USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 SER OG : rot -160:sc= -2.24 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= -2.95! USER MOD Set 2.1: A 22 LYS NZ :NH3+ 173:sc= -0.372 (180deg=0) USER MOD Set 2.2: A 53 LYS NZ :NH3+ -152:sc= -0.409 (180deg=-0.09) USER MOD Single : A 1 SER N :NH3+ 136:sc= 0.0282 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS :FLIP no HD1:sc= -0.694 F(o=-1.9!,f=-0.69) USER MOD Single : A 3 MET CE :methyl -149:sc= -0.094 (180deg=-0.308) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.705 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 10 SER OG : rot -60:sc= 0.102 USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.19) USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.088) USER MOD Single : A 18 THR OG1 : rot 180:sc= -3.93! USER MOD Single : A 23 ASN : amide:sc= -0.652! K(o=-0.65!,f=-1.2) USER MOD Single : A 25 SER OG : rot 180:sc= -0.537! USER MOD Single : A 27 ASN : amide:sc= -0.763 K(o=-0.76,f=-1.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 165:sc= -1.44! USER MOD Single : A 48 GLN : amide:sc= -2 K(o=-2,f=-7.7!) USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0645) USER MOD Single : A 52 SER OG : rot 130:sc= 0.327! USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.249) USER MOD Single : A 62 SER OG : rot 65:sc= 0.0339! USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.16) USER MOD Single : A 69 ASN : amide:sc= -2.45 K(o=-2.5,f=-5.4!) USER MOD Single : A 73 LYS NZ :NH3+ -112:sc= -2.99! (180deg=-4.74!) USER MOD Single : A 74 GLN : amide:sc= -0.813! C(o=-0.81!,f=-7.5!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0519 USER MOD Single : A 87 TYR OH : rot -167:sc= 1.08 USER MOD Single : A 88 THR OG1 : rot 63:sc= 0.986 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -52:sc= 0.302 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 94.358 27.191 16.872 1.00 0.00 N ATOM 2 CA SER A 1 93.165 27.357 15.992 1.00 0.00 C ATOM 3 C SER A 1 91.981 27.890 16.803 1.00 0.00 C ATOM 4 O SER A 1 91.839 27.604 17.976 1.00 0.00 O ATOM 5 CB SER A 1 92.865 25.954 15.465 1.00 0.00 C ATOM 6 OG SER A 1 91.482 25.858 15.150 1.00 0.00 O ATOM 0 H1 SER A 1 94.818 26.281 16.666 1.00 0.00 H new ATOM 0 H2 SER A 1 95.029 27.966 16.697 1.00 0.00 H new ATOM 0 H3 SER A 1 94.060 27.210 17.868 1.00 0.00 H new ATOM 0 HA SER A 1 93.342 28.067 15.184 1.00 0.00 H new ATOM 0 HB2 SER A 1 93.467 25.749 14.580 1.00 0.00 H new ATOM 0 HB3 SER A 1 93.133 25.207 16.212 1.00 0.00 H new ATOM 0 HG SER A 1 91.285 24.960 14.810 1.00 0.00 H new ATOM 14 N HIS A 2 91.129 28.664 16.188 1.00 0.00 N ATOM 15 CA HIS A 2 89.955 29.215 16.925 1.00 0.00 C ATOM 16 C HIS A 2 89.015 28.082 17.343 1.00 0.00 C ATOM 17 O HIS A 2 89.390 26.927 17.364 1.00 0.00 O ATOM 18 CB HIS A 2 89.264 30.147 15.928 1.00 0.00 C ATOM 19 CG HIS A 2 90.208 31.248 15.533 1.00 0.00 C ATOM 20 ND1 HIS A 2 91.578 31.338 15.563 1.00 0.00 N flip ATOM 21 CD2 HIS A 2 89.761 32.459 15.027 1.00 0.00 C flip ATOM 22 CE1 HIS A 2 91.976 32.583 15.085 1.00 0.00 C flip ATOM 23 NE2 HIS A 2 90.843 33.218 14.776 1.00 0.00 N flip ATOM 0 H HIS A 2 91.194 28.939 15.208 1.00 0.00 H new ATOM 0 HA HIS A 2 90.246 29.738 17.836 1.00 0.00 H new ATOM 0 HB2 HIS A 2 88.952 29.587 15.046 1.00 0.00 H new ATOM 0 HB3 HIS A 2 88.363 30.569 16.373 1.00 0.00 H new ATOM 0 HD2 HIS A 2 88.731 32.742 14.864 1.00 0.00 H new ATOM 0 HE1 HIS A 2 92.985 32.955 14.985 1.00 0.00 H new ATOM 0 HE2 HIS A 2 90.803 34.164 14.396 1.00 0.00 H new ATOM 31 N MET A 3 87.795 28.403 17.677 1.00 0.00 N ATOM 32 CA MET A 3 86.832 27.344 18.094 1.00 0.00 C ATOM 33 C MET A 3 86.720 26.272 17.006 1.00 0.00 C ATOM 34 O MET A 3 87.452 25.303 16.998 1.00 0.00 O ATOM 35 CB MET A 3 85.499 28.069 18.275 1.00 0.00 C ATOM 36 CG MET A 3 85.600 29.039 19.453 1.00 0.00 C ATOM 37 SD MET A 3 85.289 28.147 20.997 1.00 0.00 S ATOM 38 CE MET A 3 86.988 28.177 21.621 1.00 0.00 C ATOM 0 H MET A 3 87.423 29.353 17.679 1.00 0.00 H new ATOM 0 HA MET A 3 87.145 26.837 19.006 1.00 0.00 H new ATOM 0 HB2 MET A 3 85.242 28.611 17.365 1.00 0.00 H new ATOM 0 HB3 MET A 3 84.702 27.347 18.452 1.00 0.00 H new ATOM 0 HG2 MET A 3 86.589 29.496 19.478 1.00 0.00 H new ATOM 0 HG3 MET A 3 84.878 29.847 19.336 1.00 0.00 H new ATOM 0 HE1 MET A 3 87.171 27.285 22.220 1.00 0.00 H new ATOM 0 HE2 MET A 3 87.683 28.200 20.782 1.00 0.00 H new ATOM 0 HE3 MET A 3 87.134 29.064 22.237 1.00 0.00 H new ATOM 48 N LEU A 4 85.811 26.441 16.084 1.00 0.00 N ATOM 49 CA LEU A 4 85.654 25.432 14.997 1.00 0.00 C ATOM 50 C LEU A 4 85.742 24.016 15.572 1.00 0.00 C ATOM 51 O LEU A 4 86.469 23.177 15.077 1.00 0.00 O ATOM 52 CB LEU A 4 86.819 25.696 14.042 1.00 0.00 C ATOM 53 CG LEU A 4 86.293 26.351 12.764 1.00 0.00 C ATOM 54 CD1 LEU A 4 85.432 25.350 11.992 1.00 0.00 C ATOM 55 CD2 LEU A 4 85.448 27.574 13.130 1.00 0.00 C ATOM 0 H LEU A 4 85.171 27.234 16.036 1.00 0.00 H new ATOM 0 HA LEU A 4 84.689 25.511 14.496 1.00 0.00 H new ATOM 0 HB2 LEU A 4 87.554 26.344 14.519 1.00 0.00 H new ATOM 0 HB3 LEU A 4 87.326 24.761 13.802 1.00 0.00 H new ATOM 0 HG LEU A 4 87.133 26.660 12.143 1.00 0.00 H new ATOM 0 HD11 LEU A 4 85.058 25.818 11.082 1.00 0.00 H new ATOM 0 HD12 LEU A 4 86.033 24.478 11.732 1.00 0.00 H new ATOM 0 HD13 LEU A 4 84.591 25.039 12.612 1.00 0.00 H new ATOM 0 HD21 LEU A 4 85.072 28.042 12.220 1.00 0.00 H new ATOM 0 HD22 LEU A 4 84.608 27.263 13.752 1.00 0.00 H new ATOM 0 HD23 LEU A 4 86.061 28.289 13.679 1.00 0.00 H new ATOM 67 N GLU A 5 85.006 23.743 16.615 1.00 0.00 N ATOM 68 CA GLU A 5 85.048 22.381 17.221 1.00 0.00 C ATOM 69 C GLU A 5 83.993 21.480 16.574 1.00 0.00 C ATOM 70 O GLU A 5 83.427 21.810 15.551 1.00 0.00 O ATOM 71 CB GLU A 5 84.732 22.597 18.702 1.00 0.00 C ATOM 72 CG GLU A 5 83.322 23.174 18.844 1.00 0.00 C ATOM 73 CD GLU A 5 83.408 24.619 19.340 1.00 0.00 C ATOM 74 OE1 GLU A 5 84.129 24.854 20.294 1.00 0.00 O ATOM 75 OE2 GLU A 5 82.750 25.464 18.756 1.00 0.00 O ATOM 0 H GLU A 5 84.378 24.403 17.073 1.00 0.00 H new ATOM 0 HA GLU A 5 86.013 21.895 17.076 1.00 0.00 H new ATOM 0 HB2 GLU A 5 84.806 21.653 19.242 1.00 0.00 H new ATOM 0 HB3 GLU A 5 85.461 23.276 19.145 1.00 0.00 H new ATOM 0 HG2 GLU A 5 82.805 23.138 17.885 1.00 0.00 H new ATOM 0 HG3 GLU A 5 82.740 22.573 19.543 1.00 0.00 H new ATOM 82 N ASP A 6 83.726 20.345 17.166 1.00 0.00 N ATOM 83 CA ASP A 6 82.707 19.413 16.596 1.00 0.00 C ATOM 84 C ASP A 6 83.084 19.017 15.162 1.00 0.00 C ATOM 85 O ASP A 6 83.265 19.864 14.310 1.00 0.00 O ATOM 86 CB ASP A 6 81.394 20.198 16.611 1.00 0.00 C ATOM 87 CG ASP A 6 80.370 19.498 15.714 1.00 0.00 C ATOM 88 OD1 ASP A 6 79.996 18.382 16.036 1.00 0.00 O ATOM 89 OD2 ASP A 6 79.980 20.089 14.721 1.00 0.00 O ATOM 0 H ASP A 6 84.172 20.022 18.024 1.00 0.00 H new ATOM 0 HA ASP A 6 82.634 18.488 17.168 1.00 0.00 H new ATOM 0 HB2 ASP A 6 81.012 20.269 17.630 1.00 0.00 H new ATOM 0 HB3 ASP A 6 81.563 21.217 16.262 1.00 0.00 H new ATOM 94 N PRO A 7 83.191 17.731 14.945 1.00 0.00 N ATOM 95 CA PRO A 7 83.552 17.210 13.606 1.00 0.00 C ATOM 96 C PRO A 7 82.319 17.122 12.697 1.00 0.00 C ATOM 97 O PRO A 7 82.262 16.308 11.797 1.00 0.00 O ATOM 98 CB PRO A 7 84.089 15.817 13.906 1.00 0.00 C ATOM 99 CG PRO A 7 83.448 15.405 15.199 1.00 0.00 C ATOM 100 CD PRO A 7 82.998 16.655 15.919 1.00 0.00 C ATOM 0 HA PRO A 7 84.266 17.847 13.084 1.00 0.00 H new ATOM 0 HB2 PRO A 7 83.839 15.120 13.106 1.00 0.00 H new ATOM 0 HB3 PRO A 7 85.175 15.826 13.993 1.00 0.00 H new ATOM 0 HG2 PRO A 7 82.599 14.748 15.011 1.00 0.00 H new ATOM 0 HG3 PRO A 7 84.154 14.846 15.813 1.00 0.00 H new ATOM 0 HD2 PRO A 7 81.955 16.581 16.227 1.00 0.00 H new ATOM 0 HD3 PRO A 7 83.586 16.826 16.821 1.00 0.00 H new ATOM 108 N CYS A 8 81.336 17.948 12.928 1.00 0.00 N ATOM 109 CA CYS A 8 80.104 17.917 12.081 1.00 0.00 C ATOM 110 C CYS A 8 79.325 16.620 12.320 1.00 0.00 C ATOM 111 O CYS A 8 78.337 16.352 11.665 1.00 0.00 O ATOM 112 CB CYS A 8 80.596 17.989 10.631 1.00 0.00 C ATOM 113 SG CYS A 8 81.896 19.241 10.484 1.00 0.00 S ATOM 0 H CYS A 8 81.331 18.648 13.670 1.00 0.00 H new ATOM 0 HA CYS A 8 79.431 18.741 12.317 1.00 0.00 H new ATOM 0 HB2 CYS A 8 80.978 17.017 10.318 1.00 0.00 H new ATOM 0 HB3 CYS A 8 79.766 18.234 9.968 1.00 0.00 H new ATOM 0 HG CYS A 8 82.310 19.295 9.253 1.00 0.00 H new ATOM 119 N THR A 9 79.757 15.815 13.255 1.00 0.00 N ATOM 120 CA THR A 9 79.037 14.536 13.540 1.00 0.00 C ATOM 121 C THR A 9 79.186 13.556 12.370 1.00 0.00 C ATOM 122 O THR A 9 78.627 12.478 12.381 1.00 0.00 O ATOM 123 CB THR A 9 77.573 14.935 13.715 1.00 0.00 C ATOM 124 OG1 THR A 9 77.500 16.171 14.412 1.00 0.00 O ATOM 125 CG2 THR A 9 76.837 13.854 14.508 1.00 0.00 C ATOM 0 H THR A 9 80.578 15.987 13.835 1.00 0.00 H new ATOM 0 HA THR A 9 79.436 14.034 14.422 1.00 0.00 H new ATOM 0 HB THR A 9 77.107 15.042 12.736 1.00 0.00 H new ATOM 0 HG1 THR A 9 76.561 16.429 14.523 1.00 0.00 H new ATOM 0 HG21 THR A 9 75.793 14.141 14.632 1.00 0.00 H new ATOM 0 HG22 THR A 9 76.892 12.907 13.970 1.00 0.00 H new ATOM 0 HG23 THR A 9 77.301 13.742 15.488 1.00 0.00 H new ATOM 133 N SER A 10 79.928 13.921 11.362 1.00 0.00 N ATOM 134 CA SER A 10 80.102 13.005 10.198 1.00 0.00 C ATOM 135 C SER A 10 78.738 12.533 9.689 1.00 0.00 C ATOM 136 O SER A 10 78.598 11.440 9.178 1.00 0.00 O ATOM 137 CB SER A 10 80.909 11.826 10.739 1.00 0.00 C ATOM 138 OG SER A 10 80.030 10.748 11.029 1.00 0.00 O ATOM 0 H SER A 10 80.421 14.811 11.293 1.00 0.00 H new ATOM 0 HA SER A 10 80.603 13.491 9.361 1.00 0.00 H new ATOM 0 HB2 SER A 10 81.655 11.515 10.008 1.00 0.00 H new ATOM 0 HB3 SER A 10 81.449 12.122 11.639 1.00 0.00 H new ATOM 0 HG SER A 10 79.376 11.031 11.702 1.00 0.00 H new ATOM 144 N LYS A 11 77.728 13.350 9.826 1.00 0.00 N ATOM 145 CA LYS A 11 76.373 12.948 9.351 1.00 0.00 C ATOM 146 C LYS A 11 76.426 12.556 7.872 1.00 0.00 C ATOM 147 O LYS A 11 75.989 11.489 7.489 1.00 0.00 O ATOM 148 CB LYS A 11 75.499 14.186 9.548 1.00 0.00 C ATOM 149 CG LYS A 11 74.162 13.774 10.168 1.00 0.00 C ATOM 150 CD LYS A 11 74.258 13.860 11.693 1.00 0.00 C ATOM 151 CE LYS A 11 73.189 12.964 12.323 1.00 0.00 C ATOM 152 NZ LYS A 11 73.300 13.206 13.788 1.00 0.00 N ATOM 0 H LYS A 11 77.783 14.278 10.246 1.00 0.00 H new ATOM 0 HA LYS A 11 75.984 12.086 9.894 1.00 0.00 H new ATOM 0 HB2 LYS A 11 76.006 14.903 10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 11 75.331 14.682 8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 11 73.366 14.424 9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 11 73.907 12.758 9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 11 75.249 13.549 12.024 1.00 0.00 H new ATOM 0 HD3 LYS A 11 74.122 14.891 12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 11 72.195 13.217 11.955 1.00 0.00 H new ATOM 0 HE3 LYS A 11 73.361 11.915 12.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 72.487 12.777 14.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 74.180 12.781 14.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 73.311 14.230 13.971 1.00 0.00 H new ATOM 166 N LYS A 12 76.961 13.406 7.039 1.00 0.00 N ATOM 167 CA LYS A 12 77.042 13.072 5.588 1.00 0.00 C ATOM 168 C LYS A 12 78.268 12.201 5.318 1.00 0.00 C ATOM 169 O LYS A 12 78.622 11.937 4.185 1.00 0.00 O ATOM 170 CB LYS A 12 77.165 14.417 4.872 1.00 0.00 C ATOM 171 CG LYS A 12 78.519 15.049 5.199 1.00 0.00 C ATOM 172 CD LYS A 12 78.378 16.572 5.234 1.00 0.00 C ATOM 173 CE LYS A 12 79.395 17.158 6.216 1.00 0.00 C ATOM 174 NZ LYS A 12 78.576 17.820 7.269 1.00 0.00 N ATOM 0 H LYS A 12 77.345 14.315 7.299 1.00 0.00 H new ATOM 0 HA LYS A 12 76.173 12.512 5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 12 77.068 14.278 3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 12 76.358 15.081 5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 12 78.879 14.685 6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 12 79.257 14.759 4.452 1.00 0.00 H new ATOM 0 HD2 LYS A 12 78.539 16.985 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 12 77.367 16.847 5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 12 80.028 16.379 6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 12 80.055 17.871 5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 79.191 18.401 7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 77.859 18.426 6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 78.105 17.096 7.848 1.00 0.00 H new ATOM 188 N VAL A 13 78.909 11.741 6.353 1.00 0.00 N ATOM 189 CA VAL A 13 80.104 10.874 6.168 1.00 0.00 C ATOM 190 C VAL A 13 79.695 9.410 6.324 1.00 0.00 C ATOM 191 O VAL A 13 80.380 8.510 5.881 1.00 0.00 O ATOM 192 CB VAL A 13 81.072 11.287 7.277 1.00 0.00 C ATOM 193 CG1 VAL A 13 82.165 10.226 7.424 1.00 0.00 C ATOM 194 CG2 VAL A 13 81.712 12.630 6.919 1.00 0.00 C ATOM 0 H VAL A 13 78.656 11.929 7.323 1.00 0.00 H new ATOM 0 HA VAL A 13 80.557 10.983 5.183 1.00 0.00 H new ATOM 0 HB VAL A 13 80.528 11.380 8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.855 10.521 8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 13 81.711 9.268 7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 13 82.709 10.132 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.403 12.926 7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.255 12.535 5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 13 80.935 13.387 6.814 1.00 0.00 H new ATOM 204 N ARG A 14 78.574 9.170 6.947 1.00 0.00 N ATOM 205 CA ARG A 14 78.107 7.768 7.128 1.00 0.00 C ATOM 206 C ARG A 14 77.399 7.288 5.859 1.00 0.00 C ATOM 207 O ARG A 14 77.254 6.105 5.627 1.00 0.00 O ATOM 208 CB ARG A 14 77.131 7.824 8.303 1.00 0.00 C ATOM 209 CG ARG A 14 77.908 7.718 9.617 1.00 0.00 C ATOM 210 CD ARG A 14 77.391 8.769 10.601 1.00 0.00 C ATOM 211 NE ARG A 14 76.749 7.987 11.695 1.00 0.00 N ATOM 212 CZ ARG A 14 76.252 8.604 12.732 1.00 0.00 C ATOM 213 NH1 ARG A 14 76.967 9.486 13.372 1.00 0.00 N ATOM 214 NH2 ARG A 14 75.037 8.336 13.128 1.00 0.00 N ATOM 0 H ARG A 14 77.961 9.885 7.339 1.00 0.00 H new ATOM 0 HA ARG A 14 78.927 7.076 7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 14 76.566 8.756 8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 14 76.409 7.011 8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 14 77.793 6.720 10.040 1.00 0.00 H new ATOM 0 HG3 ARG A 14 78.972 7.867 9.436 1.00 0.00 H new ATOM 0 HD2 ARG A 14 78.204 9.387 10.982 1.00 0.00 H new ATOM 0 HD3 ARG A 14 76.677 9.440 10.123 1.00 0.00 H new ATOM 0 HE ARG A 14 76.698 6.970 11.633 1.00 0.00 H new ATOM 0 HH11 ARG A 14 77.916 9.695 13.062 1.00 0.00 H new ATOM 0 HH12 ARG A 14 76.577 9.968 14.182 1.00 0.00 H new ATOM 0 HH21 ARG A 14 74.478 7.645 12.627 1.00 0.00 H new ATOM 0 HH22 ARG A 14 74.647 8.817 13.938 1.00 0.00 H new ATOM 228 N ALA A 15 76.954 8.200 5.036 1.00 0.00 N ATOM 229 CA ALA A 15 76.258 7.796 3.787 1.00 0.00 C ATOM 230 C ALA A 15 77.278 7.419 2.708 1.00 0.00 C ATOM 231 O ALA A 15 76.924 6.927 1.654 1.00 0.00 O ATOM 232 CB ALA A 15 75.456 9.026 3.359 1.00 0.00 C ATOM 0 H ALA A 15 77.044 9.206 5.177 1.00 0.00 H new ATOM 0 HA ALA A 15 75.619 6.926 3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 15 74.913 8.805 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 15 74.748 9.290 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 15 76.135 9.861 3.187 1.00 0.00 H new ATOM 238 N ALA A 16 78.540 7.652 2.955 1.00 0.00 N ATOM 239 CA ALA A 16 79.571 7.309 1.933 1.00 0.00 C ATOM 240 C ALA A 16 80.004 5.852 2.071 1.00 0.00 C ATOM 241 O ALA A 16 79.870 5.066 1.155 1.00 0.00 O ATOM 242 CB ALA A 16 80.741 8.251 2.214 1.00 0.00 C ATOM 0 H ALA A 16 78.900 8.063 3.816 1.00 0.00 H new ATOM 0 HA ALA A 16 79.192 7.424 0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 16 81.542 8.059 1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 16 80.408 9.284 2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 16 81.109 8.083 3.226 1.00 0.00 H new ATOM 248 N ARG A 17 80.516 5.482 3.208 1.00 0.00 N ATOM 249 CA ARG A 17 80.949 4.066 3.394 1.00 0.00 C ATOM 250 C ARG A 17 79.729 3.139 3.383 1.00 0.00 C ATOM 251 O ARG A 17 79.854 1.930 3.444 1.00 0.00 O ATOM 252 CB ARG A 17 81.672 4.008 4.750 1.00 0.00 C ATOM 253 CG ARG A 17 80.918 4.808 5.823 1.00 0.00 C ATOM 254 CD ARG A 17 79.430 4.454 5.803 1.00 0.00 C ATOM 255 NE ARG A 17 78.911 4.858 7.139 1.00 0.00 N ATOM 256 CZ ARG A 17 79.499 4.439 8.226 1.00 0.00 C ATOM 257 NH1 ARG A 17 79.185 3.278 8.732 1.00 0.00 N ATOM 258 NH2 ARG A 17 80.400 5.184 8.807 1.00 0.00 N ATOM 0 H ARG A 17 80.654 6.092 4.014 1.00 0.00 H new ATOM 0 HA ARG A 17 81.609 3.738 2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 17 81.768 2.970 5.069 1.00 0.00 H new ATOM 0 HB3 ARG A 17 82.682 4.403 4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 17 81.336 4.594 6.807 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.047 5.876 5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 17 78.911 4.982 5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 17 79.282 3.388 5.629 1.00 0.00 H new ATOM 0 HE ARG A 17 78.093 5.464 7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 17 78.480 2.698 8.278 1.00 0.00 H new ATOM 0 HH12 ARG A 17 79.645 2.951 9.582 1.00 0.00 H new ATOM 0 HH21 ARG A 17 80.643 6.092 8.411 1.00 0.00 H new ATOM 0 HH22 ARG A 17 80.861 4.858 9.657 1.00 0.00 H new ATOM 272 N THR A 18 78.549 3.695 3.307 1.00 0.00 N ATOM 273 CA THR A 18 77.323 2.846 3.294 1.00 0.00 C ATOM 274 C THR A 18 76.588 3.001 1.963 1.00 0.00 C ATOM 275 O THR A 18 76.319 4.098 1.517 1.00 0.00 O ATOM 276 CB THR A 18 76.464 3.366 4.447 1.00 0.00 C ATOM 277 OG1 THR A 18 77.178 3.226 5.668 1.00 0.00 O ATOM 278 CG2 THR A 18 75.166 2.562 4.520 1.00 0.00 C ATOM 0 H THR A 18 78.382 4.700 3.253 1.00 0.00 H new ATOM 0 HA THR A 18 77.554 1.787 3.407 1.00 0.00 H new ATOM 0 HB THR A 18 76.230 4.417 4.281 1.00 0.00 H new ATOM 0 HG1 THR A 18 76.629 3.560 6.408 1.00 0.00 H new ATOM 0 HG21 THR A 18 74.554 2.933 5.342 1.00 0.00 H new ATOM 0 HG22 THR A 18 74.619 2.669 3.583 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.398 1.510 4.687 1.00 0.00 H new ATOM 286 N LEU A 19 76.254 1.909 1.326 1.00 0.00 N ATOM 287 CA LEU A 19 75.530 2.005 0.026 1.00 0.00 C ATOM 288 C LEU A 19 74.055 1.678 0.234 1.00 0.00 C ATOM 289 O LEU A 19 73.685 0.975 1.157 1.00 0.00 O ATOM 290 CB LEU A 19 76.153 0.963 -0.912 1.00 0.00 C ATOM 291 CG LEU A 19 77.674 0.859 -0.728 1.00 0.00 C ATOM 292 CD1 LEU A 19 78.297 2.226 -0.425 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.972 -0.107 0.413 1.00 0.00 C ATOM 0 H LEU A 19 76.450 0.961 1.648 1.00 0.00 H new ATOM 0 HA LEU A 19 75.609 3.009 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.698 -0.010 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 19 75.930 1.227 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 19 78.111 0.492 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 19 79.374 2.115 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.095 2.909 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.865 2.627 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 19 79.050 -0.186 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.516 0.263 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 19 77.563 -1.089 0.175 1.00 0.00 H new ATOM 305 N LEU A 20 73.210 2.168 -0.622 1.00 0.00 N ATOM 306 CA LEU A 20 71.753 1.871 -0.477 1.00 0.00 C ATOM 307 C LEU A 20 71.319 0.816 -1.497 1.00 0.00 C ATOM 308 O LEU A 20 70.982 1.132 -2.621 1.00 0.00 O ATOM 309 CB LEU A 20 71.038 3.194 -0.750 1.00 0.00 C ATOM 310 CG LEU A 20 69.616 3.125 -0.191 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.630 3.508 1.290 1.00 0.00 C ATOM 312 CD2 LEU A 20 68.718 4.096 -0.961 1.00 0.00 C ATOM 0 H LEU A 20 73.458 2.760 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 20 71.518 1.477 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.583 4.017 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 20 71.011 3.391 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 20 69.232 2.111 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.617 3.459 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 20 70.269 2.816 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 20 70.014 4.522 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.704 4.047 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 20 69.102 5.110 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 20 68.707 3.823 -2.016 1.00 0.00 H new ATOM 324 N ALA A 21 71.312 -0.435 -1.118 1.00 0.00 N ATOM 325 CA ALA A 21 70.883 -1.492 -2.077 1.00 0.00 C ATOM 326 C ALA A 21 69.393 -1.325 -2.380 1.00 0.00 C ATOM 327 O ALA A 21 68.626 -0.916 -1.532 1.00 0.00 O ATOM 328 CB ALA A 21 71.143 -2.815 -1.358 1.00 0.00 C ATOM 0 H ALA A 21 71.583 -0.768 -0.193 1.00 0.00 H new ATOM 0 HA ALA A 21 71.418 -1.443 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.851 -3.643 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 21 72.203 -2.897 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.560 -2.849 -0.437 1.00 0.00 H new ATOM 334 N LYS A 22 68.977 -1.631 -3.578 1.00 0.00 N ATOM 335 CA LYS A 22 67.533 -1.479 -3.922 1.00 0.00 C ATOM 336 C LYS A 22 67.131 -2.493 -4.995 1.00 0.00 C ATOM 337 O LYS A 22 67.952 -3.228 -5.508 1.00 0.00 O ATOM 338 CB LYS A 22 67.401 -0.052 -4.454 1.00 0.00 C ATOM 339 CG LYS A 22 66.840 0.854 -3.356 1.00 0.00 C ATOM 340 CD LYS A 22 65.984 1.953 -3.986 1.00 0.00 C ATOM 341 CE LYS A 22 64.710 1.339 -4.572 1.00 0.00 C ATOM 342 NZ LYS A 22 64.018 2.467 -5.255 1.00 0.00 N ATOM 0 H LYS A 22 69.571 -1.978 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 22 66.885 -1.656 -3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.373 0.316 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 22 66.744 -0.036 -5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 22 66.242 0.269 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 22 67.655 1.297 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.727 2.702 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 22 66.547 2.463 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 22 64.944 0.537 -5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 22 64.084 0.907 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.198 2.104 -5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.696 3.157 -4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.676 2.929 -5.915 1.00 0.00 H new ATOM 356 N ASN A 23 65.874 -2.536 -5.338 1.00 0.00 N ATOM 357 CA ASN A 23 65.417 -3.502 -6.378 1.00 0.00 C ATOM 358 C ASN A 23 65.618 -4.941 -5.891 1.00 0.00 C ATOM 359 O ASN A 23 65.653 -5.872 -6.671 1.00 0.00 O ATOM 360 CB ASN A 23 66.298 -3.220 -7.596 1.00 0.00 C ATOM 361 CG ASN A 23 65.607 -3.737 -8.858 1.00 0.00 C ATOM 362 OD1 ASN A 23 65.092 -2.966 -9.642 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.575 -5.022 -9.089 1.00 0.00 N ATOM 0 H ASN A 23 65.143 -1.944 -4.944 1.00 0.00 H new ATOM 0 HA ASN A 23 64.357 -3.390 -6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.484 -2.150 -7.683 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.268 -3.703 -7.476 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.117 -5.378 -9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 23 66.008 -5.670 -8.430 1.00 0.00 H new ATOM 370 N LEU A 24 65.750 -5.128 -4.605 1.00 0.00 N ATOM 371 CA LEU A 24 65.949 -6.507 -4.069 1.00 0.00 C ATOM 372 C LEU A 24 64.634 -7.289 -4.125 1.00 0.00 C ATOM 373 O LEU A 24 63.713 -6.925 -4.829 1.00 0.00 O ATOM 374 CB LEU A 24 66.393 -6.307 -2.619 1.00 0.00 C ATOM 375 CG LEU A 24 67.917 -6.207 -2.561 1.00 0.00 C ATOM 376 CD1 LEU A 24 68.345 -5.741 -1.168 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.528 -7.581 -2.850 1.00 0.00 C ATOM 0 H LEU A 24 65.729 -4.388 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 24 66.681 -7.074 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.943 -5.402 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.049 -7.139 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 24 68.264 -5.490 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.432 -5.670 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.909 -4.764 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.000 -6.457 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.615 -7.512 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.182 -8.297 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.223 -7.914 -3.842 1.00 0.00 H new ATOM 389 N SER A 25 64.539 -8.361 -3.387 1.00 0.00 N ATOM 390 CA SER A 25 63.284 -9.164 -3.396 1.00 0.00 C ATOM 391 C SER A 25 62.619 -9.114 -2.020 1.00 0.00 C ATOM 392 O SER A 25 63.033 -8.378 -1.146 1.00 0.00 O ATOM 393 CB SER A 25 63.728 -10.589 -3.724 1.00 0.00 C ATOM 394 OG SER A 25 62.745 -11.505 -3.260 1.00 0.00 O ATOM 0 H SER A 25 65.277 -8.715 -2.778 1.00 0.00 H new ATOM 0 HA SER A 25 62.557 -8.788 -4.116 1.00 0.00 H new ATOM 0 HB2 SER A 25 63.867 -10.701 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 25 64.689 -10.800 -3.255 1.00 0.00 H new ATOM 0 HG SER A 25 63.026 -12.420 -3.470 1.00 0.00 H new ATOM 400 N PHE A 26 61.593 -9.891 -1.818 1.00 0.00 N ATOM 401 CA PHE A 26 60.905 -9.888 -0.501 1.00 0.00 C ATOM 402 C PHE A 26 61.481 -10.988 0.393 1.00 0.00 C ATOM 403 O PHE A 26 61.371 -10.941 1.602 1.00 0.00 O ATOM 404 CB PHE A 26 59.442 -10.169 -0.833 1.00 0.00 C ATOM 405 CG PHE A 26 58.658 -8.881 -0.779 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.963 -7.838 -1.664 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.624 -8.726 0.152 1.00 0.00 C ATOM 408 CE1 PHE A 26 58.236 -6.643 -1.616 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.896 -7.531 0.199 1.00 0.00 C ATOM 410 CZ PHE A 26 57.202 -6.490 -0.685 1.00 0.00 C ATOM 0 H PHE A 26 61.201 -10.529 -2.511 1.00 0.00 H new ATOM 0 HA PHE A 26 61.029 -8.949 0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.362 -10.615 -1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.029 -10.889 -0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.760 -7.956 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.388 -9.529 0.835 1.00 0.00 H new ATOM 0 HE1 PHE A 26 58.473 -5.839 -2.297 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.098 -7.413 0.917 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.640 -5.568 -0.649 1.00 0.00 H new ATOM 420 N ASN A 27 62.096 -11.979 -0.194 1.00 0.00 N ATOM 421 CA ASN A 27 62.679 -13.080 0.616 1.00 0.00 C ATOM 422 C ASN A 27 64.173 -12.836 0.850 1.00 0.00 C ATOM 423 O ASN A 27 64.728 -13.247 1.850 1.00 0.00 O ATOM 424 CB ASN A 27 62.465 -14.343 -0.219 1.00 0.00 C ATOM 425 CG ASN A 27 62.748 -15.577 0.640 1.00 0.00 C ATOM 426 OD1 ASN A 27 63.628 -15.561 1.477 1.00 0.00 O ATOM 427 ND2 ASN A 27 62.033 -16.656 0.468 1.00 0.00 N ATOM 0 H ASN A 27 62.219 -12.071 -1.202 1.00 0.00 H new ATOM 0 HA ASN A 27 62.215 -13.158 1.599 1.00 0.00 H new ATOM 0 HB2 ASN A 27 61.442 -14.375 -0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.123 -14.333 -1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 27 62.214 -17.484 1.036 1.00 0.00 H new ATOM 0 HD22 ASN A 27 61.294 -16.671 -0.234 1.00 0.00 H new ATOM 434 N ILE A 28 64.829 -12.170 -0.063 1.00 0.00 N ATOM 435 CA ILE A 28 66.287 -11.901 0.114 1.00 0.00 C ATOM 436 C ILE A 28 66.564 -11.420 1.541 1.00 0.00 C ATOM 437 O ILE A 28 65.667 -11.019 2.255 1.00 0.00 O ATOM 438 CB ILE A 28 66.613 -10.802 -0.897 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.123 -10.557 -0.916 1.00 0.00 C ATOM 440 CG2 ILE A 28 65.892 -9.511 -0.502 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.605 -10.439 -2.362 1.00 0.00 C ATOM 0 H ILE A 28 64.420 -11.801 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 28 66.895 -12.792 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 28 66.282 -11.113 -1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.361 -9.646 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.641 -11.375 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.126 -8.728 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 28 64.816 -9.684 -0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.220 -9.200 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.681 -10.264 -2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.381 -11.362 -2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.097 -9.606 -2.848 1.00 0.00 H new ATOM 453 N THR A 29 67.799 -11.461 1.966 1.00 0.00 N ATOM 454 CA THR A 29 68.123 -11.009 3.350 1.00 0.00 C ATOM 455 C THR A 29 69.609 -10.659 3.470 1.00 0.00 C ATOM 456 O THR A 29 70.365 -10.749 2.518 1.00 0.00 O ATOM 457 CB THR A 29 67.794 -12.207 4.240 1.00 0.00 C ATOM 458 OG1 THR A 29 68.340 -13.385 3.661 1.00 0.00 O ATOM 459 CG2 THR A 29 66.278 -12.354 4.369 1.00 0.00 C ATOM 0 H THR A 29 68.594 -11.787 1.417 1.00 0.00 H new ATOM 0 HA THR A 29 67.563 -10.116 3.628 1.00 0.00 H new ATOM 0 HB THR A 29 68.223 -12.053 5.230 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.133 -14.156 4.230 1.00 0.00 H new ATOM 0 HG21 THR A 29 66.048 -13.209 5.004 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.861 -11.450 4.813 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.842 -12.508 3.382 1.00 0.00 H new ATOM 467 N GLU A 30 70.035 -10.268 4.642 1.00 0.00 N ATOM 468 CA GLU A 30 71.470 -9.923 4.834 1.00 0.00 C ATOM 469 C GLU A 30 72.341 -11.089 4.370 1.00 0.00 C ATOM 470 O GLU A 30 73.470 -10.909 3.964 1.00 0.00 O ATOM 471 CB GLU A 30 71.628 -9.695 6.337 1.00 0.00 C ATOM 472 CG GLU A 30 72.175 -8.288 6.584 1.00 0.00 C ATOM 473 CD GLU A 30 73.285 -8.348 7.634 1.00 0.00 C ATOM 474 OE1 GLU A 30 73.079 -8.993 8.650 1.00 0.00 O ATOM 475 OE2 GLU A 30 74.322 -7.748 7.406 1.00 0.00 O ATOM 0 H GLU A 30 69.450 -10.173 5.472 1.00 0.00 H new ATOM 0 HA GLU A 30 71.772 -9.045 4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.667 -9.816 6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 30 72.303 -10.439 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.561 -7.868 5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.375 -7.630 6.923 1.00 0.00 H new ATOM 482 N ASP A 31 71.818 -12.283 4.416 1.00 0.00 N ATOM 483 CA ASP A 31 72.613 -13.459 3.965 1.00 0.00 C ATOM 484 C ASP A 31 72.969 -13.290 2.489 1.00 0.00 C ATOM 485 O ASP A 31 74.123 -13.296 2.110 1.00 0.00 O ATOM 486 CB ASP A 31 71.695 -14.665 4.165 1.00 0.00 C ATOM 487 CG ASP A 31 72.536 -15.896 4.509 1.00 0.00 C ATOM 488 OD1 ASP A 31 73.627 -15.718 5.025 1.00 0.00 O ATOM 489 OD2 ASP A 31 72.075 -16.995 4.251 1.00 0.00 O ATOM 0 H ASP A 31 70.876 -12.495 4.746 1.00 0.00 H new ATOM 0 HA ASP A 31 73.546 -13.574 4.516 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.982 -14.464 4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.116 -14.849 3.260 1.00 0.00 H new ATOM 494 N GLU A 32 71.981 -13.125 1.657 1.00 0.00 N ATOM 495 CA GLU A 32 72.256 -12.936 0.205 1.00 0.00 C ATOM 496 C GLU A 32 73.033 -11.638 -0.002 1.00 0.00 C ATOM 497 O GLU A 32 73.959 -11.564 -0.792 1.00 0.00 O ATOM 498 CB GLU A 32 70.880 -12.853 -0.457 1.00 0.00 C ATOM 499 CG GLU A 32 70.213 -14.229 -0.426 1.00 0.00 C ATOM 500 CD GLU A 32 68.724 -14.083 -0.743 1.00 0.00 C ATOM 501 OE1 GLU A 32 68.410 -13.447 -1.735 1.00 0.00 O ATOM 502 OE2 GLU A 32 67.923 -14.609 0.012 1.00 0.00 O ATOM 0 H GLU A 32 70.995 -13.113 1.918 1.00 0.00 H new ATOM 0 HA GLU A 32 72.854 -13.744 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.258 -12.124 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.980 -12.509 -1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 32 70.687 -14.891 -1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.343 -14.686 0.555 1.00 0.00 H new ATOM 509 N LEU A 33 72.680 -10.618 0.728 1.00 0.00 N ATOM 510 CA LEU A 33 73.406 -9.332 0.600 1.00 0.00 C ATOM 511 C LEU A 33 74.812 -9.529 1.143 1.00 0.00 C ATOM 512 O LEU A 33 75.768 -8.943 0.673 1.00 0.00 O ATOM 513 CB LEU A 33 72.620 -8.338 1.455 1.00 0.00 C ATOM 514 CG LEU A 33 71.165 -8.298 0.985 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.353 -7.389 1.908 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.109 -7.753 -0.444 1.00 0.00 C ATOM 0 H LEU A 33 71.919 -10.623 1.407 1.00 0.00 H new ATOM 0 HA LEU A 33 73.487 -8.977 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.666 -8.629 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.065 -7.346 1.379 1.00 0.00 H new ATOM 0 HG LEU A 33 70.747 -9.305 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.317 -7.362 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.394 -7.775 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.769 -6.382 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.073 -7.723 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.527 -6.747 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.687 -8.400 -1.103 1.00 0.00 H new ATOM 528 N LYS A 34 74.942 -10.379 2.123 1.00 0.00 N ATOM 529 CA LYS A 34 76.280 -10.649 2.693 1.00 0.00 C ATOM 530 C LYS A 34 77.030 -11.593 1.761 1.00 0.00 C ATOM 531 O LYS A 34 78.243 -11.652 1.748 1.00 0.00 O ATOM 532 CB LYS A 34 76.022 -11.308 4.049 1.00 0.00 C ATOM 533 CG LYS A 34 77.357 -11.598 4.739 1.00 0.00 C ATOM 534 CD LYS A 34 77.600 -13.108 4.768 1.00 0.00 C ATOM 535 CE LYS A 34 78.779 -13.418 5.694 1.00 0.00 C ATOM 536 NZ LYS A 34 78.512 -14.790 6.210 1.00 0.00 N ATOM 0 H LYS A 34 74.174 -10.897 2.551 1.00 0.00 H new ATOM 0 HA LYS A 34 76.883 -9.748 2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.413 -10.654 4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.462 -12.233 3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 34 78.168 -11.099 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.347 -11.201 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 34 76.705 -13.624 5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 34 77.808 -13.473 3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 34 79.726 -13.376 5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.843 -12.696 6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.278 -15.074 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 77.608 -14.798 6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 78.463 -15.457 5.414 1.00 0.00 H new ATOM 550 N GLU A 35 76.297 -12.318 0.970 1.00 0.00 N ATOM 551 CA GLU A 35 76.927 -13.257 0.008 1.00 0.00 C ATOM 552 C GLU A 35 77.414 -12.479 -1.212 1.00 0.00 C ATOM 553 O GLU A 35 78.441 -12.779 -1.787 1.00 0.00 O ATOM 554 CB GLU A 35 75.817 -14.236 -0.381 1.00 0.00 C ATOM 555 CG GLU A 35 76.357 -15.239 -1.402 1.00 0.00 C ATOM 556 CD GLU A 35 75.203 -15.773 -2.252 1.00 0.00 C ATOM 557 OE1 GLU A 35 74.509 -14.966 -2.848 1.00 0.00 O ATOM 558 OE2 GLU A 35 75.033 -16.981 -2.295 1.00 0.00 O ATOM 0 H GLU A 35 75.277 -12.300 0.949 1.00 0.00 H new ATOM 0 HA GLU A 35 77.788 -13.777 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.454 -14.760 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.970 -13.694 -0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.101 -14.761 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 35 76.857 -16.062 -0.890 1.00 0.00 H new ATOM 565 N VAL A 36 76.685 -11.468 -1.602 1.00 0.00 N ATOM 566 CA VAL A 36 77.107 -10.654 -2.772 1.00 0.00 C ATOM 567 C VAL A 36 78.151 -9.635 -2.325 1.00 0.00 C ATOM 568 O VAL A 36 79.114 -9.367 -3.016 1.00 0.00 O ATOM 569 CB VAL A 36 75.836 -9.944 -3.241 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.113 -9.218 -4.560 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.723 -10.972 -3.445 1.00 0.00 C ATOM 0 H VAL A 36 75.815 -11.173 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 36 77.550 -11.255 -3.567 1.00 0.00 H new ATOM 0 HB VAL A 36 75.526 -9.220 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.207 -8.712 -4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.905 -8.484 -4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.424 -9.940 -5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.817 -10.466 -3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.032 -11.698 -4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.525 -11.486 -2.504 1.00 0.00 H new ATOM 581 N PHE A 37 77.960 -9.060 -1.170 1.00 0.00 N ATOM 582 CA PHE A 37 78.921 -8.057 -0.670 1.00 0.00 C ATOM 583 C PHE A 37 79.768 -8.644 0.463 1.00 0.00 C ATOM 584 O PHE A 37 79.741 -8.170 1.581 1.00 0.00 O ATOM 585 CB PHE A 37 78.036 -6.930 -0.155 1.00 0.00 C ATOM 586 CG PHE A 37 77.253 -6.351 -1.306 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.923 -5.878 -2.440 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.856 -6.292 -1.242 1.00 0.00 C ATOM 589 CE1 PHE A 37 77.195 -5.346 -3.511 1.00 0.00 C ATOM 590 CE2 PHE A 37 75.129 -5.763 -2.314 1.00 0.00 C ATOM 591 CZ PHE A 37 75.799 -5.289 -3.448 1.00 0.00 C ATOM 0 H PHE A 37 77.171 -9.248 -0.552 1.00 0.00 H new ATOM 0 HA PHE A 37 79.623 -7.724 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.357 -7.305 0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.646 -6.156 0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 37 79.001 -5.923 -2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.340 -6.655 -0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 37 77.711 -4.980 -4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 37 74.051 -5.720 -2.267 1.00 0.00 H new ATOM 0 HZ PHE A 37 75.238 -4.879 -4.275 1.00 0.00 H new ATOM 601 N GLU A 38 80.519 -9.673 0.183 1.00 0.00 N ATOM 602 CA GLU A 38 81.367 -10.288 1.245 1.00 0.00 C ATOM 603 C GLU A 38 82.546 -9.369 1.576 1.00 0.00 C ATOM 604 O GLU A 38 83.337 -9.652 2.454 1.00 0.00 O ATOM 605 CB GLU A 38 81.862 -11.602 0.643 1.00 0.00 C ATOM 606 CG GLU A 38 80.693 -12.582 0.526 1.00 0.00 C ATOM 607 CD GLU A 38 81.171 -13.872 -0.143 1.00 0.00 C ATOM 608 OE1 GLU A 38 81.361 -13.856 -1.348 1.00 0.00 O ATOM 609 OE2 GLU A 38 81.339 -14.854 0.561 1.00 0.00 O ATOM 0 H GLU A 38 80.583 -10.115 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 38 80.819 -10.447 2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 38 82.300 -11.422 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.646 -12.028 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 38 80.288 -12.801 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 38 79.887 -12.135 -0.056 1.00 0.00 H new ATOM 616 N ASP A 39 82.669 -8.271 0.882 1.00 0.00 N ATOM 617 CA ASP A 39 83.796 -7.335 1.157 1.00 0.00 C ATOM 618 C ASP A 39 83.308 -6.137 1.974 1.00 0.00 C ATOM 619 O ASP A 39 84.010 -5.159 2.135 1.00 0.00 O ATOM 620 CB ASP A 39 84.281 -6.882 -0.220 1.00 0.00 C ATOM 621 CG ASP A 39 85.721 -6.381 -0.116 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.621 -7.201 -0.207 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.902 -5.187 0.052 1.00 0.00 O ATOM 0 H ASP A 39 82.037 -7.981 0.136 1.00 0.00 H new ATOM 0 HA ASP A 39 84.590 -7.808 1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 39 84.223 -7.709 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.636 -6.090 -0.602 1.00 0.00 H new ATOM 628 N ALA A 40 82.111 -6.202 2.491 1.00 0.00 N ATOM 629 CA ALA A 40 81.594 -5.061 3.294 1.00 0.00 C ATOM 630 C ALA A 40 81.610 -5.405 4.786 1.00 0.00 C ATOM 631 O ALA A 40 81.776 -6.547 5.168 1.00 0.00 O ATOM 632 CB ALA A 40 80.158 -4.852 2.809 1.00 0.00 C ATOM 0 H ALA A 40 81.473 -6.992 2.392 1.00 0.00 H new ATOM 0 HA ALA A 40 82.202 -4.165 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.706 -4.024 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.164 -4.623 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.580 -5.760 2.982 1.00 0.00 H new ATOM 638 N LEU A 41 81.433 -4.426 5.633 1.00 0.00 N ATOM 639 CA LEU A 41 81.431 -4.697 7.095 1.00 0.00 C ATOM 640 C LEU A 41 80.137 -5.402 7.480 1.00 0.00 C ATOM 641 O LEU A 41 80.132 -6.378 8.204 1.00 0.00 O ATOM 642 CB LEU A 41 81.478 -3.324 7.765 1.00 0.00 C ATOM 643 CG LEU A 41 82.639 -2.508 7.209 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.441 -1.040 7.590 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.948 -3.020 7.807 1.00 0.00 C ATOM 0 H LEU A 41 81.290 -3.450 5.373 1.00 0.00 H new ATOM 0 HA LEU A 41 82.267 -5.329 7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.539 -2.796 7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.589 -3.441 8.843 1.00 0.00 H new ATOM 0 HG LEU A 41 82.676 -2.604 6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.267 -0.447 7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.503 -0.678 7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.412 -0.947 8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.781 -2.438 7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.917 -2.918 8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 41 84.082 -4.070 7.545 1.00 0.00 H new ATOM 657 N GLU A 42 79.039 -4.897 7.002 1.00 0.00 N ATOM 658 CA GLU A 42 77.726 -5.509 7.333 1.00 0.00 C ATOM 659 C GLU A 42 76.649 -4.980 6.389 1.00 0.00 C ATOM 660 O GLU A 42 76.861 -4.033 5.656 1.00 0.00 O ATOM 661 CB GLU A 42 77.445 -5.076 8.772 1.00 0.00 C ATOM 662 CG GLU A 42 77.263 -3.559 8.822 1.00 0.00 C ATOM 663 CD GLU A 42 77.081 -3.113 10.273 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.130 -3.557 10.895 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.897 -2.335 10.739 1.00 0.00 O ATOM 0 H GLU A 42 78.994 -4.081 6.392 1.00 0.00 H new ATOM 0 HA GLU A 42 77.732 -6.594 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 42 76.549 -5.573 9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 42 78.268 -5.376 9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.130 -3.064 8.385 1.00 0.00 H new ATOM 0 HG3 GLU A 42 76.396 -3.267 8.229 1.00 0.00 H new ATOM 672 N ILE A 43 75.500 -5.588 6.395 1.00 0.00 N ATOM 673 CA ILE A 43 74.413 -5.125 5.491 1.00 0.00 C ATOM 674 C ILE A 43 73.086 -5.049 6.243 1.00 0.00 C ATOM 675 O ILE A 43 72.800 -5.854 7.106 1.00 0.00 O ATOM 676 CB ILE A 43 74.347 -6.180 4.392 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.716 -6.280 3.712 1.00 0.00 C ATOM 678 CG2 ILE A 43 73.283 -5.780 3.367 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.587 -7.046 2.394 1.00 0.00 C ATOM 0 H ILE A 43 75.265 -6.385 6.986 1.00 0.00 H new ATOM 0 HA ILE A 43 74.603 -4.128 5.094 1.00 0.00 H new ATOM 0 HB ILE A 43 74.084 -7.147 4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 43 76.113 -5.282 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.422 -6.786 4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 43 73.234 -6.533 2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 43 72.313 -5.706 3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.543 -4.816 2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.564 -7.114 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.210 -8.049 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.895 -6.522 1.735 1.00 0.00 H new ATOM 691 N ARG A 44 72.277 -4.083 5.920 1.00 0.00 N ATOM 692 CA ARG A 44 70.970 -3.941 6.602 1.00 0.00 C ATOM 693 C ARG A 44 69.858 -3.943 5.546 1.00 0.00 C ATOM 694 O ARG A 44 70.097 -3.677 4.384 1.00 0.00 O ATOM 695 CB ARG A 44 71.096 -2.596 7.335 1.00 0.00 C ATOM 696 CG ARG A 44 69.761 -1.848 7.361 1.00 0.00 C ATOM 697 CD ARG A 44 68.884 -2.400 8.488 1.00 0.00 C ATOM 698 NE ARG A 44 67.547 -1.782 8.271 1.00 0.00 N ATOM 699 CZ ARG A 44 67.128 -0.834 9.064 1.00 0.00 C ATOM 700 NH1 ARG A 44 66.479 -1.137 10.155 1.00 0.00 N ATOM 701 NH2 ARG A 44 67.355 0.415 8.765 1.00 0.00 N ATOM 0 H ARG A 44 72.469 -3.381 5.206 1.00 0.00 H new ATOM 0 HA ARG A 44 70.723 -4.744 7.296 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.439 -2.767 8.355 1.00 0.00 H new ATOM 0 HB3 ARG A 44 71.850 -1.981 6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 44 69.933 -0.782 7.509 1.00 0.00 H new ATOM 0 HG3 ARG A 44 69.252 -1.958 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 44 68.828 -3.488 8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.286 -2.138 9.466 1.00 0.00 H new ATOM 0 HE ARG A 44 66.958 -2.100 7.502 1.00 0.00 H new ATOM 0 HH11 ARG A 44 66.300 -2.114 10.387 1.00 0.00 H new ATOM 0 HH12 ARG A 44 66.151 -0.397 10.776 1.00 0.00 H new ATOM 0 HH21 ARG A 44 67.860 0.651 7.911 1.00 0.00 H new ATOM 0 HH22 ARG A 44 67.027 1.156 9.385 1.00 0.00 H new ATOM 715 N LEU A 45 68.651 -4.242 5.932 1.00 0.00 N ATOM 716 CA LEU A 45 67.540 -4.261 4.940 1.00 0.00 C ATOM 717 C LEU A 45 66.722 -2.975 5.045 1.00 0.00 C ATOM 718 O LEU A 45 66.777 -2.273 6.034 1.00 0.00 O ATOM 719 CB LEU A 45 66.689 -5.474 5.316 1.00 0.00 C ATOM 720 CG LEU A 45 66.573 -6.405 4.108 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.567 -7.514 4.415 1.00 0.00 C ATOM 722 CD2 LEU A 45 66.094 -5.606 2.893 1.00 0.00 C ATOM 0 H LEU A 45 68.385 -4.474 6.889 1.00 0.00 H new ATOM 0 HA LEU A 45 67.902 -4.325 3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.140 -6.003 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.699 -5.152 5.638 1.00 0.00 H new ATOM 0 HG LEU A 45 67.547 -6.845 3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.484 -8.178 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 45 65.906 -8.083 5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 45 64.593 -7.073 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 45 66.011 -6.269 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.120 -5.166 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 45 66.809 -4.814 2.674 1.00 0.00 H new ATOM 734 N VAL A 46 65.968 -2.655 4.033 1.00 0.00 N ATOM 735 CA VAL A 46 65.159 -1.408 4.082 1.00 0.00 C ATOM 736 C VAL A 46 63.943 -1.514 3.158 1.00 0.00 C ATOM 737 O VAL A 46 64.013 -2.059 2.067 1.00 0.00 O ATOM 738 CB VAL A 46 66.108 -0.312 3.608 1.00 0.00 C ATOM 739 CG1 VAL A 46 65.369 1.027 3.587 1.00 0.00 C ATOM 740 CG2 VAL A 46 67.298 -0.226 4.566 1.00 0.00 C ATOM 0 H VAL A 46 65.877 -3.201 3.176 1.00 0.00 H new ATOM 0 HA VAL A 46 64.767 -1.209 5.080 1.00 0.00 H new ATOM 0 HB VAL A 46 66.464 -0.544 2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 46 66.046 1.811 3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 46 64.519 0.963 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 46 65.014 1.262 4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.979 0.556 4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.941 0.008 5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.822 -1.181 4.581 1.00 0.00 H new ATOM 750 N SER A 47 62.826 -0.994 3.594 1.00 0.00 N ATOM 751 CA SER A 47 61.593 -1.053 2.763 1.00 0.00 C ATOM 752 C SER A 47 60.799 0.249 2.897 1.00 0.00 C ATOM 753 O SER A 47 61.234 1.190 3.532 1.00 0.00 O ATOM 754 CB SER A 47 60.799 -2.228 3.331 1.00 0.00 C ATOM 755 OG SER A 47 61.668 -3.339 3.509 1.00 0.00 O ATOM 0 H SER A 47 62.717 -0.529 4.495 1.00 0.00 H new ATOM 0 HA SER A 47 61.812 -1.179 1.703 1.00 0.00 H new ATOM 0 HB2 SER A 47 60.346 -1.950 4.283 1.00 0.00 H new ATOM 0 HB3 SER A 47 59.985 -2.492 2.656 1.00 0.00 H new ATOM 0 HG SER A 47 61.236 -4.003 4.086 1.00 0.00 H new ATOM 761 N GLN A 48 59.639 0.309 2.303 1.00 0.00 N ATOM 762 CA GLN A 48 58.818 1.552 2.395 1.00 0.00 C ATOM 763 C GLN A 48 58.328 1.759 3.832 1.00 0.00 C ATOM 764 O GLN A 48 58.650 0.999 4.723 1.00 0.00 O ATOM 765 CB GLN A 48 57.637 1.315 1.454 1.00 0.00 C ATOM 766 CG GLN A 48 57.202 2.646 0.837 1.00 0.00 C ATOM 767 CD GLN A 48 57.158 2.512 -0.686 1.00 0.00 C ATOM 768 OE1 GLN A 48 57.427 1.456 -1.224 1.00 0.00 O ATOM 769 NE2 GLN A 48 56.827 3.546 -1.410 1.00 0.00 N ATOM 0 H GLN A 48 59.224 -0.447 1.758 1.00 0.00 H new ATOM 0 HA GLN A 48 59.384 2.443 2.123 1.00 0.00 H new ATOM 0 HB2 GLN A 48 57.919 0.613 0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 48 56.807 0.867 2.000 1.00 0.00 H new ATOM 0 HG2 GLN A 48 56.221 2.931 1.216 1.00 0.00 H new ATOM 0 HG3 GLN A 48 57.896 3.436 1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 48 56.601 4.433 -0.959 1.00 0.00 H new ATOM 0 HE22 GLN A 48 56.794 3.467 -2.426 1.00 0.00 H new ATOM 778 N ASP A 49 57.553 2.784 4.061 1.00 0.00 N ATOM 779 CA ASP A 49 57.043 3.040 5.439 1.00 0.00 C ATOM 780 C ASP A 49 56.594 1.729 6.089 1.00 0.00 C ATOM 781 O ASP A 49 56.603 1.588 7.296 1.00 0.00 O ATOM 782 CB ASP A 49 55.852 3.980 5.252 1.00 0.00 C ATOM 783 CG ASP A 49 55.850 5.031 6.364 1.00 0.00 C ATOM 784 OD1 ASP A 49 55.686 4.649 7.511 1.00 0.00 O ATOM 785 OD2 ASP A 49 56.013 6.198 6.050 1.00 0.00 O ATOM 0 H ASP A 49 57.251 3.455 3.355 1.00 0.00 H new ATOM 0 HA ASP A 49 57.805 3.471 6.088 1.00 0.00 H new ATOM 0 HB2 ASP A 49 55.909 4.466 4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 49 54.921 3.413 5.272 1.00 0.00 H new ATOM 790 N GLY A 50 56.204 0.768 5.299 1.00 0.00 N ATOM 791 CA GLY A 50 55.756 -0.533 5.870 1.00 0.00 C ATOM 792 C GLY A 50 55.523 -1.536 4.739 1.00 0.00 C ATOM 793 O GLY A 50 54.485 -2.161 4.656 1.00 0.00 O ATOM 0 H GLY A 50 56.176 0.827 4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 50 56.507 -0.916 6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 50 54.838 -0.394 6.442 1.00 0.00 H new ATOM 797 N LYS A 51 56.481 -1.694 3.867 1.00 0.00 N ATOM 798 CA LYS A 51 56.314 -2.656 2.742 1.00 0.00 C ATOM 799 C LYS A 51 57.673 -2.959 2.112 1.00 0.00 C ATOM 800 O LYS A 51 58.304 -2.097 1.534 1.00 0.00 O ATOM 801 CB LYS A 51 55.404 -1.944 1.742 1.00 0.00 C ATOM 802 CG LYS A 51 54.977 -2.928 0.650 1.00 0.00 C ATOM 803 CD LYS A 51 54.705 -2.164 -0.648 1.00 0.00 C ATOM 804 CE LYS A 51 53.329 -2.555 -1.192 1.00 0.00 C ATOM 805 NZ LYS A 51 53.506 -3.931 -1.732 1.00 0.00 N ATOM 0 H LYS A 51 57.372 -1.198 3.885 1.00 0.00 H new ATOM 0 HA LYS A 51 55.891 -3.607 3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 51 54.526 -1.547 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 51 55.926 -1.096 1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 51 55.758 -3.671 0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 51 54.082 -3.467 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 51 54.744 -1.090 -0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 51 55.476 -2.390 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 51 52.573 -2.533 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 51 53.001 -1.865 -1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 52.938 -4.041 -2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 54.509 -4.090 -1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 53.195 -4.625 -1.023 1.00 0.00 H new ATOM 819 N SER A 52 58.124 -4.181 2.214 1.00 0.00 N ATOM 820 CA SER A 52 59.425 -4.557 1.633 1.00 0.00 C ATOM 821 C SER A 52 59.615 -3.898 0.265 1.00 0.00 C ATOM 822 O SER A 52 58.958 -4.241 -0.698 1.00 0.00 O ATOM 823 CB SER A 52 59.326 -6.070 1.509 1.00 0.00 C ATOM 824 OG SER A 52 58.172 -6.539 2.200 1.00 0.00 O ATOM 0 H SER A 52 57.631 -4.939 2.685 1.00 0.00 H new ATOM 0 HA SER A 52 60.277 -4.238 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 52 59.272 -6.355 0.458 1.00 0.00 H new ATOM 0 HB3 SER A 52 60.221 -6.537 1.920 1.00 0.00 H new ATOM 0 HG SER A 52 57.659 -7.134 1.614 1.00 0.00 H new ATOM 830 N LYS A 53 60.513 -2.955 0.174 1.00 0.00 N ATOM 831 CA LYS A 53 60.752 -2.276 -1.129 1.00 0.00 C ATOM 832 C LYS A 53 62.042 -2.803 -1.758 1.00 0.00 C ATOM 833 O LYS A 53 62.491 -2.320 -2.778 1.00 0.00 O ATOM 834 CB LYS A 53 60.886 -0.792 -0.786 1.00 0.00 C ATOM 835 CG LYS A 53 59.827 0.007 -1.549 1.00 0.00 C ATOM 836 CD LYS A 53 60.377 0.406 -2.919 1.00 0.00 C ATOM 837 CE LYS A 53 60.502 1.930 -2.995 1.00 0.00 C ATOM 838 NZ LYS A 53 61.272 2.190 -4.244 1.00 0.00 N ATOM 0 H LYS A 53 61.091 -2.626 0.947 1.00 0.00 H new ATOM 0 HA LYS A 53 59.950 -2.453 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 53 60.765 -0.644 0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.883 -0.436 -1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 53 58.922 -0.589 -1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 53 59.550 0.897 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 53 61.350 -0.058 -3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 53 59.716 0.045 -3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 53 59.522 2.406 -3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 53 61.019 2.328 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 61.799 3.082 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 61.939 1.410 -4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 60.616 2.260 -5.048 1.00 0.00 H new ATOM 852 N GLY A 54 62.638 -3.795 -1.156 1.00 0.00 N ATOM 853 CA GLY A 54 63.896 -4.358 -1.714 1.00 0.00 C ATOM 854 C GLY A 54 65.049 -3.381 -1.482 1.00 0.00 C ATOM 855 O GLY A 54 65.967 -3.300 -2.273 1.00 0.00 O ATOM 0 H GLY A 54 62.306 -4.240 -0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.118 -5.315 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.778 -4.549 -2.781 1.00 0.00 H new ATOM 859 N ILE A 55 65.023 -2.642 -0.405 1.00 0.00 N ATOM 860 CA ILE A 55 66.138 -1.688 -0.146 1.00 0.00 C ATOM 861 C ILE A 55 67.029 -2.238 0.969 1.00 0.00 C ATOM 862 O ILE A 55 66.607 -3.063 1.751 1.00 0.00 O ATOM 863 CB ILE A 55 65.465 -0.382 0.284 1.00 0.00 C ATOM 864 CG1 ILE A 55 64.251 -0.112 -0.608 1.00 0.00 C ATOM 865 CG2 ILE A 55 66.459 0.772 0.145 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.494 1.111 -0.085 1.00 0.00 C ATOM 0 H ILE A 55 64.286 -2.657 0.300 1.00 0.00 H new ATOM 0 HA ILE A 55 66.771 -1.535 -1.020 1.00 0.00 H new ATOM 0 HB ILE A 55 65.143 -0.467 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.572 0.058 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.594 -0.982 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.981 1.703 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 55 67.326 0.584 0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.780 0.853 -0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.630 1.303 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 55 63.160 0.923 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.153 1.979 -0.097 1.00 0.00 H new ATOM 878 N ALA A 56 68.260 -1.806 1.050 1.00 0.00 N ATOM 879 CA ALA A 56 69.149 -2.336 2.125 1.00 0.00 C ATOM 880 C ALA A 56 70.293 -1.360 2.410 1.00 0.00 C ATOM 881 O ALA A 56 70.810 -0.715 1.520 1.00 0.00 O ATOM 882 CB ALA A 56 69.696 -3.649 1.568 1.00 0.00 C ATOM 0 H ALA A 56 68.684 -1.118 0.427 1.00 0.00 H new ATOM 0 HA ALA A 56 68.616 -2.475 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 56 70.362 -4.105 2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.869 -4.327 1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 56 70.248 -3.452 0.649 1.00 0.00 H new ATOM 888 N TYR A 57 70.703 -1.260 3.646 1.00 0.00 N ATOM 889 CA TYR A 57 71.825 -0.340 3.987 1.00 0.00 C ATOM 890 C TYR A 57 73.126 -1.140 4.059 1.00 0.00 C ATOM 891 O TYR A 57 73.447 -1.740 5.065 1.00 0.00 O ATOM 892 CB TYR A 57 71.467 0.244 5.354 1.00 0.00 C ATOM 893 CG TYR A 57 70.880 1.623 5.169 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.636 2.628 4.555 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.580 1.896 5.611 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.092 3.906 4.382 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.036 3.174 5.438 1.00 0.00 C ATOM 898 CZ TYR A 57 69.793 4.179 4.824 1.00 0.00 C ATOM 899 OH TYR A 57 69.256 5.440 4.653 1.00 0.00 O ATOM 0 H TYR A 57 70.309 -1.775 4.433 1.00 0.00 H new ATOM 0 HA TYR A 57 71.966 0.448 3.247 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.752 -0.403 5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.355 0.296 5.984 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.639 2.417 4.215 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.997 1.121 6.085 1.00 0.00 H new ATOM 0 HE1 TYR A 57 71.675 4.681 3.907 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.033 3.385 5.778 1.00 0.00 H new ATOM 0 HH TYR A 57 68.345 5.460 5.014 1.00 0.00 H new ATOM 909 N ILE A 58 73.864 -1.166 2.988 1.00 0.00 N ATOM 910 CA ILE A 58 75.136 -1.942 2.969 1.00 0.00 C ATOM 911 C ILE A 58 76.313 -1.041 3.358 1.00 0.00 C ATOM 912 O ILE A 58 76.516 0.007 2.783 1.00 0.00 O ATOM 913 CB ILE A 58 75.259 -2.417 1.519 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.908 -2.971 1.052 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.317 -3.514 1.419 1.00 0.00 C ATOM 916 CD1 ILE A 58 74.089 -3.741 -0.257 1.00 0.00 C ATOM 0 H ILE A 58 73.641 -0.681 2.119 1.00 0.00 H new ATOM 0 HA ILE A 58 75.141 -2.771 3.676 1.00 0.00 H new ATOM 0 HB ILE A 58 75.553 -1.577 0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.490 -3.627 1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 58 73.199 -2.155 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.399 -3.847 0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.279 -3.123 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 58 76.029 -4.355 2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 58 73.126 -4.133 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 58 74.488 -3.073 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.782 -4.567 -0.100 1.00 0.00 H new ATOM 928 N GLU A 59 77.089 -1.434 4.335 1.00 0.00 N ATOM 929 CA GLU A 59 78.240 -0.586 4.752 1.00 0.00 C ATOM 930 C GLU A 59 79.553 -1.348 4.574 1.00 0.00 C ATOM 931 O GLU A 59 79.756 -2.398 5.150 1.00 0.00 O ATOM 932 CB GLU A 59 77.996 -0.255 6.231 1.00 0.00 C ATOM 933 CG GLU A 59 77.330 -1.439 6.942 1.00 0.00 C ATOM 934 CD GLU A 59 75.823 -1.411 6.681 1.00 0.00 C ATOM 935 OE1 GLU A 59 75.234 -0.355 6.838 1.00 0.00 O ATOM 936 OE2 GLU A 59 75.284 -2.447 6.328 1.00 0.00 O ATOM 0 H GLU A 59 76.975 -2.302 4.859 1.00 0.00 H new ATOM 0 HA GLU A 59 78.317 0.319 4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.942 -0.016 6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 59 77.363 0.629 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 59 77.754 -2.377 6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.525 -1.390 8.013 1.00 0.00 H new ATOM 943 N PHE A 60 80.446 -0.824 3.778 1.00 0.00 N ATOM 944 CA PHE A 60 81.744 -1.523 3.567 1.00 0.00 C ATOM 945 C PHE A 60 82.817 -0.945 4.479 1.00 0.00 C ATOM 946 O PHE A 60 82.579 -0.033 5.246 1.00 0.00 O ATOM 947 CB PHE A 60 82.121 -1.280 2.110 1.00 0.00 C ATOM 948 CG PHE A 60 81.448 -2.306 1.231 1.00 0.00 C ATOM 949 CD1 PHE A 60 80.053 -2.343 1.139 1.00 0.00 C ATOM 950 CD2 PHE A 60 82.222 -3.224 0.510 1.00 0.00 C ATOM 951 CE1 PHE A 60 79.431 -3.297 0.324 1.00 0.00 C ATOM 952 CE2 PHE A 60 81.601 -4.177 -0.304 1.00 0.00 C ATOM 953 CZ PHE A 60 80.205 -4.214 -0.398 1.00 0.00 C ATOM 0 H PHE A 60 80.333 0.052 3.268 1.00 0.00 H new ATOM 0 HA PHE A 60 81.659 -2.586 3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.820 -0.276 1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 60 83.203 -1.338 1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.456 -1.636 1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 60 83.299 -3.196 0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 60 78.354 -3.326 0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 60 82.199 -4.884 -0.860 1.00 0.00 H new ATOM 0 HZ PHE A 60 79.725 -4.949 -1.027 1.00 0.00 H new ATOM 963 N LYS A 61 84.002 -1.466 4.385 1.00 0.00 N ATOM 964 CA LYS A 61 85.114 -0.954 5.235 1.00 0.00 C ATOM 965 C LYS A 61 85.424 0.495 4.857 1.00 0.00 C ATOM 966 O LYS A 61 86.085 1.211 5.582 1.00 0.00 O ATOM 967 CB LYS A 61 86.306 -1.858 4.921 1.00 0.00 C ATOM 968 CG LYS A 61 87.506 -1.435 5.769 1.00 0.00 C ATOM 969 CD LYS A 61 88.146 -2.672 6.402 1.00 0.00 C ATOM 970 CE LYS A 61 89.661 -2.634 6.181 1.00 0.00 C ATOM 971 NZ LYS A 61 90.138 -1.483 6.998 1.00 0.00 N ATOM 0 H LYS A 61 84.254 -2.228 3.755 1.00 0.00 H new ATOM 0 HA LYS A 61 84.869 -0.967 6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 61 86.051 -2.898 5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.555 -1.794 3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 61 88.235 -0.912 5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 61 87.189 -0.739 6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 61 87.924 -2.704 7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 61 87.726 -3.577 5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 61 90.130 -3.565 6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 61 89.903 -2.498 5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 91.171 -1.539 7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 89.888 -0.593 6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 89.688 -1.513 7.935 1.00 0.00 H new ATOM 985 N SER A 62 84.944 0.929 3.724 1.00 0.00 N ATOM 986 CA SER A 62 85.200 2.330 3.288 1.00 0.00 C ATOM 987 C SER A 62 84.504 2.597 1.951 1.00 0.00 C ATOM 988 O SER A 62 84.296 1.698 1.158 1.00 0.00 O ATOM 989 CB SER A 62 86.718 2.437 3.131 1.00 0.00 C ATOM 990 OG SER A 62 87.298 1.141 3.220 1.00 0.00 O ATOM 0 H SER A 62 84.384 0.371 3.080 1.00 0.00 H new ATOM 0 HA SER A 62 84.817 3.058 4.003 1.00 0.00 H new ATOM 0 HB2 SER A 62 86.964 2.892 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.129 3.085 3.905 1.00 0.00 H new ATOM 0 HG SER A 62 86.994 0.594 2.466 1.00 0.00 H new ATOM 996 N GLU A 63 84.143 3.823 1.696 1.00 0.00 N ATOM 997 CA GLU A 63 83.461 4.140 0.410 1.00 0.00 C ATOM 998 C GLU A 63 84.197 3.467 -0.752 1.00 0.00 C ATOM 999 O GLU A 63 83.609 3.144 -1.765 1.00 0.00 O ATOM 1000 CB GLU A 63 83.535 5.663 0.284 1.00 0.00 C ATOM 1001 CG GLU A 63 83.240 6.072 -1.161 1.00 0.00 C ATOM 1002 CD GLU A 63 81.776 5.773 -1.491 1.00 0.00 C ATOM 1003 OE1 GLU A 63 81.176 4.989 -0.775 1.00 0.00 O ATOM 1004 OE2 GLU A 63 81.281 6.331 -2.456 1.00 0.00 O ATOM 0 H GLU A 63 84.290 4.617 2.319 1.00 0.00 H new ATOM 0 HA GLU A 63 82.432 3.782 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 63 82.817 6.129 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.524 6.015 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.444 7.134 -1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 63 83.895 5.531 -1.844 1.00 0.00 H new ATOM 1011 N ALA A 64 85.476 3.248 -0.611 1.00 0.00 N ATOM 1012 CA ALA A 64 86.240 2.594 -1.706 1.00 0.00 C ATOM 1013 C ALA A 64 85.788 1.144 -1.845 1.00 0.00 C ATOM 1014 O ALA A 64 85.460 0.684 -2.920 1.00 0.00 O ATOM 1015 CB ALA A 64 87.705 2.669 -1.275 1.00 0.00 C ATOM 0 H ALA A 64 86.022 3.494 0.214 1.00 0.00 H new ATOM 0 HA ALA A 64 86.086 3.075 -2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.332 2.205 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 64 87.995 3.712 -1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 64 87.833 2.143 -0.329 1.00 0.00 H new ATOM 1021 N ASP A 65 85.749 0.423 -0.759 1.00 0.00 N ATOM 1022 CA ASP A 65 85.293 -0.991 -0.833 1.00 0.00 C ATOM 1023 C ASP A 65 83.835 -1.009 -1.285 1.00 0.00 C ATOM 1024 O ASP A 65 83.451 -1.748 -2.171 1.00 0.00 O ATOM 1025 CB ASP A 65 85.428 -1.530 0.593 1.00 0.00 C ATOM 1026 CG ASP A 65 86.899 -1.499 1.012 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.384 -0.423 1.324 1.00 0.00 O ATOM 1028 OD2 ASP A 65 87.517 -2.551 1.017 1.00 0.00 O ATOM 0 H ASP A 65 86.012 0.750 0.171 1.00 0.00 H new ATOM 0 HA ASP A 65 85.868 -1.593 -1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.831 -0.929 1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 65 85.045 -2.549 0.646 1.00 0.00 H new ATOM 1033 N ALA A 66 83.024 -0.176 -0.690 1.00 0.00 N ATOM 1034 CA ALA A 66 81.592 -0.113 -1.088 1.00 0.00 C ATOM 1035 C ALA A 66 81.485 0.291 -2.560 1.00 0.00 C ATOM 1036 O ALA A 66 80.735 -0.286 -3.321 1.00 0.00 O ATOM 1037 CB ALA A 66 80.987 0.967 -0.191 1.00 0.00 C ATOM 0 H ALA A 66 83.294 0.464 0.056 1.00 0.00 H new ATOM 0 HA ALA A 66 81.080 -1.069 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.927 1.079 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.104 0.680 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.498 1.914 -0.366 1.00 0.00 H new ATOM 1043 N GLU A 67 82.238 1.280 -2.966 1.00 0.00 N ATOM 1044 CA GLU A 67 82.186 1.720 -4.389 1.00 0.00 C ATOM 1045 C GLU A 67 82.719 0.612 -5.301 1.00 0.00 C ATOM 1046 O GLU A 67 82.168 0.337 -6.352 1.00 0.00 O ATOM 1047 CB GLU A 67 83.089 2.953 -4.456 1.00 0.00 C ATOM 1048 CG GLU A 67 83.248 3.392 -5.913 1.00 0.00 C ATOM 1049 CD GLU A 67 83.389 4.913 -5.976 1.00 0.00 C ATOM 1050 OE1 GLU A 67 82.370 5.584 -5.983 1.00 0.00 O ATOM 1051 OE2 GLU A 67 84.514 5.383 -6.015 1.00 0.00 O ATOM 0 H GLU A 67 82.885 1.800 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 67 81.171 1.942 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 67 82.660 3.763 -3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.064 2.726 -4.025 1.00 0.00 H new ATOM 0 HG2 GLU A 67 84.124 2.917 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.385 3.072 -6.496 1.00 0.00 H new ATOM 1058 N LYS A 68 83.781 -0.036 -4.900 1.00 0.00 N ATOM 1059 CA LYS A 68 84.341 -1.132 -5.736 1.00 0.00 C ATOM 1060 C LYS A 68 83.280 -2.213 -5.913 1.00 0.00 C ATOM 1061 O LYS A 68 83.036 -2.689 -7.003 1.00 0.00 O ATOM 1062 CB LYS A 68 85.534 -1.670 -4.944 1.00 0.00 C ATOM 1063 CG LYS A 68 86.305 -2.677 -5.800 1.00 0.00 C ATOM 1064 CD LYS A 68 85.706 -4.072 -5.610 1.00 0.00 C ATOM 1065 CE LYS A 68 86.622 -4.903 -4.708 1.00 0.00 C ATOM 1066 NZ LYS A 68 87.028 -6.069 -5.543 1.00 0.00 N ATOM 0 H LYS A 68 84.282 0.148 -4.031 1.00 0.00 H new ATOM 0 HA LYS A 68 84.642 -0.798 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.189 -0.849 -4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.189 -2.146 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.258 -2.389 -6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 68 87.358 -2.680 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 68 84.713 -3.996 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 68 85.587 -4.563 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 68 87.489 -4.326 -4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 68 86.102 -5.225 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 87.545 -6.754 -4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 86.181 -6.524 -5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 87.642 -5.745 -6.317 1.00 0.00 H new ATOM 1080 N ASN A 69 82.633 -2.585 -4.846 1.00 0.00 N ATOM 1081 CA ASN A 69 81.568 -3.618 -4.947 1.00 0.00 C ATOM 1082 C ASN A 69 80.356 -3.019 -5.661 1.00 0.00 C ATOM 1083 O ASN A 69 79.648 -3.690 -6.389 1.00 0.00 O ATOM 1084 CB ASN A 69 81.227 -3.975 -3.502 1.00 0.00 C ATOM 1085 CG ASN A 69 81.882 -5.308 -3.137 1.00 0.00 C ATOM 1086 OD1 ASN A 69 81.203 -6.279 -2.871 1.00 0.00 O ATOM 1087 ND2 ASN A 69 83.184 -5.393 -3.113 1.00 0.00 N ATOM 0 H ASN A 69 82.796 -2.218 -3.908 1.00 0.00 H new ATOM 0 HA ASN A 69 81.877 -4.498 -5.512 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.576 -3.190 -2.830 1.00 0.00 H new ATOM 0 HB3 ASN A 69 80.146 -4.043 -3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.633 -6.276 -2.871 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.753 -4.576 -3.337 1.00 0.00 H new ATOM 1094 N LEU A 70 80.123 -1.748 -5.463 1.00 0.00 N ATOM 1095 CA LEU A 70 78.970 -1.079 -6.128 1.00 0.00 C ATOM 1096 C LEU A 70 79.087 -1.222 -7.643 1.00 0.00 C ATOM 1097 O LEU A 70 78.186 -1.693 -8.307 1.00 0.00 O ATOM 1098 CB LEU A 70 79.083 0.390 -5.717 1.00 0.00 C ATOM 1099 CG LEU A 70 77.841 0.811 -4.926 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.661 0.981 -5.884 1.00 0.00 C ATOM 1101 CD2 LEU A 70 77.506 -0.262 -3.887 1.00 0.00 C ATOM 0 H LEU A 70 80.686 -1.143 -4.866 1.00 0.00 H new ATOM 0 HA LEU A 70 78.012 -1.512 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 70 79.977 0.539 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.190 1.017 -6.603 1.00 0.00 H new ATOM 0 HG LEU A 70 78.037 1.756 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.776 1.281 -5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.899 1.747 -6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 70 76.466 0.036 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 70 76.622 0.039 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 70 77.310 -1.208 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.347 -0.382 -3.204 1.00 0.00 H new ATOM 1113 N GLU A 71 80.194 -0.816 -8.192 1.00 0.00 N ATOM 1114 CA GLU A 71 80.377 -0.927 -9.667 1.00 0.00 C ATOM 1115 C GLU A 71 80.761 -2.362 -10.044 1.00 0.00 C ATOM 1116 O GLU A 71 80.523 -2.810 -11.147 1.00 0.00 O ATOM 1117 CB GLU A 71 81.517 0.037 -10.000 1.00 0.00 C ATOM 1118 CG GLU A 71 80.962 1.237 -10.770 1.00 0.00 C ATOM 1119 CD GLU A 71 81.858 1.528 -11.976 1.00 0.00 C ATOM 1120 OE1 GLU A 71 83.023 1.823 -11.767 1.00 0.00 O ATOM 1121 OE2 GLU A 71 81.362 1.452 -13.088 1.00 0.00 O ATOM 0 H GLU A 71 80.982 -0.412 -7.685 1.00 0.00 H new ATOM 0 HA GLU A 71 79.467 -0.685 -10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.003 0.372 -9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.275 -0.472 -10.595 1.00 0.00 H new ATOM 0 HG2 GLU A 71 79.944 1.031 -11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 71 80.915 2.110 -10.119 1.00 0.00 H new ATOM 1128 N GLU A 72 81.364 -3.079 -9.134 1.00 0.00 N ATOM 1129 CA GLU A 72 81.773 -4.475 -9.434 1.00 0.00 C ATOM 1130 C GLU A 72 80.549 -5.381 -9.603 1.00 0.00 C ATOM 1131 O GLU A 72 80.551 -6.290 -10.409 1.00 0.00 O ATOM 1132 CB GLU A 72 82.598 -4.913 -8.224 1.00 0.00 C ATOM 1133 CG GLU A 72 82.916 -6.405 -8.335 1.00 0.00 C ATOM 1134 CD GLU A 72 84.422 -6.620 -8.170 1.00 0.00 C ATOM 1135 OE1 GLU A 72 84.860 -6.759 -7.040 1.00 0.00 O ATOM 1136 OE2 GLU A 72 85.111 -6.642 -9.177 1.00 0.00 O ATOM 0 H GLU A 72 81.590 -2.754 -8.194 1.00 0.00 H new ATOM 0 HA GLU A 72 82.336 -4.540 -10.365 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.522 -4.337 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.047 -4.715 -7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 72 82.373 -6.961 -7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 72 82.587 -6.787 -9.302 1.00 0.00 H new ATOM 1143 N LYS A 73 79.508 -5.152 -8.848 1.00 0.00 N ATOM 1144 CA LYS A 73 78.300 -6.018 -8.976 1.00 0.00 C ATOM 1145 C LYS A 73 77.133 -5.228 -9.563 1.00 0.00 C ATOM 1146 O LYS A 73 76.643 -5.528 -10.633 1.00 0.00 O ATOM 1147 CB LYS A 73 77.981 -6.464 -7.549 1.00 0.00 C ATOM 1148 CG LYS A 73 78.818 -7.696 -7.200 1.00 0.00 C ATOM 1149 CD LYS A 73 78.506 -8.822 -8.187 1.00 0.00 C ATOM 1150 CE LYS A 73 78.976 -10.156 -7.606 1.00 0.00 C ATOM 1151 NZ LYS A 73 77.833 -10.642 -6.785 1.00 0.00 N ATOM 0 H LYS A 73 79.441 -4.408 -8.153 1.00 0.00 H new ATOM 0 HA LYS A 73 78.471 -6.864 -9.642 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.193 -5.657 -6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 73 76.920 -6.695 -7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 73 79.879 -7.450 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 73 78.601 -8.020 -6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 73 77.435 -8.858 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 73 79.002 -8.633 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 73 79.224 -10.865 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.872 -10.028 -6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 78.095 -10.621 -5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 77.008 -10.029 -6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 77.597 -11.617 -7.061 1.00 0.00 H new ATOM 1165 N GLN A 74 76.685 -4.222 -8.865 1.00 0.00 N ATOM 1166 CA GLN A 74 75.541 -3.406 -9.374 1.00 0.00 C ATOM 1167 C GLN A 74 74.480 -4.318 -10.000 1.00 0.00 C ATOM 1168 O GLN A 74 74.550 -4.654 -11.166 1.00 0.00 O ATOM 1169 CB GLN A 74 76.150 -2.486 -10.432 1.00 0.00 C ATOM 1170 CG GLN A 74 75.152 -1.379 -10.781 1.00 0.00 C ATOM 1171 CD GLN A 74 74.749 -0.634 -9.507 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.897 -1.085 -8.768 1.00 0.00 O ATOM 1173 NE2 GLN A 74 75.331 0.497 -9.217 1.00 0.00 N ATOM 0 H GLN A 74 77.060 -3.927 -7.963 1.00 0.00 H new ATOM 0 HA GLN A 74 75.049 -2.843 -8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 74 77.077 -2.050 -10.060 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.402 -3.058 -11.325 1.00 0.00 H new ATOM 0 HG2 GLN A 74 75.597 -0.686 -11.495 1.00 0.00 H new ATOM 0 HG3 GLN A 74 74.271 -1.807 -11.259 1.00 0.00 H new ATOM 0 HE21 GLN A 74 76.047 0.876 -9.837 1.00 0.00 H new ATOM 0 HE22 GLN A 74 75.071 1.002 -8.370 1.00 0.00 H new ATOM 1182 N GLY A 75 73.500 -4.724 -9.238 1.00 0.00 N ATOM 1183 CA GLY A 75 72.448 -5.617 -9.799 1.00 0.00 C ATOM 1184 C GLY A 75 72.741 -7.062 -9.393 1.00 0.00 C ATOM 1185 O GLY A 75 71.966 -7.688 -8.703 1.00 0.00 O ATOM 0 H GLY A 75 73.383 -4.477 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.466 -5.316 -9.433 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.423 -5.530 -10.885 1.00 0.00 H new ATOM 1189 N ALA A 76 73.861 -7.589 -9.811 1.00 0.00 N ATOM 1190 CA ALA A 76 74.218 -8.994 -9.448 1.00 0.00 C ATOM 1191 C ALA A 76 72.986 -9.905 -9.528 1.00 0.00 C ATOM 1192 O ALA A 76 72.183 -9.967 -8.617 1.00 0.00 O ATOM 1193 CB ALA A 76 74.738 -8.913 -8.013 1.00 0.00 C ATOM 0 H ALA A 76 74.547 -7.106 -10.391 1.00 0.00 H new ATOM 0 HA ALA A 76 74.959 -9.416 -10.128 1.00 0.00 H new ATOM 0 HB1 ALA A 76 75.022 -9.909 -7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.607 -8.256 -7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.957 -8.517 -7.365 1.00 0.00 H new ATOM 1199 N GLU A 77 72.835 -10.620 -10.610 1.00 0.00 N ATOM 1200 CA GLU A 77 71.660 -11.529 -10.750 1.00 0.00 C ATOM 1201 C GLU A 77 71.460 -12.354 -9.474 1.00 0.00 C ATOM 1202 O GLU A 77 72.025 -13.419 -9.317 1.00 0.00 O ATOM 1203 CB GLU A 77 72.006 -12.440 -11.928 1.00 0.00 C ATOM 1204 CG GLU A 77 71.015 -12.200 -13.069 1.00 0.00 C ATOM 1205 CD GLU A 77 71.553 -11.106 -13.992 1.00 0.00 C ATOM 1206 OE1 GLU A 77 72.711 -11.189 -14.364 1.00 0.00 O ATOM 1207 OE2 GLU A 77 70.797 -10.203 -14.311 1.00 0.00 O ATOM 0 H GLU A 77 73.475 -10.614 -11.404 1.00 0.00 H new ATOM 0 HA GLU A 77 70.734 -10.978 -10.913 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.023 -12.242 -12.268 1.00 0.00 H new ATOM 0 HB3 GLU A 77 71.972 -13.484 -11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 77 70.861 -13.121 -13.631 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.045 -11.907 -12.667 1.00 0.00 H new ATOM 1214 N ILE A 78 70.646 -11.879 -8.570 1.00 0.00 N ATOM 1215 CA ILE A 78 70.386 -12.635 -7.308 1.00 0.00 C ATOM 1216 C ILE A 78 68.902 -12.533 -6.986 1.00 0.00 C ATOM 1217 O ILE A 78 68.168 -11.855 -7.672 1.00 0.00 O ATOM 1218 CB ILE A 78 71.195 -11.943 -6.206 1.00 0.00 C ATOM 1219 CG1 ILE A 78 72.662 -11.799 -6.620 1.00 0.00 C ATOM 1220 CG2 ILE A 78 71.124 -12.777 -4.926 1.00 0.00 C ATOM 1221 CD1 ILE A 78 73.232 -10.521 -6.006 1.00 0.00 C ATOM 0 H ILE A 78 70.146 -10.994 -8.651 1.00 0.00 H new ATOM 0 HA ILE A 78 70.666 -13.685 -7.396 1.00 0.00 H new ATOM 0 HB ILE A 78 70.774 -10.952 -6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 78 73.234 -12.664 -6.285 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.744 -11.763 -7.706 1.00 0.00 H new ATOM 0 HG21 ILE A 78 71.699 -12.287 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 78 70.085 -12.871 -4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 78 71.538 -13.768 -5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 78 74.277 -10.412 -6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.665 -9.661 -6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 78 73.162 -10.577 -4.920 1.00 0.00 H new ATOM 1233 N ASP A 79 68.452 -13.184 -5.954 1.00 0.00 N ATOM 1234 CA ASP A 79 67.009 -13.100 -5.605 1.00 0.00 C ATOM 1235 C ASP A 79 66.162 -13.206 -6.880 1.00 0.00 C ATOM 1236 O ASP A 79 65.061 -12.697 -6.955 1.00 0.00 O ATOM 1237 CB ASP A 79 66.845 -11.727 -4.934 1.00 0.00 C ATOM 1238 CG ASP A 79 66.681 -10.633 -5.992 1.00 0.00 C ATOM 1239 OD1 ASP A 79 65.565 -10.438 -6.447 1.00 0.00 O ATOM 1240 OD2 ASP A 79 67.673 -10.009 -6.330 1.00 0.00 O ATOM 0 H ASP A 79 69.018 -13.769 -5.339 1.00 0.00 H new ATOM 0 HA ASP A 79 66.682 -13.904 -4.946 1.00 0.00 H new ATOM 0 HB2 ASP A 79 65.976 -11.738 -4.276 1.00 0.00 H new ATOM 0 HB3 ASP A 79 67.714 -11.513 -4.312 1.00 0.00 H new ATOM 1245 N GLY A 80 66.679 -13.864 -7.884 1.00 0.00 N ATOM 1246 CA GLY A 80 65.926 -14.011 -9.156 1.00 0.00 C ATOM 1247 C GLY A 80 65.757 -12.641 -9.820 1.00 0.00 C ATOM 1248 O GLY A 80 64.960 -12.476 -10.720 1.00 0.00 O ATOM 0 H GLY A 80 67.597 -14.308 -7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.456 -14.688 -9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.949 -14.454 -8.962 1.00 0.00 H new ATOM 1252 N ARG A 81 66.505 -11.659 -9.387 1.00 0.00 N ATOM 1253 CA ARG A 81 66.389 -10.301 -9.994 1.00 0.00 C ATOM 1254 C ARG A 81 67.704 -9.540 -9.820 1.00 0.00 C ATOM 1255 O ARG A 81 68.636 -10.024 -9.209 1.00 0.00 O ATOM 1256 CB ARG A 81 65.272 -9.602 -9.214 1.00 0.00 C ATOM 1257 CG ARG A 81 64.074 -10.541 -9.065 1.00 0.00 C ATOM 1258 CD ARG A 81 62.904 -9.781 -8.436 1.00 0.00 C ATOM 1259 NE ARG A 81 62.481 -10.618 -7.280 1.00 0.00 N ATOM 1260 CZ ARG A 81 61.469 -11.433 -7.398 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.596 -12.533 -8.089 1.00 0.00 N ATOM 1262 NH2 ARG A 81 60.331 -11.148 -6.828 1.00 0.00 N ATOM 0 H ARG A 81 67.192 -11.740 -8.638 1.00 0.00 H new ATOM 0 HA ARG A 81 66.173 -10.347 -11.061 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.635 -9.303 -8.231 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.969 -8.692 -9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 81 63.784 -10.935 -10.039 1.00 0.00 H new ATOM 0 HG3 ARG A 81 64.343 -11.395 -8.443 1.00 0.00 H new ATOM 0 HD2 ARG A 81 63.208 -8.785 -8.113 1.00 0.00 H new ATOM 0 HD3 ARG A 81 62.089 -9.650 -9.148 1.00 0.00 H new ATOM 0 HE ARG A 81 62.983 -10.554 -6.394 1.00 0.00 H new ATOM 0 HH11 ARG A 81 62.486 -12.755 -8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 81 60.806 -13.171 -8.182 1.00 0.00 H new ATOM 0 HH21 ARG A 81 60.232 -10.287 -6.290 1.00 0.00 H new ATOM 0 HH22 ARG A 81 59.540 -11.786 -6.921 1.00 0.00 H new ATOM 1276 N SER A 82 67.785 -8.350 -10.346 1.00 0.00 N ATOM 1277 CA SER A 82 69.036 -7.559 -10.201 1.00 0.00 C ATOM 1278 C SER A 82 68.919 -6.607 -9.010 1.00 0.00 C ATOM 1279 O SER A 82 67.981 -5.840 -8.906 1.00 0.00 O ATOM 1280 CB SER A 82 69.161 -6.771 -11.503 1.00 0.00 C ATOM 1281 OG SER A 82 68.225 -7.267 -12.452 1.00 0.00 O ATOM 0 H SER A 82 67.039 -7.892 -10.870 1.00 0.00 H new ATOM 0 HA SER A 82 69.906 -8.191 -10.023 1.00 0.00 H new ATOM 0 HB2 SER A 82 68.980 -5.712 -11.318 1.00 0.00 H new ATOM 0 HB3 SER A 82 70.174 -6.857 -11.897 1.00 0.00 H new ATOM 0 HG SER A 82 68.305 -6.759 -13.286 1.00 0.00 H new ATOM 1287 N VAL A 83 69.864 -6.644 -8.114 1.00 0.00 N ATOM 1288 CA VAL A 83 69.808 -5.735 -6.933 1.00 0.00 C ATOM 1289 C VAL A 83 70.603 -4.460 -7.221 1.00 0.00 C ATOM 1290 O VAL A 83 71.783 -4.501 -7.506 1.00 0.00 O ATOM 1291 CB VAL A 83 70.429 -6.530 -5.781 1.00 0.00 C ATOM 1292 CG1 VAL A 83 71.782 -7.099 -6.210 1.00 0.00 C ATOM 1293 CG2 VAL A 83 70.621 -5.611 -4.574 1.00 0.00 C ATOM 0 H VAL A 83 70.673 -7.264 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 83 68.792 -5.423 -6.692 1.00 0.00 H new ATOM 0 HB VAL A 83 69.765 -7.352 -5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 83 72.217 -7.663 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.644 -7.758 -7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 83 72.450 -6.282 -6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 83 71.063 -6.176 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 83 71.282 -4.788 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.655 -5.213 -4.262 1.00 0.00 H new ATOM 1303 N SER A 84 69.960 -3.327 -7.161 1.00 0.00 N ATOM 1304 CA SER A 84 70.671 -2.049 -7.445 1.00 0.00 C ATOM 1305 C SER A 84 71.345 -1.516 -6.180 1.00 0.00 C ATOM 1306 O SER A 84 70.890 -1.742 -5.077 1.00 0.00 O ATOM 1307 CB SER A 84 69.580 -1.087 -7.916 1.00 0.00 C ATOM 1308 OG SER A 84 68.496 -1.833 -8.450 1.00 0.00 O ATOM 0 H SER A 84 68.972 -3.231 -6.927 1.00 0.00 H new ATOM 0 HA SER A 84 71.457 -2.175 -8.189 1.00 0.00 H new ATOM 0 HB2 SER A 84 69.238 -0.471 -7.084 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.978 -0.410 -8.672 1.00 0.00 H new ATOM 0 HG SER A 84 67.954 -1.255 -9.027 1.00 0.00 H new ATOM 1314 N LEU A 85 72.426 -0.807 -6.337 1.00 0.00 N ATOM 1315 CA LEU A 85 73.135 -0.251 -5.151 1.00 0.00 C ATOM 1316 C LEU A 85 73.272 1.266 -5.290 1.00 0.00 C ATOM 1317 O LEU A 85 73.945 1.758 -6.174 1.00 0.00 O ATOM 1318 CB LEU A 85 74.510 -0.918 -5.166 1.00 0.00 C ATOM 1319 CG LEU A 85 74.346 -2.430 -5.016 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.435 -3.143 -5.819 1.00 0.00 C ATOM 1321 CD2 LEU A 85 74.471 -2.809 -3.538 1.00 0.00 C ATOM 0 H LEU A 85 72.851 -0.587 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 85 72.602 -0.440 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 85 75.027 -0.688 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.125 -0.526 -4.356 1.00 0.00 H new ATOM 0 HG LEU A 85 73.366 -2.730 -5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.319 -4.221 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.348 -2.871 -6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.415 -2.845 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 85 74.354 -3.887 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 85 75.452 -2.510 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 85 73.696 -2.300 -2.965 1.00 0.00 H new ATOM 1333 N TYR A 86 72.636 2.012 -4.429 1.00 0.00 N ATOM 1334 CA TYR A 86 72.731 3.491 -4.518 1.00 0.00 C ATOM 1335 C TYR A 86 73.422 4.041 -3.275 1.00 0.00 C ATOM 1336 O TYR A 86 72.798 4.306 -2.268 1.00 0.00 O ATOM 1337 CB TYR A 86 71.289 3.973 -4.575 1.00 0.00 C ATOM 1338 CG TYR A 86 70.540 3.217 -5.643 1.00 0.00 C ATOM 1339 CD1 TYR A 86 71.220 2.738 -6.770 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.165 2.994 -5.510 1.00 0.00 C ATOM 1341 CE1 TYR A 86 70.526 2.037 -7.761 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.470 2.293 -6.501 1.00 0.00 C ATOM 1343 CZ TYR A 86 69.150 1.814 -7.627 1.00 0.00 C ATOM 1344 OH TYR A 86 68.464 1.124 -8.606 1.00 0.00 O ATOM 0 H TYR A 86 72.055 1.659 -3.669 1.00 0.00 H new ATOM 0 HA TYR A 86 73.308 3.820 -5.383 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.808 3.826 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 86 71.261 5.042 -4.786 1.00 0.00 H new ATOM 0 HD1 TYR A 86 72.281 2.910 -6.874 1.00 0.00 H new ATOM 0 HD2 TYR A 86 68.640 3.363 -4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 86 71.051 1.668 -8.630 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.409 2.121 -6.397 1.00 0.00 H new ATOM 0 HH TYR A 86 67.519 1.056 -8.357 1.00 0.00 H new ATOM 1354 N TYR A 87 74.709 4.175 -3.316 1.00 0.00 N ATOM 1355 CA TYR A 87 75.432 4.664 -2.152 1.00 0.00 C ATOM 1356 C TYR A 87 75.620 6.177 -2.157 1.00 0.00 C ATOM 1357 O TYR A 87 75.245 6.878 -3.075 1.00 0.00 O ATOM 1358 CB TYR A 87 76.772 3.963 -2.262 1.00 0.00 C ATOM 1359 CG TYR A 87 77.618 4.524 -3.391 1.00 0.00 C ATOM 1360 CD1 TYR A 87 77.053 5.302 -4.411 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.993 4.250 -3.410 1.00 0.00 C ATOM 1362 CE1 TYR A 87 77.861 5.801 -5.439 1.00 0.00 C ATOM 1363 CE2 TYR A 87 79.799 4.749 -4.436 1.00 0.00 C ATOM 1364 CZ TYR A 87 79.234 5.524 -5.452 1.00 0.00 C ATOM 1365 OH TYR A 87 80.028 6.016 -6.468 1.00 0.00 O ATOM 0 H TYR A 87 75.289 3.959 -4.127 1.00 0.00 H new ATOM 0 HA TYR A 87 74.893 4.459 -1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 87 77.312 4.064 -1.320 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.611 2.897 -2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 87 75.994 5.516 -4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 87 79.432 3.650 -2.627 1.00 0.00 H new ATOM 0 HE1 TYR A 87 77.425 6.401 -6.224 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.858 4.536 -4.444 1.00 0.00 H new ATOM 0 HH TYR A 87 80.900 5.570 -6.446 1.00 0.00 H new ATOM 1375 N THR A 88 76.230 6.667 -1.118 1.00 0.00 N ATOM 1376 CA THR A 88 76.510 8.125 -1.006 1.00 0.00 C ATOM 1377 C THR A 88 75.350 8.956 -1.567 1.00 0.00 C ATOM 1378 O THR A 88 75.409 9.463 -2.669 1.00 0.00 O ATOM 1379 CB THR A 88 77.789 8.330 -1.827 1.00 0.00 C ATOM 1380 OG1 THR A 88 77.452 8.498 -3.198 1.00 0.00 O ATOM 1381 CG2 THR A 88 78.702 7.105 -1.671 1.00 0.00 C ATOM 0 H THR A 88 76.553 6.110 -0.327 1.00 0.00 H new ATOM 0 HA THR A 88 76.627 8.447 0.029 1.00 0.00 H new ATOM 0 HB THR A 88 78.310 9.218 -1.469 1.00 0.00 H new ATOM 0 HG1 THR A 88 76.913 9.310 -3.305 1.00 0.00 H new ATOM 0 HG21 THR A 88 79.611 7.252 -2.255 1.00 0.00 H new ATOM 0 HG22 THR A 88 78.963 6.977 -0.620 1.00 0.00 H new ATOM 0 HG23 THR A 88 78.182 6.216 -2.027 1.00 0.00 H new ATOM 1389 N GLY A 89 74.300 9.108 -0.806 1.00 0.00 N ATOM 1390 CA GLY A 89 73.140 9.916 -1.280 1.00 0.00 C ATOM 1391 C GLY A 89 72.367 9.166 -2.355 1.00 0.00 C ATOM 1392 O GLY A 89 71.425 9.669 -2.933 1.00 0.00 O ATOM 0 H GLY A 89 74.195 8.706 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 89 72.481 10.142 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 89 73.491 10.869 -1.675 1.00 0.00 H new ATOM 1396 N GLU A 90 72.767 7.974 -2.618 1.00 0.00 N ATOM 1397 CA GLU A 90 72.081 7.146 -3.655 1.00 0.00 C ATOM 1398 C GLU A 90 72.392 7.688 -5.058 1.00 0.00 C ATOM 1399 O GLU A 90 71.823 7.255 -6.040 1.00 0.00 O ATOM 1400 CB GLU A 90 70.578 7.239 -3.312 1.00 0.00 C ATOM 1401 CG GLU A 90 69.828 8.128 -4.316 1.00 0.00 C ATOM 1402 CD GLU A 90 68.575 8.702 -3.653 1.00 0.00 C ATOM 1403 OE1 GLU A 90 68.659 9.072 -2.493 1.00 0.00 O ATOM 1404 OE2 GLU A 90 67.552 8.762 -4.315 1.00 0.00 O ATOM 0 H GLU A 90 73.554 7.516 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 90 72.415 6.108 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 90 70.141 6.240 -3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 90 70.457 7.641 -2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 90 70.475 8.936 -4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 90 69.553 7.548 -5.197 1.00 0.00 H new ATOM 1411 N LYS A 91 73.288 8.631 -5.158 1.00 0.00 N ATOM 1412 CA LYS A 91 73.630 9.195 -6.496 1.00 0.00 C ATOM 1413 C LYS A 91 73.950 8.065 -7.478 1.00 0.00 C ATOM 1414 O LYS A 91 73.848 8.224 -8.678 1.00 0.00 O ATOM 1415 CB LYS A 91 74.864 10.065 -6.258 1.00 0.00 C ATOM 1416 CG LYS A 91 75.352 10.635 -7.592 1.00 0.00 C ATOM 1417 CD LYS A 91 75.716 12.109 -7.417 1.00 0.00 C ATOM 1418 CE LYS A 91 75.070 12.933 -8.533 1.00 0.00 C ATOM 1419 NZ LYS A 91 76.201 13.361 -9.401 1.00 0.00 N ATOM 0 H LYS A 91 73.798 9.035 -4.373 1.00 0.00 H new ATOM 0 HA LYS A 91 72.807 9.767 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 91 74.623 10.876 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 91 75.653 9.475 -5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 91 76.219 10.075 -7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 91 74.576 10.529 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 91 75.376 12.465 -6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 91 76.799 12.232 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 91 74.346 12.341 -9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 91 74.535 13.793 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 75.836 13.932 -10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 76.871 13.929 -8.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 76.687 12.522 -9.776 1.00 0.00 H new ATOM 1433 N GLY A 92 74.336 6.923 -6.976 1.00 0.00 N ATOM 1434 CA GLY A 92 74.662 5.784 -7.881 1.00 0.00 C ATOM 1435 C GLY A 92 75.501 6.286 -9.058 1.00 0.00 C ATOM 1436 O GLY A 92 76.095 7.345 -9.002 1.00 0.00 O ATOM 0 H GLY A 92 74.440 6.730 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 92 75.209 5.016 -7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 92 73.744 5.323 -8.246 1.00 0.00 H new ATOM 1440 N GLY A 93 75.554 5.534 -10.123 1.00 0.00 N ATOM 1441 CA GLY A 93 76.356 5.968 -11.302 1.00 0.00 C ATOM 1442 C GLY A 93 75.786 7.276 -11.854 1.00 0.00 C ATOM 1443 O GLY A 93 75.879 8.316 -11.234 1.00 0.00 O ATOM 0 H GLY A 93 75.077 4.638 -10.228 1.00 0.00 H new ATOM 0 HA2 GLY A 93 77.399 6.106 -11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 93 76.337 5.197 -12.072 1.00 0.00 H new ATOM 1447 N THR A 94 75.197 7.233 -13.018 1.00 0.00 N ATOM 1448 CA THR A 94 74.622 8.475 -13.609 1.00 0.00 C ATOM 1449 C THR A 94 73.111 8.527 -13.366 1.00 0.00 C ATOM 1450 O THR A 94 72.345 8.898 -14.232 1.00 0.00 O ATOM 1451 CB THR A 94 74.921 8.377 -15.105 1.00 0.00 C ATOM 1452 OG1 THR A 94 74.603 9.612 -15.732 1.00 0.00 O ATOM 1453 CG2 THR A 94 74.081 7.259 -15.724 1.00 0.00 C ATOM 0 H THR A 94 75.089 6.392 -13.585 1.00 0.00 H new ATOM 0 HA THR A 94 75.046 9.377 -13.167 1.00 0.00 H new ATOM 0 HB THR A 94 75.979 8.156 -15.250 1.00 0.00 H new ATOM 0 HG1 THR A 94 73.689 9.874 -15.493 1.00 0.00 H new ATOM 0 HG21 THR A 94 74.295 7.191 -16.791 1.00 0.00 H new ATOM 0 HG22 THR A 94 74.325 6.312 -15.243 1.00 0.00 H new ATOM 0 HG23 THR A 94 73.023 7.477 -15.580 1.00 0.00 H new ATOM 1461 N ARG A 95 72.677 8.157 -12.192 1.00 0.00 N ATOM 1462 CA ARG A 95 71.217 8.186 -11.894 1.00 0.00 C ATOM 1463 C ARG A 95 70.427 7.591 -13.063 1.00 0.00 C ATOM 1464 O ARG A 95 69.709 8.283 -13.757 1.00 0.00 O ATOM 1465 CB ARG A 95 70.877 9.666 -11.717 1.00 0.00 C ATOM 1466 CG ARG A 95 70.088 9.859 -10.421 1.00 0.00 C ATOM 1467 CD ARG A 95 70.808 10.872 -9.528 1.00 0.00 C ATOM 1468 NE ARG A 95 69.735 11.481 -8.695 1.00 0.00 N ATOM 1469 CZ ARG A 95 69.350 10.892 -7.596 1.00 0.00 C ATOM 1470 NH1 ARG A 95 68.590 9.832 -7.654 1.00 0.00 N ATOM 1471 NH2 ARG A 95 69.725 11.363 -6.437 1.00 0.00 N ATOM 0 H ARG A 95 73.270 7.836 -11.427 1.00 0.00 H new ATOM 0 HA ARG A 95 70.965 7.601 -11.009 1.00 0.00 H new ATOM 0 HB2 ARG A 95 71.791 10.259 -11.690 1.00 0.00 H new ATOM 0 HB3 ARG A 95 70.293 10.020 -12.567 1.00 0.00 H new ATOM 0 HG2 ARG A 95 69.080 10.209 -10.645 1.00 0.00 H new ATOM 0 HG3 ARG A 95 69.987 8.907 -9.900 1.00 0.00 H new ATOM 0 HD2 ARG A 95 71.561 10.386 -8.908 1.00 0.00 H new ATOM 0 HD3 ARG A 95 71.323 11.627 -10.123 1.00 0.00 H new ATOM 0 HE ARG A 95 69.301 12.358 -8.983 1.00 0.00 H new ATOM 0 HH11 ARG A 95 68.297 9.464 -8.559 1.00 0.00 H new ATOM 0 HH12 ARG A 95 68.290 9.372 -6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 95 70.319 12.191 -6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 95 69.424 10.903 -5.578 1.00 0.00 H new ATOM 1485 N GLY A 96 70.555 6.311 -13.287 1.00 0.00 N ATOM 1486 CA GLY A 96 69.811 5.673 -14.410 1.00 0.00 C ATOM 1487 C GLY A 96 68.802 4.669 -13.852 1.00 0.00 C ATOM 1488 O GLY A 96 68.253 3.912 -14.636 1.00 0.00 O ATOM 1489 OXT GLY A 96 68.595 4.673 -12.649 1.00 0.00 O ATOM 0 H GLY A 96 71.142 5.680 -12.741 1.00 0.00 H new ATOM 0 HA2 GLY A 96 69.296 6.434 -14.997 1.00 0.00 H new ATOM 0 HA3 GLY A 96 70.507 5.170 -15.081 1.00 0.00 H new TER 1493 GLY A 96