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.971 0.443 -8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.095 0.609 -6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.148 2.233 -7.133 1.00 0.00 H new ATOM 533 N TRP A 41 -3.708 2.009 -4.905 1.00 0.00 N ATOM 534 CA TRP A 41 -2.432 2.703 -4.768 1.00 0.00 C ATOM 535 C TRP A 41 -1.905 2.597 -3.341 1.00 0.00 C ATOM 536 O TRP A 41 -2.579 2.993 -2.390 1.00 0.00 O ATOM 537 CB TRP A 41 -2.583 4.173 -5.162 1.00 0.00 C ATOM 538 CG TRP A 41 -2.655 4.387 -6.643 1.00 0.00 C ATOM 539 CD1 TRP A 41 -3.759 4.732 -7.369 1.00 0.00 C ATOM 540 CD2 TRP A 41 -1.578 4.268 -7.580 1.00 0.00 C ATOM 541 NE1 TRP A 41 -3.434 4.835 -8.700 1.00 0.00 N ATOM 542 CE2 TRP A 41 -2.101 4.556 -8.855 1.00 0.00 C ATOM 543 CE3 TRP A 41 -0.222 3.949 -7.464 1.00 0.00 C ATOM 544 CZ2 TRP A 41 -1.316 4.532 -10.005 1.00 0.00 C ATOM 545 CZ3 TRP A 41 0.556 3.926 -8.606 1.00 0.00 C ATOM 546 CH2 TRP A 41 0.008 4.217 -9.862 1.00 0.00 C ATOM 0 H TRP A 41 -4.147 1.754 -4.020 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.714 2.227 -5.436 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.485 4.575 -4.700 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.741 4.737 -4.761 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -4.743 4.899 -6.957 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -4.080 5.079 -9.451 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.210 3.725 -6.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.737 4.754 -10.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.605 3.679 -8.529 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.643 4.192 -10.735 1.00 0.00 H new ATOM 557 N PHE A 42 -0.698 2.060 -3.199 1.00 0.00 N ATOM 558 CA PHE A 42 -0.082 1.902 -1.887 1.00 0.00 C ATOM 559 C PHE A 42 1.431 2.086 -1.971 1.00 0.00 C ATOM 560 O PHE A 42 1.979 2.335 -3.046 1.00 0.00 O ATOM 561 CB PHE A 42 -0.407 0.522 -1.311 1.00 0.00 C ATOM 562 CG PHE A 42 -1.878 0.281 -1.126 1.00 0.00 C ATOM 563 CD1 PHE A 42 -2.700 0.058 -2.219 1.00 0.00 C ATOM 564 CD2 PHE A 42 -2.439 0.279 0.141 1.00 0.00 C ATOM 565 CE1 PHE A 42 -4.054 -0.165 -2.052 1.00 0.00 C ATOM 566 CE2 PHE A 42 -3.792 0.058 0.314 1.00 0.00 C ATOM 567 CZ PHE A 42 -4.601 -0.164 -0.784 1.00 0.00 C ATOM 0 H PHE A 42 -0.127 1.727 -3.976 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.488 2.669 -1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.002 -0.244 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.095 0.411 -0.350 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.278 0.058 -3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.812 0.452 1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.683 -0.340 -2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.217 0.059 1.307 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.659 -0.336 -0.651 1.00 0.00 H new ATOM 577 N HIS A 43 2.100 1.964 -0.829 1.00 0.00 N ATOM 578 CA HIS A 43 3.550 2.117 -0.772 1.00 0.00 C ATOM 579 C HIS A 43 4.229 0.774 -0.525 1.00 0.00 C ATOM 580 O HIS A 43 3.831 0.020 0.363 1.00 0.00 O ATOM 581 CB HIS A 43 3.936 3.107 0.327 1.00 0.00 C ATOM 582 CG HIS A 43 3.186 4.402 0.257 1.00 0.00 C ATOM 583 ND1 HIS A 43 2.410 4.878 1.293 1.00 0.00 N ATOM 584 CD2 HIS A 43 3.098 5.322 -0.731 1.00 0.00 C ATOM 585 CE1 HIS A 43 1.875 6.035 0.943 1.00 0.00 C ATOM 586 NE2 HIS A 43 2.278 6.327 -0.280 1.00 0.00 N ATOM 0 H HIS A 43 1.662 1.760 0.069 1.00 0.00 H new ATOM 0 HA HIS A 43 3.888 2.503 -1.734 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.759 2.646 1.299 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.005 3.311 0.262 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.583 5.275 -1.695 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.220 6.639 1.553 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.022 7.163 -0.805 1.00 0.00 H new ATOM 594 N PHE A 44 5.255 0.480 -1.316 1.00 0.00 N ATOM 595 CA PHE A 44 5.989 -0.773 -1.184 1.00 0.00 C ATOM 596 C PHE A 44 6.258 -1.094 0.283 1.00 0.00 C ATOM 597 O PHE A 44 5.703 -2.044 0.834 1.00 0.00 O ATOM 598 CB PHE A 44 7.310 -0.699 -1.952 1.00 0.00 C ATOM 599 CG PHE A 44 7.177 -1.044 -3.408 1.00 0.00 C ATOM 600 CD1 PHE A 44 6.205 -0.441 -4.191 1.00 0.00 C ATOM 601 CD2 PHE A 44 8.024 -1.970 -3.994 1.00 0.00 C ATOM 602 CE1 PHE A 44 6.080 -0.757 -5.530 1.00 0.00 C ATOM 603 CE2 PHE A 44 7.905 -2.290 -5.334 1.00 0.00 C ATOM 604 CZ PHE A 44 6.932 -1.682 -6.103 1.00 0.00 C ATOM 0 H PHE A 44 5.597 1.093 -2.056 1.00 0.00 H new ATOM 0 HA PHE A 44 5.376 -1.570 -1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.718 0.308 -1.861 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.028 -1.377 -1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.538 0.284 -3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.787 -2.448 -3.397 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.317 -0.282 -6.129 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.572 -3.014 -5.779 1.00 0.00 H new ATOM 0 HZ PHE A 44 6.837 -1.929 -7.150 1.00 0.00 H new ATOM 614 N ALA A 45 7.114 -0.293 0.910 1.00 0.00 N ATOM 615 CA ALA A 45 7.456 -0.490 2.313 1.00 0.00 C ATOM 616 C ALA A 45 6.221 -0.839 3.136 1.00 0.00 C ATOM 617 O ALA A 45 6.205 -1.835 3.860 1.00 0.00 O ATOM 618 CB ALA A 45 8.131 0.754 2.871 1.00 0.00 C ATOM 0 H ALA A 45 7.583 0.498 0.468 1.00 0.00 H new ATOM 0 HA ALA A 45 8.151 -1.327 2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.381 0.593 3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.042 0.957 2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.454 1.604 2.786 1.00 0.00 H new ATOM 624 N CYS A 46 5.187 -0.012 3.022 1.00 0.00 N ATOM 625 CA CYS A 46 3.947 -0.231 3.756 1.00 0.00 C ATOM 626 C CYS A 46 3.395 -1.628 3.487 1.00 0.00 C ATOM 627 O CYS A 46 3.124 -2.390 4.415 1.00 0.00 O ATOM 628 CB CYS A 46 2.907 0.822 3.368 1.00 0.00 C ATOM 629 SG CYS A 46 2.979 2.342 4.371 1.00 0.00 S ATOM 0 H CYS A 46 5.184 0.817 2.427 1.00 0.00 H new ATOM 0 HA CYS A 46 4.164 -0.143 4.820 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.045 1.085 2.319 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.912 0.386 3.459 1.00 0.00 H new ATOM 634 N VAL A 47 3.232 -1.959 2.210 1.00 0.00 N ATOM 635 CA VAL A 47 2.715 -3.264 1.818 1.00 0.00 C ATOM 636 C VAL A 47 3.823 -4.311 1.797 1.00 0.00 C ATOM 637 O VAL A 47 3.793 -5.246 0.999 1.00 0.00 O ATOM 638 CB VAL A 47 2.049 -3.210 0.430 1.00 0.00 C ATOM 639 CG1 VAL A 47 0.848 -2.277 0.450 1.00 0.00 C ATOM 640 CG2 VAL A 47 3.054 -2.777 -0.627 1.00 0.00 C ATOM 0 H VAL A 47 3.451 -1.341 1.429 1.00 0.00 H new ATOM 0 HA VAL A 47 1.968 -3.544 2.561 1.00 0.00 H new ATOM 0 HB VAL A 47 1.698 -4.210 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.390 -2.252 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.120 -2.636 1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.172 -1.273 0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.566 -2.744 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.438 -1.787 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.879 -3.489 -0.658 1.00 0.00 H new ATOM 650 N GLY A 48 4.802 -4.146 2.682 1.00 0.00 N ATOM 651 CA GLY A 48 5.907 -5.085 2.749 1.00 0.00 C ATOM 652 C GLY A 48 6.271 -5.650 1.390 1.00 0.00 C ATOM 653 O GLY A 48 6.202 -6.861 1.175 1.00 0.00 O ATOM 0 H GLY A 48 4.850 -3.379 3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.777 -4.587 3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.645 -5.903 3.421 1.00 0.00 H new ATOM 657 N LEU A 49 6.657 -4.774 0.470 1.00 0.00 N ATOM 658 CA LEU A 49 7.032 -5.192 -0.876 1.00 0.00 C ATOM 659 C LEU A 49 8.506 -4.909 -1.144 1.00 0.00 C ATOM 660 O LEU A 49 8.856 -3.888 -1.737 1.00 0.00 O ATOM 661 CB LEU A 49 6.166 -4.475 -1.914 1.00 0.00 C ATOM 662 CG LEU A 49 4.935 -5.238 -2.404 1.00 0.00 C ATOM 663 CD1 LEU A 49 4.176 -4.420 -3.437 1.00 0.00 C ATOM 664 CD2 LEU A 49 5.339 -6.587 -2.980 1.00 0.00 C ATOM 0 H LEU A 49 6.719 -3.769 0.631 1.00 0.00 H new ATOM 0 HA LEU A 49 6.868 -6.267 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.836 -3.527 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.789 -4.238 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 49 4.276 -5.411 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.303 -4.979 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.854 -3.479 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.826 -4.215 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.451 -7.117 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.019 -6.436 -3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.838 -7.177 -2.211 1.00 0.00 H new ATOM 676 N THR A 50 9.368 -5.820 -0.704 1.00 0.00 N ATOM 677 CA THR A 50 10.805 -5.670 -0.898 1.00 0.00 C ATOM 678 C THR A 50 11.127 -5.253 -2.328 1.00 0.00 C ATOM 679 O THR A 50 11.996 -4.412 -2.561 1.00 0.00 O ATOM 680 CB THR A 50 11.555 -6.975 -0.574 1.00 0.00 C ATOM 681 OG1 THR A 50 11.169 -7.455 0.719 1.00 0.00 O ATOM 682 CG2 THR A 50 13.061 -6.758 -0.611 1.00 0.00 C ATOM 0 H THR A 50 9.096 -6.670 -0.211 1.00 0.00 H new ATOM 0 HA THR A 50 11.136 -4.890 -0.212 1.00 0.00 H new ATOM 0 HB THR A 50 11.292 -7.716 -1.329 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.649 -8.286 0.916 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.569 -7.694 -0.379 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.356 -6.422 -1.605 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.338 -6.003 0.124 1.00 0.00 H new ATOM 690 N THR A 51 10.421 -5.847 -3.286 1.00 0.00 N ATOM 691 CA THR A 51 10.632 -5.537 -4.694 1.00 0.00 C ATOM 692 C THR A 51 9.322 -5.598 -5.472 1.00 0.00 C ATOM 693 O THR A 51 8.338 -6.172 -5.007 1.00 0.00 O ATOM 694 CB THR A 51 11.643 -6.505 -5.336 1.00 0.00 C ATOM 695 OG1 THR A 51 11.297 -7.858 -5.018 1.00 0.00 O ATOM 696 CG2 THR A 51 13.056 -6.210 -4.854 1.00 0.00 C ATOM 0 H THR A 51 9.698 -6.545 -3.112 1.00 0.00 H new ATOM 0 HA THR A 51 11.031 -4.524 -4.739 1.00 0.00 H new ATOM 0 HB THR A 51 11.609 -6.367 -6.417 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.944 -8.467 -5.432 1.00 0.00 H new ATOM 0 HG21 THR A 51 13.753 -6.906 -5.321 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.327 -5.189 -5.124 1.00 0.00 H new ATOM 0 HG23 THR A 51 13.102 -6.323 -3.771 1.00 0.00 H new ATOM 704 N LYS A 52 9.318 -5.003 -6.661 1.00 0.00 N ATOM 705 CA LYS A 52 8.130 -4.991 -7.506 1.00 0.00 C ATOM 706 C LYS A 52 7.570 -6.400 -7.677 1.00 0.00 C ATOM 707 O LYS A 52 8.245 -7.308 -8.162 1.00 0.00 O ATOM 708 CB LYS A 52 8.459 -4.392 -8.875 1.00 0.00 C ATOM 709 CG LYS A 52 7.274 -3.717 -9.544 1.00 0.00 C ATOM 710 CD LYS A 52 7.692 -2.981 -10.807 1.00 0.00 C ATOM 711 CE LYS A 52 6.586 -2.066 -11.310 1.00 0.00 C ATOM 712 NZ LYS A 52 6.382 -0.896 -10.411 1.00 0.00 N ATOM 0 H LYS A 52 10.124 -4.523 -7.061 1.00 0.00 H new ATOM 0 HA LYS A 52 7.374 -4.375 -7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.263 -3.665 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.833 -5.181 -9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.519 -4.464 -9.790 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.813 -3.016 -8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.589 -2.394 -10.608 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.949 -3.703 -11.582 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.833 -1.715 -12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.656 -2.630 -11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.829 -0.169 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.869 -1.199 -9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.305 -0.503 -10.138 1.00 0.00 H new ATOM 726 N PRO A 53 6.305 -6.588 -7.272 1.00 0.00 N ATOM 727 CA PRO A 53 5.625 -7.883 -7.373 1.00 0.00 C ATOM 728 C PRO A 53 5.324 -8.268 -8.817 1.00 0.00 C ATOM 729 O PRO A 53 4.999 -7.415 -9.643 1.00 0.00 O ATOM 730 CB PRO A 53 4.325 -7.663 -6.596 1.00 0.00 C ATOM 731 CG PRO A 53 4.082 -6.195 -6.672 1.00 0.00 C ATOM 732 CD PRO A 53 5.440 -5.550 -6.685 1.00 0.00 C ATOM 0 HA PRO A 53 6.237 -8.696 -6.984 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.501 -8.224 -7.036 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.420 -7.995 -5.562 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.520 -5.939 -7.570 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.495 -5.852 -5.820 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.446 -4.638 -7.281 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.765 -5.277 -5.681 1.00 0.00 H new ATOM 740 N ARG A 54 5.433 -9.559 -9.116 1.00 0.00 N ATOM 741 CA ARG A 54 5.173 -10.057 -10.461 1.00 0.00 C ATOM 742 C ARG A 54 3.714 -10.479 -10.612 1.00 0.00 C ATOM 743 O ARG A 54 2.930 -10.388 -9.668 1.00 0.00 O ATOM 744 CB ARG A 54 6.092 -11.238 -10.777 1.00 0.00 C ATOM 745 CG ARG A 54 7.391 -10.834 -11.456 1.00 0.00 C ATOM 746 CD ARG A 54 7.146 -10.314 -12.864 1.00 0.00 C ATOM 747 NE ARG A 54 7.233 -11.376 -13.862 1.00 0.00 N ATOM 748 CZ ARG A 54 8.372 -11.761 -14.428 1.00 0.00 C ATOM 749 NH1 ARG A 54 9.513 -11.175 -14.094 1.00 0.00 N ATOM 750 NH2 ARG A 54 8.370 -12.735 -15.329 1.00 0.00 N ATOM 0 H ARG A 54 5.700 -10.279 -8.444 1.00 0.00 H new ATOM 0 HA ARG A 54 5.375 -9.250 -11.165 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.324 -11.765 -9.851 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.560 -11.940 -11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.888 -10.065 -10.864 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.064 -11.691 -11.495 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.161 -9.850 -12.913 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.875 -9.538 -13.096 1.00 0.00 H new ATOM 0 HE ARG A 54 6.373 -11.848 -14.140 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.518 -10.427 -13.401 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.386 -11.472 -14.530 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.494 -13.189 -15.588 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.245 -13.030 -15.763 1.00 0.00 H new ATOM 764 N GLY A 55 3.357 -10.941 -11.806 1.00 0.00 N ATOM 765 CA GLY A 55 1.994 -11.369 -12.059 1.00 0.00 C ATOM 766 C GLY A 55 0.970 -10.374 -11.551 1.00 0.00 C ATOM 767 O GLY A 55 1.015 -9.193 -11.897 1.00 0.00 O ATOM 0 H GLY A 55 3.988 -11.027 -12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.855 -11.514 -13.130 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.825 -12.335 -11.582 1.00 0.00 H new ATOM 771 N LYS A 56 0.042 -10.851 -10.727 1.00 0.00 N ATOM 772 CA LYS A 56 -0.999 -9.995 -10.170 1.00 0.00 C ATOM 773 C LYS A 56 -0.737 -9.711 -8.694 1.00 0.00 C ATOM 774 O LYS A 56 -0.349 -10.603 -7.940 1.00 0.00 O ATOM 775 CB LYS A 56 -2.371 -10.652 -10.338 1.00 0.00 C ATOM 776 CG LYS A 56 -2.547 -11.914 -9.511 1.00 0.00 C ATOM 777 CD LYS A 56 -3.819 -12.655 -9.888 1.00 0.00 C ATOM 778 CE LYS A 56 -3.782 -14.100 -9.416 1.00 0.00 C ATOM 779 NZ LYS A 56 -2.763 -14.898 -10.151 1.00 0.00 N ATOM 0 H LYS A 56 -0.010 -11.826 -10.431 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.987 -9.049 -10.712 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.144 -9.935 -10.061 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.523 -10.893 -11.390 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.687 -12.568 -9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.576 -11.655 -8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.679 -12.150 -9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.950 -12.628 -10.970 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.564 -14.128 -8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.765 -14.552 -9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.003 -15.908 -10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.746 -14.605 -11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.826 -14.739 -9.728 1.00 0.00 H new ATOM 793 N TRP A 57 -0.953 -8.465 -8.290 1.00 0.00 N ATOM 794 CA TRP A 57 -0.742 -8.064 -6.903 1.00 0.00 C ATOM 795 C TRP A 57 -2.003 -7.435 -6.320 1.00 0.00 C ATOM 796 O TRP A 57 -2.488 -6.419 -6.817 1.00 0.00 O ATOM 797 CB TRP A 57 0.425 -7.079 -6.808 1.00 0.00 C ATOM 798 CG TRP A 57 0.679 -6.593 -5.413 1.00 0.00 C ATOM 799 CD1 TRP A 57 1.528 -7.142 -4.495 1.00 0.00 C ATOM 800 CD2 TRP A 57 0.077 -5.459 -4.778 1.00 0.00 C ATOM 801 NE1 TRP A 57 1.490 -6.418 -3.328 1.00 0.00 N ATOM 802 CE2 TRP A 57 0.608 -5.381 -3.476 1.00 0.00 C ATOM 803 CE3 TRP A 57 -0.857 -4.502 -5.184 1.00 0.00 C ATOM 804 CZ2 TRP A 57 0.234 -4.384 -2.579 1.00 0.00 C ATOM 805 CZ3 TRP A 57 -1.228 -3.514 -4.292 1.00 0.00 C ATOM 806 CH2 TRP A 57 -0.682 -3.460 -3.002 1.00 0.00 C ATOM 0 H TRP A 57 -1.274 -7.715 -8.902 1.00 0.00 H new ATOM 0 HA TRP A 57 -0.503 -8.957 -6.325 1.00 0.00 H new ATOM 0 HB2 TRP A 57 1.327 -7.558 -7.188 1.00 0.00 H new ATOM 0 HB3 TRP A 57 0.222 -6.223 -7.452 1.00 0.00 H new ATOM 0 HD1 TRP A 57 2.139 -8.017 -4.662 1.00 0.00 H new ATOM 0 HE1 TRP A 57 2.031 -6.620 -2.487 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.281 -4.534 -6.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 0.652 -4.342 -1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -1.951 -2.771 -4.594 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -0.990 -2.674 -2.329 1.00 0.00 H new ATOM 817 N PHE A 58 -2.529 -8.046 -5.263 1.00 0.00 N ATOM 818 CA PHE A 58 -3.734 -7.546 -4.613 1.00 0.00 C ATOM 819 C PHE A 58 -3.396 -6.866 -3.289 1.00 0.00 C ATOM 820 O PHE A 58 -2.843 -7.489 -2.382 1.00 0.00 O ATOM 821 CB PHE A 58 -4.722 -8.689 -4.374 1.00 0.00 C ATOM 822 CG PHE A 58 -5.166 -9.371 -5.637 1.00 0.00 C ATOM 823 CD1 PHE A 58 -6.105 -8.778 -6.467 1.00 0.00 C ATOM 824 CD2 PHE A 58 -4.645 -10.604 -5.995 1.00 0.00 C ATOM 825 CE1 PHE A 58 -6.516 -9.404 -7.628 1.00 0.00 C ATOM 826 CE2 PHE A 58 -5.052 -11.234 -7.156 1.00 0.00 C ATOM 827 CZ PHE A 58 -5.988 -10.633 -7.974 1.00 0.00 C ATOM 0 H PHE A 58 -2.139 -8.888 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.193 -6.810 -5.273 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.261 -9.425 -3.716 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.597 -8.300 -3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.520 -7.816 -6.203 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.912 -11.078 -5.359 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.250 -8.933 -8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.638 -12.195 -7.423 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.307 -11.123 -8.882 1.00 0.00 H new ATOM 837 N CYS A 59 -3.732 -5.585 -3.186 1.00 0.00 N ATOM 838 CA CYS A 59 -3.464 -4.819 -1.975 1.00 0.00 C ATOM 839 C CYS A 59 -3.918 -5.584 -0.735 1.00 0.00 C ATOM 840 O CYS A 59 -4.811 -6.430 -0.790 1.00 0.00 O ATOM 841 CB CYS A 59 -4.169 -3.463 -2.037 1.00 0.00 C ATOM 842 SG CYS A 59 -5.954 -3.537 -1.680 1.00 0.00 S ATOM 0 H CYS A 59 -4.191 -5.055 -3.927 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.388 -4.659 -1.908 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.695 -2.786 -1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.025 -3.036 -3.029 1.00 0.00 H new ATOM 847 N PRO A 60 -3.289 -5.282 0.410 1.00 0.00 N ATOM 848 CA PRO A 60 -3.611 -5.930 1.685 1.00 0.00 C ATOM 849 C PRO A 60 -4.981 -5.517 2.214 1.00 0.00 C ATOM 850 O PRO A 60 -5.410 -5.973 3.274 1.00 0.00 O ATOM 851 CB PRO A 60 -2.505 -5.438 2.622 1.00 0.00 C ATOM 852 CG PRO A 60 -2.062 -4.141 2.038 1.00 0.00 C ATOM 853 CD PRO A 60 -2.214 -4.285 0.549 1.00 0.00 C ATOM 0 HA PRO A 60 -3.657 -7.015 1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.876 -5.308 3.639 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.682 -6.151 2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.667 -3.316 2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.028 -3.925 2.306 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.481 -3.338 0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.289 -4.623 0.082 1.00 0.00 H new ATOM 861 N ARG A 61 -5.662 -4.653 1.470 1.00 0.00 N ATOM 862 CA ARG A 61 -6.983 -4.178 1.865 1.00 0.00 C ATOM 863 C ARG A 61 -8.078 -4.961 1.148 1.00 0.00 C ATOM 864 O ARG A 61 -9.216 -5.028 1.615 1.00 0.00 O ATOM 865 CB ARG A 61 -7.124 -2.686 1.560 1.00 0.00 C ATOM 866 CG ARG A 61 -6.246 -1.801 2.429 1.00 0.00 C ATOM 867 CD ARG A 61 -6.984 -1.335 3.675 1.00 0.00 C ATOM 868 NE ARG A 61 -8.241 -0.668 3.349 1.00 0.00 N ATOM 869 CZ ARG A 61 -9.261 -0.569 4.194 1.00 0.00 C ATOM 870 NH1 ARG A 61 -9.172 -1.091 5.410 1.00 0.00 N ATOM 871 NH2 ARG A 61 -10.372 0.055 3.825 1.00 0.00 N ATOM 0 H ARG A 61 -5.321 -4.267 0.590 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.092 -4.334 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.876 -2.513 0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.165 -2.393 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.350 -2.349 2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.918 -0.935 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.184 -2.191 4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.348 -0.653 4.240 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.341 -0.255 2.422 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.319 -1.570 5.698 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.957 -1.014 6.057 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.444 0.459 2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.155 0.130 4.475 1.00 0.00 H new ATOM 885 N CYS A 62 -7.728 -5.553 0.010 1.00 0.00 N ATOM 886 CA CYS A 62 -8.681 -6.330 -0.772 1.00 0.00 C ATOM 887 C CYS A 62 -8.579 -7.815 -0.434 1.00 0.00 C ATOM 888 O CYS A 62 -9.569 -8.448 -0.066 1.00 0.00 O ATOM 889 CB CYS A 62 -8.437 -6.119 -2.268 1.00 0.00 C ATOM 890 SG CYS A 62 -8.863 -4.451 -2.863 1.00 0.00 S ATOM 0 H CYS A 62 -6.791 -5.509 -0.390 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.685 -5.986 -0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.387 -6.313 -2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -9.019 -6.852 -2.827 1.00 0.00 H new ATOM 895 N SER A 63 -7.376 -8.364 -0.561 1.00 0.00 N ATOM 896 CA SER A 63 -7.145 -9.775 -0.273 1.00 0.00 C ATOM 897 C SER A 63 -7.818 -10.179 1.035 1.00 0.00 C ATOM 898 O SER A 63 -8.316 -11.296 1.169 1.00 0.00 O ATOM 899 CB SER A 63 -5.644 -10.063 -0.197 1.00 0.00 C ATOM 900 OG SER A 63 -5.396 -11.322 0.403 1.00 0.00 O ATOM 0 H SER A 63 -6.546 -7.854 -0.861 1.00 0.00 H new ATOM 0 HA SER A 63 -7.580 -10.362 -1.082 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.216 -10.044 -1.199 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.149 -9.279 0.377 1.00 0.00 H new ATOM 0 HG SER A 63 -4.430 -11.483 0.438 1.00 0.00 H new ATOM 906 N GLN A 64 -7.828 -9.261 1.997 1.00 0.00 N ATOM 907 CA GLN A 64 -8.439 -9.522 3.295 1.00 0.00 C ATOM 908 C GLN A 64 -9.950 -9.328 3.233 1.00 0.00 C ATOM 909 O GLN A 64 -10.551 -8.771 4.151 1.00 0.00 O ATOM 910 CB GLN A 64 -7.838 -8.602 4.359 1.00 0.00 C ATOM 911 CG GLN A 64 -8.168 -9.021 5.782 1.00 0.00 C ATOM 912 CD GLN A 64 -7.370 -10.228 6.235 1.00 0.00 C ATOM 913 OE1 GLN A 64 -6.962 -11.058 5.422 1.00 0.00 O ATOM 914 NE2 GLN A 64 -7.141 -10.331 7.539 1.00 0.00 N ATOM 0 H GLN A 64 -7.420 -8.331 1.902 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.234 -10.558 3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.755 -8.579 4.238 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -8.199 -7.587 4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.973 -8.187 6.457 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.232 -9.246 5.853 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.498 -9.620 8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.608 -11.121 7.902 1.00 0.00 H new ATOM 923 N GLU A 65 -10.558 -9.793 2.146 1.00 0.00 N ATOM 924 CA GLU A 65 -11.999 -9.669 1.966 1.00 0.00 C ATOM 925 C GLU A 65 -12.706 -10.975 2.318 1.00 0.00 C ATOM 926 O GLU A 65 -13.774 -10.970 2.929 1.00 0.00 O ATOM 927 CB GLU A 65 -12.323 -9.274 0.523 1.00 0.00 C ATOM 928 CG GLU A 65 -11.846 -10.284 -0.506 1.00 0.00 C ATOM 929 CD GLU A 65 -12.297 -9.942 -1.913 1.00 0.00 C ATOM 930 OE1 GLU A 65 -12.177 -8.762 -2.304 1.00 0.00 O ATOM 931 OE2 GLU A 65 -12.771 -10.854 -2.622 1.00 0.00 O ATOM 0 H GLU A 65 -10.075 -10.259 1.378 1.00 0.00 H new ATOM 0 HA GLU A 65 -12.357 -8.889 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.401 -9.148 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.868 -8.307 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.758 -10.337 -0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.219 -11.273 -0.239 1.00 0.00 H new ATOM 938 N SER A 66 -12.101 -12.092 1.927 1.00 0.00 N ATOM 939 CA SER A 66 -12.674 -13.406 2.197 1.00 0.00 C ATOM 940 C SER A 66 -12.018 -14.043 3.418 1.00 0.00 C ATOM 941 O SER A 66 -10.826 -13.862 3.663 1.00 0.00 O ATOM 942 CB SER A 66 -12.507 -14.318 0.980 1.00 0.00 C ATOM 943 OG SER A 66 -13.498 -15.330 0.962 1.00 0.00 O ATOM 0 H SER A 66 -11.215 -12.114 1.423 1.00 0.00 H new ATOM 0 HA SER A 66 -13.737 -13.277 2.402 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.570 -13.726 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.517 -14.774 0.996 1.00 0.00 H new ATOM 0 HG SER A 66 -13.371 -15.898 0.174 1.00 0.00 H new ATOM 949 N GLY A 67 -12.807 -14.792 4.182 1.00 0.00 N ATOM 950 CA GLY A 67 -12.287 -15.446 5.369 1.00 0.00 C ATOM 951 C GLY A 67 -11.023 -16.236 5.090 1.00 0.00 C ATOM 952 O GLY A 67 -10.702 -16.547 3.943 1.00 0.00 O ATOM 0 H GLY A 67 -13.797 -14.958 4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -12.082 -14.696 6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.047 -16.114 5.774 1.00 0.00 H new ATOM 956 N PRO A 68 -10.282 -16.571 6.156 1.00 0.00 N ATOM 957 CA PRO A 68 -9.034 -17.332 6.045 1.00 0.00 C ATOM 958 C PRO A 68 -9.274 -18.780 5.634 1.00 0.00 C ATOM 959 O PRO A 68 -10.092 -19.478 6.232 1.00 0.00 O ATOM 960 CB PRO A 68 -8.452 -17.267 7.460 1.00 0.00 C ATOM 961 CG PRO A 68 -9.632 -17.060 8.346 1.00 0.00 C ATOM 962 CD PRO A 68 -10.606 -16.232 7.552 1.00 0.00 C ATOM 0 HA PRO A 68 -8.374 -16.924 5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.923 -18.186 7.713 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.736 -16.451 7.557 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.075 -18.013 8.635 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.345 -16.550 9.266 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.639 -16.481 7.797 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.480 -15.167 7.747 1.00 0.00 H new ATOM 970 N SER A 69 -8.554 -19.227 4.610 1.00 0.00 N ATOM 971 CA SER A 69 -8.690 -20.592 4.116 1.00 0.00 C ATOM 972 C SER A 69 -7.615 -21.495 4.713 1.00 0.00 C ATOM 973 O SER A 69 -6.635 -21.018 5.285 1.00 0.00 O ATOM 974 CB SER A 69 -8.603 -20.616 2.589 1.00 0.00 C ATOM 975 OG SER A 69 -9.625 -19.826 2.007 1.00 0.00 O ATOM 0 H SER A 69 -7.870 -18.663 4.106 1.00 0.00 H new ATOM 0 HA SER A 69 -9.666 -20.967 4.422 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.628 -20.246 2.271 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.686 -21.643 2.233 1.00 0.00 H new ATOM 0 HG SER A 69 -9.546 -19.857 1.031 1.00 0.00 H new ATOM 981 N SER A 70 -7.807 -22.804 4.575 1.00 0.00 N ATOM 982 CA SER A 70 -6.857 -23.775 5.103 1.00 0.00 C ATOM 983 C SER A 70 -6.177 -24.540 3.971 1.00 0.00 C ATOM 984 O SER A 70 -6.840 -25.116 3.110 1.00 0.00 O ATOM 985 CB SER A 70 -7.565 -24.754 6.042 1.00 0.00 C ATOM 986 OG SER A 70 -8.252 -25.755 5.312 1.00 0.00 O ATOM 0 H SER A 70 -8.612 -23.215 4.102 1.00 0.00 H new ATOM 0 HA SER A 70 -6.094 -23.233 5.662 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.835 -25.219 6.705 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.269 -24.212 6.673 1.00 0.00 H new ATOM 0 HG SER A 70 -7.905 -25.788 4.396 1.00 0.00 H new ATOM 992 N GLY A 71 -4.847 -24.541 3.981 1.00 0.00 N ATOM 993 CA GLY A 71 -4.098 -25.238 2.952 1.00 0.00 C ATOM 994 C GLY A 71 -2.625 -25.358 3.288 1.00 0.00 C ATOM 995 O GLY A 71 -1.925 -24.346 3.285 1.00 0.00 O ATOM 0 H GLY A 71 -4.275 -24.072 4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.518 -26.234 2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.210 -24.710 2.005 1.00 0.00 H new TER 999 GLY A 71 HETATM 1000 ZN ZN A 201 2.105 4.246 3.486 1.00 0.00 ZN HETATM 1001 ZN ZN A 401 -7.041 -3.280 -3.712 1.00 0.00 ZN