USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 441 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 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -178:sc= 0.0131 (180deg=0.0128) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl 144:sc= -1.34 (180deg=-3.23!) USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -0.0434 (180deg=-0.298) USER MOD Single : A 14 HIS : no HD1:sc= -0.721 X(o=-0.72,f=-0.42) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0227 K(o=-0.023,f=-0.9) USER MOD Single : A 22 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 25 THR OG1 : rot -130:sc= -1.25 USER MOD Single : A 30 THR OG1 : rot 46:sc= 0.276 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -114:sc= -3.83! (180deg=-8.4!) USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= -1.51 (180deg=-2.52!) USER MOD Single : A 41 LYS NZ :NH3+ -121:sc=-0.00871 (180deg=-0.585) USER MOD Single : A 49 GLN : amide:sc= -2.48! C(o=-2.5!,f=-1.9!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.885 K(o=-0.89,f=-3.1!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.141 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.427 1.491 9.404 1.00 0.00 N ATOM 2 CA GLY A 1 21.320 2.311 8.211 1.00 0.00 C ATOM 3 C GLY A 1 22.673 2.737 7.678 1.00 0.00 C ATOM 4 O GLY A 1 22.994 2.494 6.515 1.00 0.00 O ATOM 0 H1 GLY A 1 20.477 1.197 9.710 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.000 0.648 9.196 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.881 2.039 10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.787 1.756 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.726 3.197 8.435 1.00 0.00 H new ATOM 8 N SER A 2 23.468 3.378 8.529 1.00 0.00 N ATOM 9 CA SER A 2 24.792 3.845 8.135 1.00 0.00 C ATOM 10 C SER A 2 25.666 2.679 7.681 1.00 0.00 C ATOM 11 O SER A 2 26.154 1.900 8.499 1.00 0.00 O ATOM 12 CB SER A 2 25.464 4.579 9.297 1.00 0.00 C ATOM 13 OG SER A 2 24.982 5.907 9.408 1.00 0.00 O ATOM 0 H SER A 2 23.218 3.586 9.496 1.00 0.00 H new ATOM 0 HA SER A 2 24.673 4.535 7.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.277 4.042 10.227 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.544 4.592 9.148 1.00 0.00 H new ATOM 0 HG SER A 2 25.425 6.354 10.159 1.00 0.00 H new ATOM 19 N SER A 3 25.859 2.568 6.371 1.00 0.00 N ATOM 20 CA SER A 3 26.670 1.496 5.806 1.00 0.00 C ATOM 21 C SER A 3 26.067 0.132 6.125 1.00 0.00 C ATOM 22 O SER A 3 26.776 -0.800 6.504 1.00 0.00 O ATOM 23 CB SER A 3 28.100 1.573 6.345 1.00 0.00 C ATOM 24 OG SER A 3 28.818 2.633 5.738 1.00 0.00 O ATOM 0 H SER A 3 25.465 3.207 5.681 1.00 0.00 H new ATOM 0 HA SER A 3 26.689 1.620 4.723 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.077 1.717 7.425 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.613 0.629 6.160 1.00 0.00 H new ATOM 0 HG SER A 3 29.728 2.662 6.101 1.00 0.00 H new ATOM 30 N GLY A 4 24.751 0.022 5.970 1.00 0.00 N ATOM 31 CA GLY A 4 24.073 -1.231 6.245 1.00 0.00 C ATOM 32 C GLY A 4 22.632 -1.227 5.774 1.00 0.00 C ATOM 33 O GLY A 4 21.748 -0.718 6.463 1.00 0.00 O ATOM 0 H GLY A 4 24.142 0.779 5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.609 -2.045 5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.101 -1.428 7.317 1.00 0.00 H new ATOM 37 N SER A 5 22.395 -1.794 4.596 1.00 0.00 N ATOM 38 CA SER A 5 21.052 -1.849 4.030 1.00 0.00 C ATOM 39 C SER A 5 20.540 -3.285 3.986 1.00 0.00 C ATOM 40 O SER A 5 19.978 -3.725 2.983 1.00 0.00 O ATOM 41 CB SER A 5 21.044 -1.249 2.622 1.00 0.00 C ATOM 42 OG SER A 5 22.040 -1.845 1.809 1.00 0.00 O ATOM 0 H SER A 5 23.115 -2.222 4.015 1.00 0.00 H new ATOM 0 HA SER A 5 20.390 -1.265 4.670 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.064 -1.394 2.167 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.213 -0.174 2.680 1.00 0.00 H new ATOM 0 HG SER A 5 22.014 -1.446 0.914 1.00 0.00 H new ATOM 48 N SER A 6 20.738 -4.011 5.082 1.00 0.00 N ATOM 49 CA SER A 6 20.299 -5.399 5.169 1.00 0.00 C ATOM 50 C SER A 6 18.783 -5.499 5.032 1.00 0.00 C ATOM 51 O SER A 6 18.056 -4.561 5.355 1.00 0.00 O ATOM 52 CB SER A 6 20.744 -6.014 6.497 1.00 0.00 C ATOM 53 OG SER A 6 22.151 -5.941 6.647 1.00 0.00 O ATOM 0 H SER A 6 21.199 -3.661 5.922 1.00 0.00 H new ATOM 0 HA SER A 6 20.758 -5.951 4.349 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.260 -5.493 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.424 -7.055 6.545 1.00 0.00 H new ATOM 0 HG SER A 6 22.410 -6.339 7.504 1.00 0.00 H new ATOM 59 N GLY A 7 18.313 -6.646 4.549 1.00 0.00 N ATOM 60 CA GLY A 7 16.887 -6.849 4.377 1.00 0.00 C ATOM 61 C GLY A 7 16.396 -6.394 3.016 1.00 0.00 C ATOM 62 O GLY A 7 16.639 -5.257 2.609 1.00 0.00 O ATOM 0 H GLY A 7 18.895 -7.437 4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.655 -7.906 4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.349 -6.306 5.154 1.00 0.00 H new ATOM 66 N HIS A 8 15.705 -7.283 2.310 1.00 0.00 N ATOM 67 CA HIS A 8 15.180 -6.966 0.987 1.00 0.00 C ATOM 68 C HIS A 8 14.122 -5.871 1.070 1.00 0.00 C ATOM 69 O HIS A 8 14.177 -4.866 0.361 1.00 0.00 O ATOM 70 CB HIS A 8 14.586 -8.217 0.338 1.00 0.00 C ATOM 71 CG HIS A 8 14.719 -8.238 -1.154 1.00 0.00 C ATOM 72 ND1 HIS A 8 14.990 -9.386 -1.869 1.00 0.00 N ATOM 73 CD2 HIS A 8 14.613 -7.244 -2.066 1.00 0.00 C ATOM 74 CE1 HIS A 8 15.048 -9.096 -3.157 1.00 0.00 C ATOM 75 NE2 HIS A 8 14.822 -7.802 -3.303 1.00 0.00 N ATOM 0 H HIS A 8 15.496 -8.228 2.632 1.00 0.00 H new ATOM 0 HA HIS A 8 16.005 -6.604 0.373 1.00 0.00 H new ATOM 0 HB2 HIS A 8 15.077 -9.098 0.751 1.00 0.00 H new ATOM 0 HB3 HIS A 8 13.531 -8.287 0.602 1.00 0.00 H new ATOM 0 HD2 HIS A 8 14.403 -6.205 -1.859 1.00 0.00 H new ATOM 0 HE1 HIS A 8 15.246 -9.797 -3.954 1.00 0.00 H new ATOM 0 HE2 HIS A 8 14.806 -7.300 -4.190 1.00 0.00 H new ATOM 83 N PRO A 9 13.133 -6.067 1.955 1.00 0.00 N ATOM 84 CA PRO A 9 12.044 -5.107 2.151 1.00 0.00 C ATOM 85 C PRO A 9 12.518 -3.820 2.818 1.00 0.00 C ATOM 86 O PRO A 9 13.114 -3.852 3.894 1.00 0.00 O ATOM 87 CB PRO A 9 11.071 -5.856 3.065 1.00 0.00 C ATOM 88 CG PRO A 9 11.918 -6.842 3.793 1.00 0.00 C ATOM 89 CD PRO A 9 13.004 -7.242 2.833 1.00 0.00 C ATOM 0 HA PRO A 9 11.604 -4.791 1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.573 -5.175 3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.290 -6.353 2.489 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.339 -6.403 4.697 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.332 -7.707 4.102 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.938 -7.461 3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.734 -8.136 2.271 1.00 0.00 H new ATOM 97 N MET A 10 12.248 -2.690 2.173 1.00 0.00 N ATOM 98 CA MET A 10 12.646 -1.393 2.706 1.00 0.00 C ATOM 99 C MET A 10 11.629 -0.318 2.336 1.00 0.00 C ATOM 100 O MET A 10 11.019 -0.368 1.267 1.00 0.00 O ATOM 101 CB MET A 10 14.030 -1.005 2.181 1.00 0.00 C ATOM 102 CG MET A 10 15.174 -1.611 2.977 1.00 0.00 C ATOM 103 SD MET A 10 15.698 -0.563 4.347 1.00 0.00 S ATOM 104 CE MET A 10 14.479 -0.992 5.587 1.00 0.00 C ATOM 0 H MET A 10 11.755 -2.647 1.281 1.00 0.00 H new ATOM 0 HA MET A 10 12.686 -1.471 3.792 1.00 0.00 H new ATOM 0 HB2 MET A 10 14.116 -1.319 1.141 1.00 0.00 H new ATOM 0 HB3 MET A 10 14.124 0.081 2.195 1.00 0.00 H new ATOM 0 HG2 MET A 10 14.867 -2.583 3.364 1.00 0.00 H new ATOM 0 HG3 MET A 10 16.021 -1.785 2.313 1.00 0.00 H new ATOM 0 HE1 MET A 10 14.946 -0.991 6.572 1.00 0.00 H new ATOM 0 HE2 MET A 10 13.669 -0.263 5.568 1.00 0.00 H new ATOM 0 HE3 MET A 10 14.079 -1.984 5.376 1.00 0.00 H new ATOM 114 N CYS A 11 11.452 0.654 3.225 1.00 0.00 N ATOM 115 CA CYS A 11 10.508 1.741 2.992 1.00 0.00 C ATOM 116 C CYS A 11 11.214 2.956 2.397 1.00 0.00 C ATOM 117 O CYS A 11 12.360 3.251 2.738 1.00 0.00 O ATOM 118 CB CYS A 11 9.814 2.130 4.299 1.00 0.00 C ATOM 119 SG CYS A 11 8.484 3.358 4.097 1.00 0.00 S ATOM 0 H CYS A 11 11.950 0.711 4.113 1.00 0.00 H new ATOM 0 HA CYS A 11 9.759 1.393 2.280 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.399 1.233 4.759 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.559 2.527 4.989 1.00 0.00 H new ATOM 124 N LYS A 12 10.522 3.658 1.506 1.00 0.00 N ATOM 125 CA LYS A 12 11.080 4.842 0.864 1.00 0.00 C ATOM 126 C LYS A 12 10.917 6.071 1.753 1.00 0.00 C ATOM 127 O LYS A 12 10.929 7.202 1.270 1.00 0.00 O ATOM 128 CB LYS A 12 10.401 5.083 -0.486 1.00 0.00 C ATOM 129 CG LYS A 12 10.710 4.015 -1.521 1.00 0.00 C ATOM 130 CD LYS A 12 11.925 4.382 -2.357 1.00 0.00 C ATOM 131 CE LYS A 12 13.191 3.739 -1.812 1.00 0.00 C ATOM 132 NZ LYS A 12 13.191 2.263 -2.007 1.00 0.00 N ATOM 0 H LYS A 12 9.573 3.427 1.212 1.00 0.00 H new ATOM 0 HA LYS A 12 12.144 4.670 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.322 5.132 -0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.714 6.053 -0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.886 3.063 -1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.847 3.878 -2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.769 4.064 -3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.044 5.465 -2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.060 4.171 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.285 3.965 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.169 1.909 -1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.639 1.813 -1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.765 2.034 -2.928 1.00 0.00 H new ATOM 146 N GLU A 13 10.767 5.839 3.054 1.00 0.00 N ATOM 147 CA GLU A 13 10.603 6.928 4.009 1.00 0.00 C ATOM 148 C GLU A 13 11.506 6.728 5.223 1.00 0.00 C ATOM 149 O GLU A 13 12.037 7.689 5.781 1.00 0.00 O ATOM 150 CB GLU A 13 9.143 7.028 4.456 1.00 0.00 C ATOM 151 CG GLU A 13 8.298 7.935 3.578 1.00 0.00 C ATOM 152 CD GLU A 13 8.628 9.403 3.767 1.00 0.00 C ATOM 153 OE1 GLU A 13 9.810 9.719 4.015 1.00 0.00 O ATOM 154 OE2 GLU A 13 7.703 10.236 3.668 1.00 0.00 O ATOM 0 H GLU A 13 10.756 4.908 3.470 1.00 0.00 H new ATOM 0 HA GLU A 13 10.889 7.857 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.704 6.030 4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.110 7.396 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.448 7.665 2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.244 7.772 3.802 1.00 0.00 H new ATOM 161 N HIS A 14 11.675 5.473 5.626 1.00 0.00 N ATOM 162 CA HIS A 14 12.514 5.146 6.774 1.00 0.00 C ATOM 163 C HIS A 14 13.803 4.463 6.328 1.00 0.00 C ATOM 164 O HIS A 14 13.985 4.172 5.146 1.00 0.00 O ATOM 165 CB HIS A 14 11.755 4.242 7.746 1.00 0.00 C ATOM 166 CG HIS A 14 10.526 4.878 8.319 1.00 0.00 C ATOM 167 ND1 HIS A 14 9.370 5.072 7.593 1.00 0.00 N ATOM 168 CD2 HIS A 14 10.276 5.364 9.558 1.00 0.00 C ATOM 169 CE1 HIS A 14 8.463 5.650 8.359 1.00 0.00 C ATOM 170 NE2 HIS A 14 8.987 5.838 9.556 1.00 0.00 N ATOM 0 H HIS A 14 11.243 4.666 5.176 1.00 0.00 H new ATOM 0 HA HIS A 14 12.772 6.076 7.280 1.00 0.00 H new ATOM 0 HB2 HIS A 14 11.473 3.324 7.231 1.00 0.00 H new ATOM 0 HB3 HIS A 14 12.421 3.958 8.561 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.962 5.377 10.392 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.462 5.923 8.057 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.512 6.266 10.351 1.00 0.00 H new ATOM 178 N GLU A 15 14.695 4.212 7.281 1.00 0.00 N ATOM 179 CA GLU A 15 15.968 3.565 6.985 1.00 0.00 C ATOM 180 C GLU A 15 16.066 2.211 7.683 1.00 0.00 C ATOM 181 O GLU A 15 16.421 1.207 7.066 1.00 0.00 O ATOM 182 CB GLU A 15 17.132 4.459 7.416 1.00 0.00 C ATOM 183 CG GLU A 15 17.111 4.817 8.892 1.00 0.00 C ATOM 184 CD GLU A 15 17.799 3.776 9.754 1.00 0.00 C ATOM 185 OE1 GLU A 15 18.635 3.020 9.216 1.00 0.00 O ATOM 186 OE2 GLU A 15 17.503 3.719 10.966 1.00 0.00 O ATOM 0 H GLU A 15 14.560 4.447 8.264 1.00 0.00 H new ATOM 0 HA GLU A 15 16.023 3.404 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.071 3.955 7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.111 5.377 6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.598 5.782 9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.078 4.930 9.220 1.00 0.00 H new ATOM 193 N ASP A 16 15.749 2.194 8.973 1.00 0.00 N ATOM 194 CA ASP A 16 15.801 0.965 9.756 1.00 0.00 C ATOM 195 C ASP A 16 14.438 0.280 9.784 1.00 0.00 C ATOM 196 O ASP A 16 14.350 -0.947 9.819 1.00 0.00 O ATOM 197 CB ASP A 16 16.265 1.263 11.183 1.00 0.00 C ATOM 198 CG ASP A 16 17.771 1.181 11.331 1.00 0.00 C ATOM 199 OD1 ASP A 16 18.408 0.467 10.529 1.00 0.00 O ATOM 200 OD2 ASP A 16 18.314 1.830 12.250 1.00 0.00 O ATOM 0 H ASP A 16 15.453 3.017 9.498 1.00 0.00 H new ATOM 0 HA ASP A 16 16.516 0.292 9.283 1.00 0.00 H new ATOM 0 HB2 ASP A 16 15.928 2.259 11.471 1.00 0.00 H new ATOM 0 HB3 ASP A 16 15.796 0.557 11.869 1.00 0.00 H new ATOM 205 N GLU A 17 13.378 1.082 9.768 1.00 0.00 N ATOM 206 CA GLU A 17 12.020 0.553 9.793 1.00 0.00 C ATOM 207 C GLU A 17 11.721 -0.240 8.524 1.00 0.00 C ATOM 208 O GLU A 17 11.528 0.333 7.451 1.00 0.00 O ATOM 209 CB GLU A 17 11.008 1.690 9.948 1.00 0.00 C ATOM 210 CG GLU A 17 11.210 2.518 11.206 1.00 0.00 C ATOM 211 CD GLU A 17 11.299 1.666 12.457 1.00 0.00 C ATOM 212 OE1 GLU A 17 10.253 1.141 12.893 1.00 0.00 O ATOM 213 OE2 GLU A 17 12.414 1.524 13.000 1.00 0.00 O ATOM 0 H GLU A 17 13.434 2.100 9.738 1.00 0.00 H new ATOM 0 HA GLU A 17 11.935 -0.118 10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.073 2.344 9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.002 1.271 9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.122 3.107 11.106 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.385 3.223 11.309 1.00 0.00 H new ATOM 220 N LYS A 18 11.685 -1.562 8.653 1.00 0.00 N ATOM 221 CA LYS A 18 11.410 -2.435 7.518 1.00 0.00 C ATOM 222 C LYS A 18 9.929 -2.402 7.153 1.00 0.00 C ATOM 223 O LYS A 18 9.101 -1.919 7.926 1.00 0.00 O ATOM 224 CB LYS A 18 11.836 -3.870 7.837 1.00 0.00 C ATOM 225 CG LYS A 18 13.255 -4.194 7.403 1.00 0.00 C ATOM 226 CD LYS A 18 14.269 -3.771 8.452 1.00 0.00 C ATOM 227 CE LYS A 18 15.640 -4.369 8.175 1.00 0.00 C ATOM 228 NZ LYS A 18 16.735 -3.528 8.731 1.00 0.00 N ATOM 0 H LYS A 18 11.843 -2.053 9.533 1.00 0.00 H new ATOM 0 HA LYS A 18 11.985 -2.073 6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.746 -4.037 8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.149 -4.561 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.345 -5.265 7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.472 -3.690 6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.342 -2.684 8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.926 -4.085 9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.694 -5.368 8.607 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.777 -4.479 7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.653 -3.970 8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.699 -2.582 8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.619 -3.444 9.761 1.00 0.00 H new ATOM 242 N ILE A 19 9.604 -2.919 5.973 1.00 0.00 N ATOM 243 CA ILE A 19 8.223 -2.951 5.509 1.00 0.00 C ATOM 244 C ILE A 19 7.377 -3.888 6.363 1.00 0.00 C ATOM 245 O ILE A 19 7.731 -5.048 6.566 1.00 0.00 O ATOM 246 CB ILE A 19 8.134 -3.395 4.037 1.00 0.00 C ATOM 247 CG1 ILE A 19 8.981 -2.478 3.152 1.00 0.00 C ATOM 248 CG2 ILE A 19 6.686 -3.399 3.571 1.00 0.00 C ATOM 249 CD1 ILE A 19 8.552 -1.029 3.199 1.00 0.00 C ATOM 0 H ILE A 19 10.278 -3.321 5.321 1.00 0.00 H new ATOM 0 HA ILE A 19 7.837 -1.935 5.598 1.00 0.00 H new ATOM 0 HB ILE A 19 8.524 -4.409 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 19 10.024 -2.550 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.929 -2.831 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.640 -3.715 2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.108 -4.089 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.271 -2.395 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.196 -0.438 2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.519 -0.944 2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.631 -0.659 4.221 1.00 0.00 H new ATOM 261 N ASN A 20 6.255 -3.376 6.860 1.00 0.00 N ATOM 262 CA ASN A 20 5.357 -4.168 7.692 1.00 0.00 C ATOM 263 C ASN A 20 4.022 -4.395 6.989 1.00 0.00 C ATOM 264 O ASN A 20 3.498 -5.509 6.974 1.00 0.00 O ATOM 265 CB ASN A 20 5.126 -3.473 9.035 1.00 0.00 C ATOM 266 CG ASN A 20 6.354 -3.511 9.924 1.00 0.00 C ATOM 267 OD1 ASN A 20 7.115 -4.479 9.910 1.00 0.00 O ATOM 268 ND2 ASN A 20 6.553 -2.455 10.705 1.00 0.00 N ATOM 0 H ASN A 20 5.947 -2.417 6.701 1.00 0.00 H new ATOM 0 HA ASN A 20 5.825 -5.137 7.867 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.839 -2.436 8.860 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.293 -3.951 9.550 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.362 -2.425 11.325 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.897 -1.675 10.684 1.00 0.00 H new ATOM 275 N ILE A 21 3.478 -3.331 6.407 1.00 0.00 N ATOM 276 CA ILE A 21 2.206 -3.415 5.701 1.00 0.00 C ATOM 277 C ILE A 21 2.365 -3.027 4.234 1.00 0.00 C ATOM 278 O ILE A 21 3.426 -2.563 3.816 1.00 0.00 O ATOM 279 CB ILE A 21 1.142 -2.508 6.348 1.00 0.00 C ATOM 280 CG1 ILE A 21 1.627 -1.058 6.378 1.00 0.00 C ATOM 281 CG2 ILE A 21 0.816 -2.993 7.752 1.00 0.00 C ATOM 282 CD1 ILE A 21 0.557 -0.071 6.791 1.00 0.00 C ATOM 0 H ILE A 21 3.898 -2.402 6.411 1.00 0.00 H new ATOM 0 HA ILE A 21 1.876 -4.452 5.767 1.00 0.00 H new ATOM 0 HB ILE A 21 0.233 -2.554 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.468 -0.979 7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.998 -0.787 5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.063 -2.342 8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.433 -4.012 7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.719 -2.973 8.363 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.972 0.937 6.790 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.275 -0.122 6.089 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.202 -0.316 7.792 1.00 0.00 H new ATOM 294 N TYR A 22 1.303 -3.217 3.460 1.00 0.00 N ATOM 295 CA TYR A 22 1.324 -2.887 2.039 1.00 0.00 C ATOM 296 C TYR A 22 0.194 -1.925 1.687 1.00 0.00 C ATOM 297 O TYR A 22 -0.955 -2.125 2.082 1.00 0.00 O ATOM 298 CB TYR A 22 1.207 -4.159 1.197 1.00 0.00 C ATOM 299 CG TYR A 22 0.910 -3.894 -0.261 1.00 0.00 C ATOM 300 CD1 TYR A 22 -0.398 -3.809 -0.720 1.00 0.00 C ATOM 301 CD2 TYR A 22 1.939 -3.730 -1.181 1.00 0.00 C ATOM 302 CE1 TYR A 22 -0.675 -3.568 -2.052 1.00 0.00 C ATOM 303 CE2 TYR A 22 1.672 -3.487 -2.515 1.00 0.00 C ATOM 304 CZ TYR A 22 0.364 -3.407 -2.945 1.00 0.00 C ATOM 305 OH TYR A 22 0.094 -3.167 -4.273 1.00 0.00 O ATOM 0 H TYR A 22 0.417 -3.598 3.792 1.00 0.00 H new ATOM 0 HA TYR A 22 2.274 -2.400 1.819 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.137 -4.722 1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.419 -4.788 1.611 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.214 -3.934 -0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.964 -3.794 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.698 -3.506 -2.392 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.483 -3.360 -3.217 1.00 0.00 H new ATOM 0 HH TYR A 22 0.936 -3.077 -4.767 1.00 0.00 H new ATOM 315 N CYS A 23 0.529 -0.878 0.939 1.00 0.00 N ATOM 316 CA CYS A 23 -0.455 0.117 0.531 1.00 0.00 C ATOM 317 C CYS A 23 -1.181 -0.324 -0.736 1.00 0.00 C ATOM 318 O CYS A 23 -0.616 -1.024 -1.578 1.00 0.00 O ATOM 319 CB CYS A 23 0.223 1.470 0.300 1.00 0.00 C ATOM 320 SG CYS A 23 -0.929 2.880 0.257 1.00 0.00 S ATOM 0 H CYS A 23 1.475 -0.697 0.603 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.188 0.217 1.332 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.956 1.637 1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.772 1.434 -0.641 1.00 0.00 H new ATOM 325 N LEU A 24 -2.436 0.091 -0.867 1.00 0.00 N ATOM 326 CA LEU A 24 -3.241 -0.260 -2.032 1.00 0.00 C ATOM 327 C LEU A 24 -3.384 0.931 -2.974 1.00 0.00 C ATOM 328 O LEU A 24 -2.956 0.880 -4.127 1.00 0.00 O ATOM 329 CB LEU A 24 -4.623 -0.747 -1.593 1.00 0.00 C ATOM 330 CG LEU A 24 -4.678 -2.145 -0.977 1.00 0.00 C ATOM 331 CD1 LEU A 24 -3.415 -2.426 -0.177 1.00 0.00 C ATOM 332 CD2 LEU A 24 -5.911 -2.292 -0.097 1.00 0.00 C ATOM 0 H LEU A 24 -2.919 0.671 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.732 -1.063 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.023 -0.037 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.285 -0.727 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.743 -2.874 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.472 -3.426 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.547 -2.363 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.320 -1.691 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.934 -3.293 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.876 -1.554 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.807 -2.134 -0.697 1.00 0.00 H new ATOM 344 N THR A 25 -3.988 2.005 -2.474 1.00 0.00 N ATOM 345 CA THR A 25 -4.186 3.210 -3.270 1.00 0.00 C ATOM 346 C THR A 25 -3.034 3.421 -4.245 1.00 0.00 C ATOM 347 O THR A 25 -3.185 3.228 -5.452 1.00 0.00 O ATOM 348 CB THR A 25 -4.322 4.457 -2.377 1.00 0.00 C ATOM 349 OG1 THR A 25 -5.508 4.362 -1.579 1.00 0.00 O ATOM 350 CG2 THR A 25 -4.372 5.723 -3.219 1.00 0.00 C ATOM 0 H THR A 25 -4.348 2.065 -1.522 1.00 0.00 H new ATOM 0 HA THR A 25 -5.111 3.070 -3.830 1.00 0.00 H new ATOM 0 HB THR A 25 -3.449 4.507 -1.726 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.023 5.192 -1.659 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.468 6.591 -2.566 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.456 5.808 -3.803 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.228 5.679 -3.892 1.00 0.00 H new ATOM 358 N CYS A 26 -1.882 3.817 -3.716 1.00 0.00 N ATOM 359 CA CYS A 26 -0.702 4.054 -4.539 1.00 0.00 C ATOM 360 C CYS A 26 -0.095 2.736 -5.012 1.00 0.00 C ATOM 361 O CYS A 26 0.738 2.715 -5.918 1.00 0.00 O ATOM 362 CB CYS A 26 0.339 4.856 -3.757 1.00 0.00 C ATOM 363 SG CYS A 26 0.749 4.152 -2.127 1.00 0.00 S ATOM 0 H CYS A 26 -1.740 3.981 -2.719 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.009 4.627 -5.414 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.250 4.925 -4.351 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.029 5.873 -3.620 1.00 0.00 H new ATOM 368 N GLU A 27 -0.519 1.639 -4.392 1.00 0.00 N ATOM 369 CA GLU A 27 -0.017 0.318 -4.749 1.00 0.00 C ATOM 370 C GLU A 27 1.480 0.212 -4.474 1.00 0.00 C ATOM 371 O GLU A 27 2.263 -0.136 -5.358 1.00 0.00 O ATOM 372 CB GLU A 27 -0.297 0.023 -6.224 1.00 0.00 C ATOM 373 CG GLU A 27 -1.683 -0.546 -6.478 1.00 0.00 C ATOM 374 CD GLU A 27 -1.913 -1.864 -5.764 1.00 0.00 C ATOM 375 OE1 GLU A 27 -2.177 -1.839 -4.544 1.00 0.00 O ATOM 376 OE2 GLU A 27 -1.828 -2.920 -6.425 1.00 0.00 O ATOM 0 H GLU A 27 -1.209 1.639 -3.640 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.535 -0.417 -4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.180 0.942 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.449 -0.681 -6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.433 0.175 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.822 -0.689 -7.550 1.00 0.00 H new ATOM 383 N VAL A 28 1.872 0.516 -3.241 1.00 0.00 N ATOM 384 CA VAL A 28 3.275 0.455 -2.847 1.00 0.00 C ATOM 385 C VAL A 28 3.427 -0.107 -1.438 1.00 0.00 C ATOM 386 O VAL A 28 2.750 0.313 -0.499 1.00 0.00 O ATOM 387 CB VAL A 28 3.935 1.845 -2.907 1.00 0.00 C ATOM 388 CG1 VAL A 28 3.403 2.639 -4.091 1.00 0.00 C ATOM 389 CG2 VAL A 28 3.710 2.599 -1.605 1.00 0.00 C ATOM 0 H VAL A 28 1.238 0.807 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 28 3.774 -0.207 -3.555 1.00 0.00 H new ATOM 0 HB VAL A 28 5.008 1.712 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.881 3.618 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.621 2.104 -5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.325 2.764 -3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.183 3.579 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.640 2.723 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.145 2.036 -0.779 1.00 0.00 H new ATOM 399 N PRO A 29 4.337 -1.080 -1.285 1.00 0.00 N ATOM 400 CA PRO A 29 4.600 -1.721 0.007 1.00 0.00 C ATOM 401 C PRO A 29 5.294 -0.783 0.989 1.00 0.00 C ATOM 402 O PRO A 29 6.514 -0.826 1.148 1.00 0.00 O ATOM 403 CB PRO A 29 5.519 -2.889 -0.357 1.00 0.00 C ATOM 404 CG PRO A 29 6.186 -2.467 -1.621 1.00 0.00 C ATOM 405 CD PRO A 29 5.179 -1.630 -2.360 1.00 0.00 C ATOM 0 HA PRO A 29 3.680 -2.024 0.506 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.248 -3.079 0.431 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.953 -3.810 -0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.091 -1.896 -1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.484 -3.332 -2.213 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.659 -0.840 -2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.596 -2.228 -3.061 1.00 0.00 H new ATOM 413 N THR A 30 4.509 0.065 1.646 1.00 0.00 N ATOM 414 CA THR A 30 5.048 1.015 2.611 1.00 0.00 C ATOM 415 C THR A 30 4.680 0.618 4.037 1.00 0.00 C ATOM 416 O THR A 30 3.669 -0.046 4.266 1.00 0.00 O ATOM 417 CB THR A 30 4.538 2.443 2.340 1.00 0.00 C ATOM 418 OG1 THR A 30 5.116 3.356 3.280 1.00 0.00 O ATOM 419 CG2 THR A 30 3.021 2.502 2.433 1.00 0.00 C ATOM 0 H THR A 30 3.497 0.113 1.527 1.00 0.00 H new ATOM 0 HA THR A 30 6.132 0.998 2.500 1.00 0.00 H new ATOM 0 HB THR A 30 4.835 2.726 1.330 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.077 3.179 3.360 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.684 3.520 2.238 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.585 1.828 1.696 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.706 2.200 3.432 1.00 0.00 H new ATOM 427 N CYS A 31 5.506 1.030 4.993 1.00 0.00 N ATOM 428 CA CYS A 31 5.268 0.718 6.397 1.00 0.00 C ATOM 429 C CYS A 31 3.968 1.354 6.882 1.00 0.00 C ATOM 430 O CYS A 31 3.277 2.035 6.124 1.00 0.00 O ATOM 431 CB CYS A 31 6.438 1.205 7.254 1.00 0.00 C ATOM 432 SG CYS A 31 6.457 3.005 7.533 1.00 0.00 S ATOM 0 H CYS A 31 6.347 1.581 4.821 1.00 0.00 H new ATOM 0 HA CYS A 31 5.181 -0.364 6.494 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.403 0.699 8.219 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.372 0.913 6.774 1.00 0.00 H new ATOM 437 N SER A 32 3.642 1.126 8.150 1.00 0.00 N ATOM 438 CA SER A 32 2.424 1.673 8.737 1.00 0.00 C ATOM 439 C SER A 32 2.648 3.103 9.218 1.00 0.00 C ATOM 440 O SER A 32 1.791 3.970 9.042 1.00 0.00 O ATOM 441 CB SER A 32 1.957 0.798 9.901 1.00 0.00 C ATOM 442 OG SER A 32 0.586 1.019 10.186 1.00 0.00 O ATOM 0 H SER A 32 4.204 0.566 8.791 1.00 0.00 H new ATOM 0 HA SER A 32 1.652 1.684 7.968 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.117 -0.252 9.658 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.555 1.015 10.786 1.00 0.00 H new ATOM 0 HG SER A 32 0.311 0.447 10.933 1.00 0.00 H new ATOM 448 N MET A 33 3.805 3.343 9.825 1.00 0.00 N ATOM 449 CA MET A 33 4.143 4.668 10.331 1.00 0.00 C ATOM 450 C MET A 33 3.849 5.740 9.286 1.00 0.00 C ATOM 451 O MET A 33 3.366 6.824 9.613 1.00 0.00 O ATOM 452 CB MET A 33 5.617 4.723 10.735 1.00 0.00 C ATOM 453 CG MET A 33 5.927 3.958 12.012 1.00 0.00 C ATOM 454 SD MET A 33 6.350 2.233 11.703 1.00 0.00 S ATOM 455 CE MET A 33 4.750 1.451 11.897 1.00 0.00 C ATOM 0 H MET A 33 4.525 2.637 9.979 1.00 0.00 H new ATOM 0 HA MET A 33 3.527 4.862 11.209 1.00 0.00 H new ATOM 0 HB2 MET A 33 6.223 4.320 9.924 1.00 0.00 H new ATOM 0 HB3 MET A 33 5.911 5.765 10.865 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.754 4.444 12.530 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.064 4.003 12.676 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.768 0.798 12.770 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.985 2.216 12.031 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.522 0.863 11.008 1.00 0.00 H new ATOM 465 N CYS A 34 4.145 5.430 8.028 1.00 0.00 N ATOM 466 CA CYS A 34 3.913 6.366 6.935 1.00 0.00 C ATOM 467 C CYS A 34 2.420 6.528 6.664 1.00 0.00 C ATOM 468 O CYS A 34 1.972 7.577 6.201 1.00 0.00 O ATOM 469 CB CYS A 34 4.625 5.888 5.668 1.00 0.00 C ATOM 470 SG CYS A 34 6.425 6.162 5.677 1.00 0.00 S ATOM 0 H CYS A 34 4.546 4.537 7.741 1.00 0.00 H new ATOM 0 HA CYS A 34 4.317 7.335 7.227 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.431 4.824 5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.195 6.400 4.807 1.00 0.00 H new ATOM 475 N LYS A 35 1.655 5.481 6.955 1.00 0.00 N ATOM 476 CA LYS A 35 0.213 5.505 6.745 1.00 0.00 C ATOM 477 C LYS A 35 -0.485 6.290 7.851 1.00 0.00 C ATOM 478 O LYS A 35 -1.310 7.163 7.581 1.00 0.00 O ATOM 479 CB LYS A 35 -0.340 4.079 6.690 1.00 0.00 C ATOM 480 CG LYS A 35 -1.752 3.994 6.137 1.00 0.00 C ATOM 481 CD LYS A 35 -2.790 4.258 7.215 1.00 0.00 C ATOM 482 CE LYS A 35 -2.926 3.073 8.159 1.00 0.00 C ATOM 483 NZ LYS A 35 -3.637 3.443 9.414 1.00 0.00 N ATOM 0 H LYS A 35 2.011 4.605 7.337 1.00 0.00 H new ATOM 0 HA LYS A 35 0.018 6.000 5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.319 3.466 6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.326 3.654 7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.872 4.717 5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.916 3.006 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.510 5.146 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.754 4.467 6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.467 2.270 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.936 2.687 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.422 2.744 10.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.324 4.384 9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.662 3.459 9.240 1.00 0.00 H new ATOM 497 N VAL A 36 -0.148 5.975 9.098 1.00 0.00 N ATOM 498 CA VAL A 36 -0.740 6.652 10.245 1.00 0.00 C ATOM 499 C VAL A 36 -0.133 8.037 10.439 1.00 0.00 C ATOM 500 O VAL A 36 -0.835 8.994 10.766 1.00 0.00 O ATOM 501 CB VAL A 36 -0.552 5.836 11.537 1.00 0.00 C ATOM 502 CG1 VAL A 36 -1.138 4.441 11.378 1.00 0.00 C ATOM 503 CG2 VAL A 36 0.920 5.766 11.913 1.00 0.00 C ATOM 0 H VAL A 36 0.533 5.255 9.339 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.806 6.751 10.039 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.086 6.338 12.344 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.996 3.879 12.301 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.203 4.517 11.160 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.635 3.926 10.559 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.034 5.186 12.828 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.479 5.288 11.108 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.303 6.774 12.072 1.00 0.00 H new ATOM 513 N PHE A 37 1.176 8.137 10.234 1.00 0.00 N ATOM 514 CA PHE A 37 1.879 9.406 10.386 1.00 0.00 C ATOM 515 C PHE A 37 2.211 10.011 9.026 1.00 0.00 C ATOM 516 O PHE A 37 1.825 11.139 8.724 1.00 0.00 O ATOM 517 CB PHE A 37 3.162 9.208 11.197 1.00 0.00 C ATOM 518 CG PHE A 37 2.964 8.395 12.443 1.00 0.00 C ATOM 519 CD1 PHE A 37 2.136 8.848 13.458 1.00 0.00 C ATOM 520 CD2 PHE A 37 3.604 7.176 12.600 1.00 0.00 C ATOM 521 CE1 PHE A 37 1.953 8.101 14.607 1.00 0.00 C ATOM 522 CE2 PHE A 37 3.425 6.425 13.747 1.00 0.00 C ATOM 523 CZ PHE A 37 2.597 6.888 14.751 1.00 0.00 C ATOM 0 H PHE A 37 1.772 7.355 9.962 1.00 0.00 H new ATOM 0 HA PHE A 37 1.223 10.095 10.919 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.907 8.720 10.569 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.564 10.184 11.470 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.628 9.795 13.350 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.250 6.808 11.817 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.307 8.466 15.391 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.932 5.478 13.858 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.454 6.302 15.647 1.00 0.00 H new ATOM 533 N GLY A 38 2.933 9.250 8.207 1.00 0.00 N ATOM 534 CA GLY A 38 3.307 9.727 6.889 1.00 0.00 C ATOM 535 C GLY A 38 2.137 10.331 6.137 1.00 0.00 C ATOM 536 O GLY A 38 1.013 10.352 6.639 1.00 0.00 O ATOM 0 H GLY A 38 3.265 8.312 8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.096 10.473 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.719 8.900 6.310 1.00 0.00 H new ATOM 540 N ILE A 39 2.402 10.826 4.933 1.00 0.00 N ATOM 541 CA ILE A 39 1.362 11.434 4.112 1.00 0.00 C ATOM 542 C ILE A 39 0.441 10.374 3.518 1.00 0.00 C ATOM 543 O ILE A 39 -0.488 10.690 2.774 1.00 0.00 O ATOM 544 CB ILE A 39 1.965 12.273 2.970 1.00 0.00 C ATOM 545 CG1 ILE A 39 2.377 11.368 1.806 1.00 0.00 C ATOM 546 CG2 ILE A 39 3.156 13.074 3.473 1.00 0.00 C ATOM 547 CD1 ILE A 39 3.516 10.431 2.144 1.00 0.00 C ATOM 0 H ILE A 39 3.328 10.818 4.504 1.00 0.00 H new ATOM 0 HA ILE A 39 0.785 12.088 4.766 1.00 0.00 H new ATOM 0 HB ILE A 39 1.208 12.971 2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.515 10.780 1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.667 11.989 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.571 13.662 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.834 13.742 4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.918 12.393 3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.755 9.820 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.392 11.012 2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.222 9.785 2.971 1.00 0.00 H new ATOM 559 N HIS A 40 0.704 9.115 3.852 1.00 0.00 N ATOM 560 CA HIS A 40 -0.104 8.007 3.354 1.00 0.00 C ATOM 561 C HIS A 40 -1.385 7.858 4.169 1.00 0.00 C ATOM 562 O HIS A 40 -1.698 6.774 4.661 1.00 0.00 O ATOM 563 CB HIS A 40 0.696 6.705 3.398 1.00 0.00 C ATOM 564 CG HIS A 40 1.724 6.596 2.313 1.00 0.00 C ATOM 565 ND1 HIS A 40 1.489 5.954 1.116 1.00 0.00 N ATOM 566 CD2 HIS A 40 2.996 7.054 2.250 1.00 0.00 C ATOM 567 CE1 HIS A 40 2.573 6.020 0.364 1.00 0.00 C ATOM 568 NE2 HIS A 40 3.502 6.684 1.029 1.00 0.00 N ATOM 0 H HIS A 40 1.470 8.836 4.465 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.375 8.224 2.321 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.191 6.625 4.366 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.008 5.863 3.321 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.516 7.608 3.018 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.682 5.602 -0.626 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.442 6.888 0.690 1.00 0.00 H new ATOM 576 N LYS A 41 -2.122 8.955 4.309 1.00 0.00 N ATOM 577 CA LYS A 41 -3.369 8.948 5.064 1.00 0.00 C ATOM 578 C LYS A 41 -4.557 8.661 4.150 1.00 0.00 C ATOM 579 O LYS A 41 -5.459 7.905 4.509 1.00 0.00 O ATOM 580 CB LYS A 41 -3.569 10.291 5.771 1.00 0.00 C ATOM 581 CG LYS A 41 -2.714 10.456 7.015 1.00 0.00 C ATOM 582 CD LYS A 41 -2.819 11.863 7.580 1.00 0.00 C ATOM 583 CE LYS A 41 -1.753 12.778 6.997 1.00 0.00 C ATOM 584 NZ LYS A 41 -2.237 13.490 5.782 1.00 0.00 N ATOM 0 H LYS A 41 -1.877 9.861 3.909 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.308 8.157 5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.340 11.097 5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.619 10.395 6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.026 9.735 7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.674 10.236 6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.807 12.270 7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.718 11.829 8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.450 13.507 7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.869 12.192 6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.624 13.256 4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.212 13.196 5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.213 14.516 5.948 1.00 0.00 H new ATOM 598 N ALA A 42 -4.548 9.267 2.968 1.00 0.00 N ATOM 599 CA ALA A 42 -5.622 9.073 2.002 1.00 0.00 C ATOM 600 C ALA A 42 -5.412 7.796 1.196 1.00 0.00 C ATOM 601 O ALA A 42 -5.775 7.724 0.021 1.00 0.00 O ATOM 602 CB ALA A 42 -5.721 10.275 1.074 1.00 0.00 C ATOM 0 H ALA A 42 -3.809 9.897 2.656 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.558 8.974 2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.527 10.116 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.927 11.171 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.780 10.400 0.539 1.00 0.00 H new ATOM 608 N CYS A 43 -4.822 6.790 1.833 1.00 0.00 N ATOM 609 CA CYS A 43 -4.561 5.515 1.175 1.00 0.00 C ATOM 610 C CYS A 43 -5.260 4.373 1.907 1.00 0.00 C ATOM 611 O CYS A 43 -6.007 4.598 2.859 1.00 0.00 O ATOM 612 CB CYS A 43 -3.056 5.249 1.110 1.00 0.00 C ATOM 613 SG CYS A 43 -2.194 6.171 -0.203 1.00 0.00 S ATOM 0 H CYS A 43 -4.515 6.833 2.805 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.957 5.570 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.611 5.505 2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.893 4.182 0.957 1.00 0.00 H new ATOM 618 N GLU A 44 -5.011 3.148 1.455 1.00 0.00 N ATOM 619 CA GLU A 44 -5.616 1.971 2.067 1.00 0.00 C ATOM 620 C GLU A 44 -4.604 0.834 2.178 1.00 0.00 C ATOM 621 O GLU A 44 -4.238 0.215 1.179 1.00 0.00 O ATOM 622 CB GLU A 44 -6.828 1.512 1.253 1.00 0.00 C ATOM 623 CG GLU A 44 -8.125 2.193 1.658 1.00 0.00 C ATOM 624 CD GLU A 44 -9.338 1.306 1.451 1.00 0.00 C ATOM 625 OE1 GLU A 44 -9.283 0.123 1.847 1.00 0.00 O ATOM 626 OE2 GLU A 44 -10.343 1.796 0.894 1.00 0.00 O ATOM 0 H GLU A 44 -4.395 2.945 0.668 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.943 2.242 3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.640 1.705 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.943 0.434 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.067 2.484 2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.246 3.109 1.080 1.00 0.00 H new ATOM 633 N VAL A 45 -4.156 0.565 3.400 1.00 0.00 N ATOM 634 CA VAL A 45 -3.187 -0.497 3.643 1.00 0.00 C ATOM 635 C VAL A 45 -3.877 -1.775 4.105 1.00 0.00 C ATOM 636 O VAL A 45 -4.894 -1.729 4.797 1.00 0.00 O ATOM 637 CB VAL A 45 -2.147 -0.078 4.698 1.00 0.00 C ATOM 638 CG1 VAL A 45 -1.314 1.090 4.192 1.00 0.00 C ATOM 639 CG2 VAL A 45 -2.832 0.275 6.010 1.00 0.00 C ATOM 0 H VAL A 45 -4.449 1.068 4.238 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.678 -0.683 2.697 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.478 -0.920 4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.584 1.372 4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.794 0.798 3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.966 1.938 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.082 0.569 6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.525 1.101 5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.381 -0.592 6.379 1.00 0.00 H new ATOM 649 N ALA A 46 -3.318 -2.917 3.718 1.00 0.00 N ATOM 650 CA ALA A 46 -3.878 -4.209 4.095 1.00 0.00 C ATOM 651 C ALA A 46 -2.866 -5.038 4.879 1.00 0.00 C ATOM 652 O ALA A 46 -1.671 -4.742 4.904 1.00 0.00 O ATOM 653 CB ALA A 46 -4.338 -4.966 2.858 1.00 0.00 C ATOM 0 H ALA A 46 -2.477 -2.974 3.143 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.739 -4.030 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.754 -5.929 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.101 -4.386 2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.489 -5.127 2.193 1.00 0.00 H new ATOM 659 N PRO A 47 -3.353 -6.101 5.535 1.00 0.00 N ATOM 660 CA PRO A 47 -2.508 -6.995 6.332 1.00 0.00 C ATOM 661 C PRO A 47 -1.574 -7.834 5.467 1.00 0.00 C ATOM 662 O PRO A 47 -1.937 -8.922 5.018 1.00 0.00 O ATOM 663 CB PRO A 47 -3.519 -7.891 7.052 1.00 0.00 C ATOM 664 CG PRO A 47 -4.725 -7.878 6.179 1.00 0.00 C ATOM 665 CD PRO A 47 -4.767 -6.513 5.549 1.00 0.00 C ATOM 0 HA PRO A 47 -1.852 -6.443 7.005 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.132 -8.902 7.178 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.747 -7.510 8.048 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.665 -8.657 5.419 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.628 -8.068 6.759 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.186 -6.547 4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.381 -5.822 6.127 1.00 0.00 H new ATOM 673 N LEU A 48 -0.369 -7.323 5.238 1.00 0.00 N ATOM 674 CA LEU A 48 0.618 -8.026 4.426 1.00 0.00 C ATOM 675 C LEU A 48 0.514 -9.535 4.627 1.00 0.00 C ATOM 676 O LEU A 48 0.691 -10.309 3.687 1.00 0.00 O ATOM 677 CB LEU A 48 2.029 -7.549 4.777 1.00 0.00 C ATOM 678 CG LEU A 48 3.051 -7.584 3.641 1.00 0.00 C ATOM 679 CD1 LEU A 48 2.634 -6.646 2.519 1.00 0.00 C ATOM 680 CD2 LEU A 48 4.435 -7.218 4.157 1.00 0.00 C ATOM 0 H LEU A 48 -0.052 -6.425 5.603 1.00 0.00 H new ATOM 0 HA LEU A 48 0.416 -7.803 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.963 -6.526 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.405 -8.162 5.596 1.00 0.00 H new ATOM 0 HG LEU A 48 3.089 -8.598 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.373 -6.684 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.663 -6.953 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.566 -5.628 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.150 -7.248 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.412 -6.214 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.737 -7.929 4.926 1.00 0.00 H new ATOM 692 N GLN A 49 0.225 -9.943 5.858 1.00 0.00 N ATOM 693 CA GLN A 49 0.095 -11.359 6.182 1.00 0.00 C ATOM 694 C GLN A 49 -0.993 -12.014 5.337 1.00 0.00 C ATOM 695 O GLN A 49 -2.147 -12.103 5.755 1.00 0.00 O ATOM 696 CB GLN A 49 -0.220 -11.538 7.668 1.00 0.00 C ATOM 697 CG GLN A 49 0.935 -11.165 8.584 1.00 0.00 C ATOM 698 CD GLN A 49 1.223 -9.676 8.583 1.00 0.00 C ATOM 699 OE1 GLN A 49 0.538 -8.900 9.251 1.00 0.00 O ATOM 700 NE2 GLN A 49 2.240 -9.270 7.833 1.00 0.00 N ATOM 0 H GLN A 49 0.076 -9.314 6.647 1.00 0.00 H new ATOM 0 HA GLN A 49 1.045 -11.845 5.958 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.087 -10.928 7.923 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.496 -12.577 7.850 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.706 -11.486 9.600 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.830 -11.705 8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.780 -9.948 7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.481 -8.280 7.794 1.00 0.00 H new ATOM 709 N SER A 50 -0.617 -12.470 4.147 1.00 0.00 N ATOM 710 CA SER A 50 -1.562 -13.112 3.241 1.00 0.00 C ATOM 711 C SER A 50 -2.659 -12.139 2.821 1.00 0.00 C ATOM 712 O SER A 50 -3.846 -12.460 2.880 1.00 0.00 O ATOM 713 CB SER A 50 -2.183 -14.342 3.906 1.00 0.00 C ATOM 714 OG SER A 50 -1.201 -15.328 4.173 1.00 0.00 O ATOM 0 H SER A 50 0.335 -12.407 3.788 1.00 0.00 H new ATOM 0 HA SER A 50 -1.018 -13.425 2.350 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.671 -14.049 4.836 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.955 -14.759 3.259 1.00 0.00 H new ATOM 0 HG SER A 50 -1.623 -16.103 4.599 1.00 0.00 H new ATOM 720 N VAL A 51 -2.253 -10.947 2.396 1.00 0.00 N ATOM 721 CA VAL A 51 -3.200 -9.925 1.964 1.00 0.00 C ATOM 722 C VAL A 51 -4.358 -10.543 1.187 1.00 0.00 C ATOM 723 O VAL A 51 -4.220 -10.881 0.011 1.00 0.00 O ATOM 724 CB VAL A 51 -2.516 -8.861 1.086 1.00 0.00 C ATOM 725 CG1 VAL A 51 -3.524 -7.817 0.629 1.00 0.00 C ATOM 726 CG2 VAL A 51 -1.365 -8.210 1.838 1.00 0.00 C ATOM 0 H VAL A 51 -1.274 -10.665 2.341 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.585 -9.448 2.865 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.110 -9.351 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.022 -7.073 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.311 -8.300 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.962 -7.328 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.893 -7.461 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.744 -7.733 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.632 -8.970 2.109 1.00 0.00 H new ATOM 736 N PHE A 52 -5.499 -10.686 1.852 1.00 0.00 N ATOM 737 CA PHE A 52 -6.682 -11.263 1.224 1.00 0.00 C ATOM 738 C PHE A 52 -7.686 -10.176 0.853 1.00 0.00 C ATOM 739 O PHE A 52 -7.983 -9.966 -0.323 1.00 0.00 O ATOM 740 CB PHE A 52 -7.338 -12.281 2.160 1.00 0.00 C ATOM 741 CG PHE A 52 -8.149 -13.320 1.441 1.00 0.00 C ATOM 742 CD1 PHE A 52 -7.529 -14.376 0.793 1.00 0.00 C ATOM 743 CD2 PHE A 52 -9.532 -13.242 1.414 1.00 0.00 C ATOM 744 CE1 PHE A 52 -8.273 -15.335 0.131 1.00 0.00 C ATOM 745 CE2 PHE A 52 -10.281 -14.198 0.754 1.00 0.00 C ATOM 746 CZ PHE A 52 -9.651 -15.245 0.111 1.00 0.00 C ATOM 0 H PHE A 52 -5.630 -10.410 2.825 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.367 -11.769 0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.563 -12.777 2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.981 -11.753 2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.452 -14.451 0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.031 -12.425 1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.777 -16.153 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.359 -14.126 0.741 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.235 -15.992 -0.406 1.00 0.00 H new ATOM 756 N GLN A 53 -8.205 -9.488 1.865 1.00 0.00 N ATOM 757 CA GLN A 53 -9.177 -8.423 1.645 1.00 0.00 C ATOM 758 C GLN A 53 -8.721 -7.125 2.304 1.00 0.00 C ATOM 759 O GLN A 53 -8.516 -6.115 1.632 1.00 0.00 O ATOM 760 CB GLN A 53 -10.546 -8.832 2.192 1.00 0.00 C ATOM 761 CG GLN A 53 -11.694 -8.006 1.637 1.00 0.00 C ATOM 762 CD GLN A 53 -12.895 -7.980 2.562 1.00 0.00 C ATOM 763 OE1 GLN A 53 -13.124 -7.001 3.274 1.00 0.00 O ATOM 764 NE2 GLN A 53 -13.670 -9.058 2.557 1.00 0.00 N ATOM 0 H GLN A 53 -7.969 -9.649 2.844 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.258 -8.256 0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.721 -9.883 1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.536 -8.741 3.278 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.352 -6.986 1.463 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.994 -8.411 0.670 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.443 -9.847 1.951 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.492 -9.098 3.159 1.00 0.00 H new ATOM 773 N GLY A 54 -8.563 -7.161 3.624 1.00 0.00 N ATOM 774 CA GLY A 54 -8.132 -5.981 4.351 1.00 0.00 C ATOM 775 C GLY A 54 -9.117 -5.573 5.429 1.00 0.00 C ATOM 776 O GLY A 54 -10.309 -5.420 5.163 1.00 0.00 O ATOM 0 H GLY A 54 -8.726 -7.985 4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.160 -6.173 4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.000 -5.155 3.652 1.00 0.00 H new ATOM 780 N GLN A 55 -8.618 -5.399 6.649 1.00 0.00 N ATOM 781 CA GLN A 55 -9.464 -5.008 7.771 1.00 0.00 C ATOM 782 C GLN A 55 -9.313 -3.522 8.075 1.00 0.00 C ATOM 783 O GLN A 55 -8.214 -2.971 8.003 1.00 0.00 O ATOM 784 CB GLN A 55 -9.115 -5.833 9.011 1.00 0.00 C ATOM 785 CG GLN A 55 -10.215 -5.850 10.060 1.00 0.00 C ATOM 786 CD GLN A 55 -11.535 -6.359 9.513 1.00 0.00 C ATOM 787 OE1 GLN A 55 -11.593 -6.910 8.414 1.00 0.00 O ATOM 788 NE2 GLN A 55 -12.603 -6.176 10.280 1.00 0.00 N ATOM 0 H GLN A 55 -7.633 -5.522 6.885 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.501 -5.199 7.496 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.899 -6.857 8.707 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.204 -5.434 9.458 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.906 -6.478 10.895 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.353 -4.843 10.453 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.508 -5.714 11.184 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.518 -6.497 9.965 1.00 0.00 H new ATOM 797 N LYS A 56 -10.423 -2.876 8.415 1.00 0.00 N ATOM 798 CA LYS A 56 -10.415 -1.453 8.732 1.00 0.00 C ATOM 799 C LYS A 56 -9.775 -1.202 10.093 1.00 0.00 C ATOM 800 O LYS A 56 -10.168 -1.800 11.096 1.00 0.00 O ATOM 801 CB LYS A 56 -11.842 -0.899 8.717 1.00 0.00 C ATOM 802 CG LYS A 56 -12.778 -1.604 9.682 1.00 0.00 C ATOM 803 CD LYS A 56 -14.215 -1.571 9.189 1.00 0.00 C ATOM 804 CE LYS A 56 -15.131 -2.389 10.087 1.00 0.00 C ATOM 805 NZ LYS A 56 -15.589 -1.610 11.270 1.00 0.00 N ATOM 0 H LYS A 56 -11.341 -3.316 8.478 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.824 -0.940 7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.813 0.163 8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.244 -0.982 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.460 -2.639 9.809 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.717 -1.129 10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.565 -0.539 9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.261 -1.958 8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.997 -2.723 9.515 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.606 -3.284 10.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.211 -2.203 11.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.765 -1.313 11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.112 -0.770 10.951 1.00 0.00 H new ATOM 819 N THR A 57 -8.787 -0.313 10.123 1.00 0.00 N ATOM 820 CA THR A 57 -8.093 0.018 11.361 1.00 0.00 C ATOM 821 C THR A 57 -8.956 0.898 12.257 1.00 0.00 C ATOM 822 O THR A 57 -9.524 1.892 11.804 1.00 0.00 O ATOM 823 CB THR A 57 -6.760 0.738 11.083 1.00 0.00 C ATOM 824 OG1 THR A 57 -6.091 1.024 12.316 1.00 0.00 O ATOM 825 CG2 THR A 57 -6.993 2.030 10.314 1.00 0.00 C ATOM 0 H THR A 57 -8.449 0.191 9.303 1.00 0.00 H new ATOM 0 HA THR A 57 -7.889 -0.924 11.870 1.00 0.00 H new ATOM 0 HB THR A 57 -6.137 0.081 10.477 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.244 1.480 12.130 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.037 2.521 10.129 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.475 1.805 9.363 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.633 2.691 10.898 1.00 0.00 H new ATOM 833 N GLU A 58 -9.050 0.528 13.530 1.00 0.00 N ATOM 834 CA GLU A 58 -9.845 1.286 14.489 1.00 0.00 C ATOM 835 C GLU A 58 -9.210 1.243 15.876 1.00 0.00 C ATOM 836 O GLU A 58 -9.187 0.198 16.527 1.00 0.00 O ATOM 837 CB GLU A 58 -11.271 0.736 14.551 1.00 0.00 C ATOM 838 CG GLU A 58 -12.292 1.747 15.046 1.00 0.00 C ATOM 839 CD GLU A 58 -13.720 1.310 14.783 1.00 0.00 C ATOM 840 OE1 GLU A 58 -14.143 1.339 13.608 1.00 0.00 O ATOM 841 OE2 GLU A 58 -14.414 0.938 15.752 1.00 0.00 O ATOM 0 H GLU A 58 -8.586 -0.292 13.921 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.878 2.323 14.156 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.563 0.394 13.558 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.287 -0.135 15.206 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.155 1.902 16.116 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.114 2.706 14.559 1.00 0.00 H new ATOM 848 N SER A 59 -8.697 2.385 16.322 1.00 0.00 N ATOM 849 CA SER A 59 -8.058 2.477 17.630 1.00 0.00 C ATOM 850 C SER A 59 -9.063 2.209 18.745 1.00 0.00 C ATOM 851 O SER A 59 -8.856 1.336 19.587 1.00 0.00 O ATOM 852 CB SER A 59 -7.428 3.859 17.817 1.00 0.00 C ATOM 853 OG SER A 59 -8.393 4.885 17.659 1.00 0.00 O ATOM 0 H SER A 59 -8.711 3.259 15.797 1.00 0.00 H new ATOM 0 HA SER A 59 -7.276 1.719 17.679 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.980 3.927 18.808 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.624 3.997 17.094 1.00 0.00 H new ATOM 0 HG SER A 59 -7.966 5.758 17.785 1.00 0.00 H new ATOM 859 N GLY A 60 -10.155 2.968 18.745 1.00 0.00 N ATOM 860 CA GLY A 60 -11.177 2.798 19.761 1.00 0.00 C ATOM 861 C GLY A 60 -12.025 1.563 19.530 1.00 0.00 C ATOM 862 O GLY A 60 -12.789 1.479 18.568 1.00 0.00 O ATOM 0 H GLY A 60 -10.350 3.698 18.059 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.704 2.732 20.741 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.820 3.678 19.776 1.00 0.00 H new ATOM 866 N PRO A 61 -11.894 0.574 20.426 1.00 0.00 N ATOM 867 CA PRO A 61 -12.645 -0.681 20.336 1.00 0.00 C ATOM 868 C PRO A 61 -14.131 -0.489 20.620 1.00 0.00 C ATOM 869 O PRO A 61 -14.983 -0.961 19.866 1.00 0.00 O ATOM 870 CB PRO A 61 -12.004 -1.557 21.415 1.00 0.00 C ATOM 871 CG PRO A 61 -11.434 -0.592 22.397 1.00 0.00 C ATOM 872 CD PRO A 61 -11.002 0.605 21.598 1.00 0.00 C ATOM 0 HA PRO A 61 -12.600 -1.112 19.336 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.740 -2.210 21.883 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.229 -2.199 20.995 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.175 -0.314 23.146 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.590 -1.030 22.930 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.116 1.529 22.165 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.954 0.537 21.307 1.00 0.00 H new ATOM 880 N SER A 62 -14.435 0.207 21.710 1.00 0.00 N ATOM 881 CA SER A 62 -15.819 0.458 22.095 1.00 0.00 C ATOM 882 C SER A 62 -16.397 1.631 21.308 1.00 0.00 C ATOM 883 O SER A 62 -17.065 2.500 21.868 1.00 0.00 O ATOM 884 CB SER A 62 -15.910 0.743 23.596 1.00 0.00 C ATOM 885 OG SER A 62 -15.127 1.870 23.949 1.00 0.00 O ATOM 0 H SER A 62 -13.742 0.607 22.342 1.00 0.00 H new ATOM 0 HA SER A 62 -16.401 -0.434 21.866 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.950 0.917 23.874 1.00 0.00 H new ATOM 0 HB3 SER A 62 -15.572 -0.129 24.156 1.00 0.00 H new ATOM 0 HG SER A 62 -15.203 2.032 24.912 1.00 0.00 H new ATOM 891 N SER A 63 -16.135 1.647 20.005 1.00 0.00 N ATOM 892 CA SER A 63 -16.625 2.713 19.140 1.00 0.00 C ATOM 893 C SER A 63 -17.802 2.231 18.297 1.00 0.00 C ATOM 894 O SER A 63 -17.619 1.568 17.277 1.00 0.00 O ATOM 895 CB SER A 63 -15.504 3.217 18.230 1.00 0.00 C ATOM 896 OG SER A 63 -14.747 4.232 18.867 1.00 0.00 O ATOM 0 H SER A 63 -15.586 0.934 19.525 1.00 0.00 H new ATOM 0 HA SER A 63 -16.965 3.533 19.773 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.851 2.388 17.959 1.00 0.00 H new ATOM 0 HB3 SER A 63 -15.929 3.603 17.304 1.00 0.00 H new ATOM 0 HG SER A 63 -14.036 4.536 18.265 1.00 0.00 H new ATOM 902 N GLY A 64 -19.012 2.571 18.731 1.00 0.00 N ATOM 903 CA GLY A 64 -20.202 2.165 18.006 1.00 0.00 C ATOM 904 C GLY A 64 -21.431 2.947 18.424 1.00 0.00 C ATOM 905 O GLY A 64 -22.399 2.341 18.880 1.00 0.00 O ATOM 0 H GLY A 64 -19.189 3.120 19.572 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -20.036 2.299 16.937 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.379 1.102 18.170 1.00 0.00 H new TER 909 GLY A 64 HETATM 910 ZN ZN A 201 7.721 4.273 6.086 1.00 0.00 ZN HETATM 911 ZN ZN A 401 -0.135 4.980 -0.231 1.00 0.00 ZN