USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=23 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 Single : A 1 SER N :NH3+ 155:sc= 0.37 (180deg=0.0601) USER MOD Single : A 1 SER OG : rot 180:sc= 0.173 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 10 SER OG : rot -93:sc= 0.162 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -0.0215 (180deg=-0.254) USER MOD Single : A 23 ASN : amide:sc= 0.024! K(o=0.024!,f=-1.3) USER MOD Single : A 25 SER OG : rot -140:sc= -2! USER MOD Single : A 27 ASN : amide:sc= -0.0489 X(o=-0.049,f=0) USER MOD Single : A 29 THR OG1 : rot 12:sc= 0.0946 USER MOD Single : A 34 LYS NZ :NH3+ -122:sc= -0.0502 (180deg=-1.3) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0648 USER MOD Single : A 48 GLN :FLIP amide:sc= -1.81 F(o=-2.3!,f=-1.8) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -110:sc= -0.636 USER MOD Single : A 53 LYS NZ :NH3+ -130:sc=-0.00798 (180deg=-0.111) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.118 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -6.1! C(o=-6.1!,f=-6.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.69! C(o=-2.7!,f=-15!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -129:sc= -4.62! USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.91 USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= -0.0432 (180deg=-0.508) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0692 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 95.469 28.616 17.926 1.00 0.00 N ATOM 2 CA SER A 1 94.512 27.658 18.553 1.00 0.00 C ATOM 3 C SER A 1 93.082 27.969 18.102 1.00 0.00 C ATOM 4 O SER A 1 92.668 29.111 18.062 1.00 0.00 O ATOM 5 CB SER A 1 94.660 27.878 20.057 1.00 0.00 C ATOM 6 OG SER A 1 96.037 28.022 20.378 1.00 0.00 O ATOM 0 H1 SER A 1 96.320 28.694 18.518 1.00 0.00 H new ATOM 0 H2 SER A 1 95.735 28.273 16.981 1.00 0.00 H new ATOM 0 H3 SER A 1 95.020 29.550 17.841 1.00 0.00 H new ATOM 0 HA SER A 1 94.716 26.625 18.271 1.00 0.00 H new ATOM 0 HB2 SER A 1 94.109 28.768 20.362 1.00 0.00 H new ATOM 0 HB3 SER A 1 94.234 27.036 20.603 1.00 0.00 H new ATOM 0 HG SER A 1 96.135 28.165 21.343 1.00 0.00 H new ATOM 14 N HIS A 2 92.325 26.962 17.762 1.00 0.00 N ATOM 15 CA HIS A 2 90.922 27.201 17.315 1.00 0.00 C ATOM 16 C HIS A 2 90.027 26.034 17.741 1.00 0.00 C ATOM 17 O HIS A 2 89.057 26.211 18.449 1.00 0.00 O ATOM 18 CB HIS A 2 91.003 27.287 15.790 1.00 0.00 C ATOM 19 CG HIS A 2 89.723 27.866 15.253 1.00 0.00 C ATOM 20 ND1 HIS A 2 88.812 27.107 14.535 1.00 0.00 N ATOM 21 CD2 HIS A 2 89.188 29.129 15.320 1.00 0.00 C ATOM 22 CE1 HIS A 2 87.787 27.911 14.201 1.00 0.00 C ATOM 23 NE2 HIS A 2 87.965 29.155 14.656 1.00 0.00 N ATOM 0 H HIS A 2 92.616 25.985 17.774 1.00 0.00 H new ATOM 0 HA HIS A 2 90.496 28.104 17.752 1.00 0.00 H new ATOM 0 HB2 HIS A 2 91.848 27.908 15.494 1.00 0.00 H new ATOM 0 HB3 HIS A 2 91.172 26.297 15.367 1.00 0.00 H new ATOM 0 HD2 HIS A 2 89.646 29.974 15.813 1.00 0.00 H new ATOM 0 HE1 HIS A 2 86.925 27.591 13.634 1.00 0.00 H new ATOM 0 HE2 HIS A 2 87.339 29.952 14.541 1.00 0.00 H new ATOM 31 N MET A 3 90.346 24.843 17.313 1.00 0.00 N ATOM 32 CA MET A 3 89.512 23.667 17.693 1.00 0.00 C ATOM 33 C MET A 3 90.334 22.379 17.588 1.00 0.00 C ATOM 34 O MET A 3 91.547 22.399 17.655 1.00 0.00 O ATOM 35 CB MET A 3 88.362 23.654 16.685 1.00 0.00 C ATOM 36 CG MET A 3 87.057 23.309 17.403 1.00 0.00 C ATOM 37 SD MET A 3 85.694 23.314 16.212 1.00 0.00 S ATOM 38 CE MET A 3 84.655 22.092 17.051 1.00 0.00 C ATOM 0 H MET A 3 91.147 24.633 16.717 1.00 0.00 H new ATOM 0 HA MET A 3 89.152 23.730 18.720 1.00 0.00 H new ATOM 0 HB2 MET A 3 88.277 24.627 16.202 1.00 0.00 H new ATOM 0 HB3 MET A 3 88.561 22.925 15.900 1.00 0.00 H new ATOM 0 HG2 MET A 3 87.137 22.330 17.876 1.00 0.00 H new ATOM 0 HG3 MET A 3 86.864 24.031 18.196 1.00 0.00 H new ATOM 0 HE1 MET A 3 83.741 21.937 16.478 1.00 0.00 H new ATOM 0 HE2 MET A 3 85.196 21.149 17.133 1.00 0.00 H new ATOM 0 HE3 MET A 3 84.402 22.453 18.048 1.00 0.00 H new ATOM 48 N LEU A 4 89.683 21.260 17.421 1.00 0.00 N ATOM 49 CA LEU A 4 90.428 19.972 17.312 1.00 0.00 C ATOM 50 C LEU A 4 91.026 19.825 15.909 1.00 0.00 C ATOM 51 O LEU A 4 90.837 18.825 15.247 1.00 0.00 O ATOM 52 CB LEU A 4 89.383 18.887 17.567 1.00 0.00 C ATOM 53 CG LEU A 4 89.713 18.158 18.871 1.00 0.00 C ATOM 54 CD1 LEU A 4 91.172 17.698 18.845 1.00 0.00 C ATOM 55 CD2 LEU A 4 89.499 19.108 20.052 1.00 0.00 C ATOM 0 H LEU A 4 88.668 21.181 17.355 1.00 0.00 H new ATOM 0 HA LEU A 4 91.256 19.912 18.018 1.00 0.00 H new ATOM 0 HB2 LEU A 4 88.389 19.331 17.627 1.00 0.00 H new ATOM 0 HB3 LEU A 4 89.367 18.181 16.737 1.00 0.00 H new ATOM 0 HG LEU A 4 89.062 17.291 18.977 1.00 0.00 H new ATOM 0 HD11 LEU A 4 91.406 17.179 19.774 1.00 0.00 H new ATOM 0 HD12 LEU A 4 91.326 17.023 18.003 1.00 0.00 H new ATOM 0 HD13 LEU A 4 91.825 18.564 18.739 1.00 0.00 H new ATOM 0 HD21 LEU A 4 89.734 18.591 20.982 1.00 0.00 H new ATOM 0 HD22 LEU A 4 90.151 19.975 19.944 1.00 0.00 H new ATOM 0 HD23 LEU A 4 88.460 19.436 20.071 1.00 0.00 H new ATOM 67 N GLU A 5 91.744 20.815 15.454 1.00 0.00 N ATOM 68 CA GLU A 5 92.352 20.734 14.095 1.00 0.00 C ATOM 69 C GLU A 5 91.348 20.143 13.099 1.00 0.00 C ATOM 70 O GLU A 5 90.516 20.845 12.559 1.00 0.00 O ATOM 71 CB GLU A 5 93.564 19.815 14.257 1.00 0.00 C ATOM 72 CG GLU A 5 94.220 19.590 12.893 1.00 0.00 C ATOM 73 CD GLU A 5 94.892 20.884 12.430 1.00 0.00 C ATOM 74 OE1 GLU A 5 95.946 21.203 12.958 1.00 0.00 O ATOM 75 OE2 GLU A 5 94.343 21.534 11.558 1.00 0.00 O ATOM 0 H GLU A 5 91.936 21.677 15.964 1.00 0.00 H new ATOM 0 HA GLU A 5 92.636 21.713 13.709 1.00 0.00 H new ATOM 0 HB2 GLU A 5 94.280 20.259 14.948 1.00 0.00 H new ATOM 0 HB3 GLU A 5 93.256 18.861 14.686 1.00 0.00 H new ATOM 0 HG2 GLU A 5 94.956 18.789 12.959 1.00 0.00 H new ATOM 0 HG3 GLU A 5 93.472 19.276 12.165 1.00 0.00 H new ATOM 82 N ASP A 6 91.415 18.862 12.849 1.00 0.00 N ATOM 83 CA ASP A 6 90.462 18.239 11.888 1.00 0.00 C ATOM 84 C ASP A 6 89.021 18.432 12.368 1.00 0.00 C ATOM 85 O ASP A 6 88.608 17.841 13.346 1.00 0.00 O ATOM 86 CB ASP A 6 90.829 16.755 11.876 1.00 0.00 C ATOM 87 CG ASP A 6 92.335 16.602 11.659 1.00 0.00 C ATOM 88 OD1 ASP A 6 92.795 16.935 10.579 1.00 0.00 O ATOM 89 OD2 ASP A 6 93.004 16.154 12.576 1.00 0.00 O ATOM 0 H ASP A 6 92.089 18.222 13.269 1.00 0.00 H new ATOM 0 HA ASP A 6 90.526 18.684 10.895 1.00 0.00 H new ATOM 0 HB2 ASP A 6 90.538 16.290 12.818 1.00 0.00 H new ATOM 0 HB3 ASP A 6 90.283 16.241 11.085 1.00 0.00 H new ATOM 94 N PRO A 7 88.300 19.257 11.656 1.00 0.00 N ATOM 95 CA PRO A 7 86.888 19.532 12.013 1.00 0.00 C ATOM 96 C PRO A 7 85.996 18.358 11.601 1.00 0.00 C ATOM 97 O PRO A 7 86.469 17.333 11.153 1.00 0.00 O ATOM 98 CB PRO A 7 86.552 20.777 11.197 1.00 0.00 C ATOM 99 CG PRO A 7 87.493 20.751 10.034 1.00 0.00 C ATOM 100 CD PRO A 7 88.729 20.002 10.468 1.00 0.00 C ATOM 0 HA PRO A 7 86.735 19.672 13.083 1.00 0.00 H new ATOM 0 HB2 PRO A 7 85.514 20.761 10.864 1.00 0.00 H new ATOM 0 HB3 PRO A 7 86.683 21.683 11.789 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.030 20.262 9.177 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.748 21.764 9.724 1.00 0.00 H new ATOM 0 HD2 PRO A 7 89.084 19.332 9.685 1.00 0.00 H new ATOM 0 HD3 PRO A 7 89.547 20.684 10.700 1.00 0.00 H new ATOM 108 N CYS A 8 84.707 18.502 11.745 1.00 0.00 N ATOM 109 CA CYS A 8 83.786 17.395 11.357 1.00 0.00 C ATOM 110 C CYS A 8 83.441 17.502 9.869 1.00 0.00 C ATOM 111 O CYS A 8 82.487 16.916 9.397 1.00 0.00 O ATOM 112 CB CYS A 8 82.536 17.600 12.214 1.00 0.00 C ATOM 113 SG CYS A 8 82.721 16.702 13.774 1.00 0.00 S ATOM 0 H CYS A 8 84.252 19.337 12.114 1.00 0.00 H new ATOM 0 HA CYS A 8 84.228 16.411 11.514 1.00 0.00 H new ATOM 0 HB2 CYS A 8 82.386 18.662 12.409 1.00 0.00 H new ATOM 0 HB3 CYS A 8 81.654 17.246 11.680 1.00 0.00 H new ATOM 0 HG CYS A 8 81.660 16.878 14.504 1.00 0.00 H new ATOM 119 N THR A 9 84.213 18.250 9.128 1.00 0.00 N ATOM 120 CA THR A 9 83.939 18.405 7.678 1.00 0.00 C ATOM 121 C THR A 9 83.625 17.046 7.051 1.00 0.00 C ATOM 122 O THR A 9 82.956 16.954 6.041 1.00 0.00 O ATOM 123 CB THR A 9 85.229 18.983 7.092 1.00 0.00 C ATOM 124 OG1 THR A 9 85.318 20.363 7.418 1.00 0.00 O ATOM 125 CG2 THR A 9 85.223 18.817 5.571 1.00 0.00 C ATOM 0 H THR A 9 85.026 18.762 9.471 1.00 0.00 H new ATOM 0 HA THR A 9 83.080 19.048 7.486 1.00 0.00 H new ATOM 0 HB THR A 9 86.086 18.453 7.509 1.00 0.00 H new ATOM 0 HG1 THR A 9 86.145 20.735 7.045 1.00 0.00 H new ATOM 0 HG21 THR A 9 86.143 19.229 5.156 1.00 0.00 H new ATOM 0 HG22 THR A 9 85.155 17.758 5.321 1.00 0.00 H new ATOM 0 HG23 THR A 9 84.367 19.345 5.151 1.00 0.00 H new ATOM 133 N SER A 10 84.106 15.989 7.643 1.00 0.00 N ATOM 134 CA SER A 10 83.840 14.633 7.083 1.00 0.00 C ATOM 135 C SER A 10 82.416 14.180 7.424 1.00 0.00 C ATOM 136 O SER A 10 82.204 13.085 7.906 1.00 0.00 O ATOM 137 CB SER A 10 84.865 13.720 7.753 1.00 0.00 C ATOM 138 OG SER A 10 85.301 14.315 8.967 1.00 0.00 O ATOM 0 H SER A 10 84.672 16.005 8.491 1.00 0.00 H new ATOM 0 HA SER A 10 83.923 14.616 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 10 84.424 12.743 7.951 1.00 0.00 H new ATOM 0 HB3 SER A 10 85.714 13.558 7.089 1.00 0.00 H new ATOM 0 HG SER A 10 86.110 14.842 8.801 1.00 0.00 H new ATOM 144 N LYS A 11 81.439 15.008 7.172 1.00 0.00 N ATOM 145 CA LYS A 11 80.034 14.615 7.476 1.00 0.00 C ATOM 146 C LYS A 11 79.477 13.772 6.328 1.00 0.00 C ATOM 147 O LYS A 11 79.047 12.652 6.521 1.00 0.00 O ATOM 148 CB LYS A 11 79.267 15.931 7.605 1.00 0.00 C ATOM 149 CG LYS A 11 79.087 16.272 9.085 1.00 0.00 C ATOM 150 CD LYS A 11 78.502 17.680 9.217 1.00 0.00 C ATOM 151 CE LYS A 11 76.989 17.588 9.425 1.00 0.00 C ATOM 152 NZ LYS A 11 76.396 18.300 8.260 1.00 0.00 N ATOM 0 H LYS A 11 81.553 15.938 6.769 1.00 0.00 H new ATOM 0 HA LYS A 11 79.954 14.017 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.808 16.731 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.295 15.847 7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 11 78.426 15.546 9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 11 80.045 16.215 9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 11 78.964 18.200 10.056 1.00 0.00 H new ATOM 0 HD3 LYS A 11 78.722 18.262 8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 11 76.658 16.550 9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 11 76.691 18.052 10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 75.359 18.279 8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 76.723 19.287 8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 76.691 17.832 7.380 1.00 0.00 H new ATOM 166 N LYS A 12 79.500 14.292 5.132 1.00 0.00 N ATOM 167 CA LYS A 12 78.989 13.505 3.974 1.00 0.00 C ATOM 168 C LYS A 12 80.062 12.520 3.513 1.00 0.00 C ATOM 169 O LYS A 12 79.905 11.823 2.530 1.00 0.00 O ATOM 170 CB LYS A 12 78.691 14.535 2.885 1.00 0.00 C ATOM 171 CG LYS A 12 79.989 15.230 2.468 1.00 0.00 C ATOM 172 CD LYS A 12 79.929 16.706 2.865 1.00 0.00 C ATOM 173 CE LYS A 12 81.222 17.094 3.584 1.00 0.00 C ATOM 174 NZ LYS A 12 81.830 18.157 2.735 1.00 0.00 N ATOM 0 H LYS A 12 79.849 15.224 4.907 1.00 0.00 H new ATOM 0 HA LYS A 12 78.101 12.923 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 12 78.235 14.047 2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 12 77.974 15.270 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 12 80.842 14.748 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 12 80.134 15.138 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 12 79.793 17.327 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 12 79.072 16.884 3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 12 81.020 17.460 4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 12 81.890 16.239 3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 82.723 18.475 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 82.018 17.778 1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 81.174 18.961 2.663 1.00 0.00 H new ATOM 188 N VAL A 13 81.147 12.451 4.231 1.00 0.00 N ATOM 189 CA VAL A 13 82.236 11.507 3.862 1.00 0.00 C ATOM 190 C VAL A 13 81.952 10.141 4.484 1.00 0.00 C ATOM 191 O VAL A 13 82.337 9.114 3.962 1.00 0.00 O ATOM 192 CB VAL A 13 83.507 12.125 4.451 1.00 0.00 C ATOM 193 CG1 VAL A 13 84.598 11.058 4.561 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.991 13.256 3.541 1.00 0.00 C ATOM 0 H VAL A 13 81.327 13.012 5.063 1.00 0.00 H new ATOM 0 HA VAL A 13 82.327 11.358 2.786 1.00 0.00 H new ATOM 0 HB VAL A 13 83.289 12.521 5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.501 11.502 4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 13 84.255 10.252 5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.817 10.658 3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 13 84.896 13.697 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 13 84.206 12.858 2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.216 14.019 3.466 1.00 0.00 H new ATOM 204 N ARG A 14 81.269 10.124 5.597 1.00 0.00 N ATOM 205 CA ARG A 14 80.947 8.825 6.253 1.00 0.00 C ATOM 206 C ARG A 14 80.029 8.004 5.344 1.00 0.00 C ATOM 207 O ARG A 14 80.177 6.804 5.215 1.00 0.00 O ATOM 208 CB ARG A 14 80.223 9.203 7.546 1.00 0.00 C ATOM 209 CG ARG A 14 80.606 8.219 8.653 1.00 0.00 C ATOM 210 CD ARG A 14 79.698 8.434 9.865 1.00 0.00 C ATOM 211 NE ARG A 14 80.306 7.618 10.952 1.00 0.00 N ATOM 212 CZ ARG A 14 79.541 6.951 11.773 1.00 0.00 C ATOM 213 NH1 ARG A 14 78.894 7.578 12.717 1.00 0.00 N ATOM 214 NH2 ARG A 14 79.423 5.658 11.649 1.00 0.00 N ATOM 0 H ARG A 14 80.921 10.953 6.079 1.00 0.00 H new ATOM 0 HA ARG A 14 81.834 8.222 6.448 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.488 10.219 7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 14 79.144 9.188 7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 14 80.512 7.195 8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 14 81.649 8.362 8.937 1.00 0.00 H new ATOM 0 HD2 ARG A 14 79.651 9.487 10.141 1.00 0.00 H new ATOM 0 HD3 ARG A 14 78.677 8.114 9.655 1.00 0.00 H new ATOM 0 HE ARG A 14 81.320 7.580 11.055 1.00 0.00 H new ATOM 0 HH11 ARG A 14 78.986 8.589 12.813 1.00 0.00 H new ATOM 0 HH12 ARG A 14 78.296 7.057 13.358 1.00 0.00 H new ATOM 0 HH21 ARG A 14 79.928 5.168 10.911 1.00 0.00 H new ATOM 0 HH22 ARG A 14 78.825 5.137 12.290 1.00 0.00 H new ATOM 228 N ALA A 15 79.084 8.642 4.709 1.00 0.00 N ATOM 229 CA ALA A 15 78.162 7.901 3.807 1.00 0.00 C ATOM 230 C ALA A 15 78.919 7.409 2.571 1.00 0.00 C ATOM 231 O ALA A 15 78.485 6.506 1.883 1.00 0.00 O ATOM 232 CB ALA A 15 77.092 8.919 3.412 1.00 0.00 C ATOM 0 H ALA A 15 78.912 9.645 4.777 1.00 0.00 H new ATOM 0 HA ALA A 15 77.730 7.022 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.371 8.448 2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.580 9.274 4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.561 9.761 2.904 1.00 0.00 H new ATOM 238 N ALA A 16 80.049 7.996 2.284 1.00 0.00 N ATOM 239 CA ALA A 16 80.834 7.563 1.091 1.00 0.00 C ATOM 240 C ALA A 16 81.202 6.083 1.208 1.00 0.00 C ATOM 241 O ALA A 16 81.301 5.379 0.223 1.00 0.00 O ATOM 242 CB ALA A 16 82.091 8.432 1.107 1.00 0.00 C ATOM 0 H ALA A 16 80.463 8.756 2.823 1.00 0.00 H new ATOM 0 HA ALA A 16 80.272 7.677 0.164 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.723 8.173 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.808 9.483 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.640 8.261 2.033 1.00 0.00 H new ATOM 248 N ARG A 17 81.399 5.605 2.403 1.00 0.00 N ATOM 249 CA ARG A 17 81.757 4.169 2.581 1.00 0.00 C ATOM 250 C ARG A 17 80.488 3.337 2.777 1.00 0.00 C ATOM 251 O ARG A 17 80.515 2.273 3.364 1.00 0.00 O ATOM 252 CB ARG A 17 82.630 4.126 3.836 1.00 0.00 C ATOM 253 CG ARG A 17 81.812 4.584 5.046 1.00 0.00 C ATOM 254 CD ARG A 17 82.494 5.792 5.694 1.00 0.00 C ATOM 255 NE ARG A 17 83.673 5.231 6.410 1.00 0.00 N ATOM 256 CZ ARG A 17 84.761 5.941 6.530 1.00 0.00 C ATOM 257 NH1 ARG A 17 84.681 7.237 6.669 1.00 0.00 N ATOM 258 NH2 ARG A 17 85.927 5.357 6.513 1.00 0.00 N ATOM 0 H ARG A 17 81.328 6.145 3.265 1.00 0.00 H new ATOM 0 HA ARG A 17 82.278 3.760 1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 17 83.002 3.114 3.998 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.500 4.769 3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 17 80.800 4.846 4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.724 3.772 5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 17 82.798 6.522 4.944 1.00 0.00 H new ATOM 0 HD3 ARG A 17 81.821 6.303 6.382 1.00 0.00 H new ATOM 0 HE ARG A 17 83.630 4.292 6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 17 83.769 7.693 6.684 1.00 0.00 H new ATOM 0 HH12 ARG A 17 85.531 7.793 6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 17 85.989 4.345 6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 17 86.777 5.913 6.607 1.00 0.00 H new ATOM 272 N THR A 18 79.375 3.815 2.292 1.00 0.00 N ATOM 273 CA THR A 18 78.104 3.052 2.453 1.00 0.00 C ATOM 274 C THR A 18 77.171 3.314 1.268 1.00 0.00 C ATOM 275 O THR A 18 77.272 4.318 0.592 1.00 0.00 O ATOM 276 CB THR A 18 77.488 3.582 3.749 1.00 0.00 C ATOM 277 OG1 THR A 18 78.453 3.512 4.790 1.00 0.00 O ATOM 278 CG2 THR A 18 76.271 2.735 4.121 1.00 0.00 C ATOM 0 H THR A 18 79.290 4.700 1.792 1.00 0.00 H new ATOM 0 HA THR A 18 78.271 1.976 2.489 1.00 0.00 H new ATOM 0 HB THR A 18 77.177 4.617 3.609 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.062 3.852 5.622 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.833 3.113 5.045 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.533 2.788 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.578 1.699 4.263 1.00 0.00 H new ATOM 286 N LEU A 19 76.262 2.413 1.016 1.00 0.00 N ATOM 287 CA LEU A 19 75.315 2.596 -0.125 1.00 0.00 C ATOM 288 C LEU A 19 73.959 1.984 0.221 1.00 0.00 C ATOM 289 O LEU A 19 73.776 1.399 1.269 1.00 0.00 O ATOM 290 CB LEU A 19 75.938 1.867 -1.325 1.00 0.00 C ATOM 291 CG LEU A 19 76.828 0.716 -0.853 1.00 0.00 C ATOM 292 CD1 LEU A 19 76.672 -0.473 -1.801 1.00 0.00 C ATOM 293 CD2 LEU A 19 78.286 1.177 -0.851 1.00 0.00 C ATOM 0 H LEU A 19 76.132 1.555 1.552 1.00 0.00 H new ATOM 0 HA LEU A 19 75.155 3.651 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.150 1.483 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.525 2.568 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 19 76.535 0.416 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 19 77.307 -1.293 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 19 75.632 -0.799 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 19 76.966 -0.177 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.925 0.360 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.575 1.473 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.398 2.026 -0.177 1.00 0.00 H new ATOM 305 N LEU A 20 73.006 2.120 -0.655 1.00 0.00 N ATOM 306 CA LEU A 20 71.655 1.552 -0.381 1.00 0.00 C ATOM 307 C LEU A 20 71.292 0.493 -1.425 1.00 0.00 C ATOM 308 O LEU A 20 71.195 0.777 -2.602 1.00 0.00 O ATOM 309 CB LEU A 20 70.697 2.740 -0.479 1.00 0.00 C ATOM 310 CG LEU A 20 69.364 2.377 0.178 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.430 2.684 1.674 1.00 0.00 C ATOM 312 CD2 LEU A 20 68.242 3.198 -0.462 1.00 0.00 C ATOM 0 H LEU A 20 73.102 2.600 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 20 71.610 1.064 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.131 3.612 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.539 3.008 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 20 69.166 1.315 0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.480 2.425 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 20 70.230 2.100 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.628 3.746 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.291 2.941 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.441 4.260 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 20 68.194 2.979 -1.529 1.00 0.00 H new ATOM 324 N ALA A 21 71.077 -0.725 -1.005 1.00 0.00 N ATOM 325 CA ALA A 21 70.703 -1.789 -1.981 1.00 0.00 C ATOM 326 C ALA A 21 69.258 -1.574 -2.435 1.00 0.00 C ATOM 327 O ALA A 21 68.395 -1.256 -1.642 1.00 0.00 O ATOM 328 CB ALA A 21 70.838 -3.102 -1.209 1.00 0.00 C ATOM 0 H ALA A 21 71.144 -1.028 -0.033 1.00 0.00 H new ATOM 0 HA ALA A 21 71.329 -1.784 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.579 -3.936 -1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.865 -3.217 -0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.166 -3.090 -0.351 1.00 0.00 H new ATOM 334 N LYS A 22 68.985 -1.734 -3.700 1.00 0.00 N ATOM 335 CA LYS A 22 67.591 -1.523 -4.184 1.00 0.00 C ATOM 336 C LYS A 22 67.171 -2.659 -5.117 1.00 0.00 C ATOM 337 O LYS A 22 67.975 -3.471 -5.526 1.00 0.00 O ATOM 338 CB LYS A 22 67.633 -0.195 -4.941 1.00 0.00 C ATOM 339 CG LYS A 22 67.505 0.963 -3.949 1.00 0.00 C ATOM 340 CD LYS A 22 66.697 2.094 -4.587 1.00 0.00 C ATOM 341 CE LYS A 22 65.213 1.723 -4.587 1.00 0.00 C ATOM 342 NZ LYS A 22 64.621 2.503 -3.465 1.00 0.00 N ATOM 0 H LYS A 22 69.661 -2.000 -4.416 1.00 0.00 H new ATOM 0 HA LYS A 22 66.870 -1.506 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.567 -0.110 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 22 66.824 -0.154 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 22 67.016 0.622 -3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 22 68.494 1.323 -3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 22 66.851 3.021 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 22 67.039 2.269 -5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 22 64.742 1.978 -5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 22 65.074 0.652 -4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.681 2.122 -3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 65.237 2.432 -2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.532 3.501 -3.745 1.00 0.00 H new ATOM 356 N ASN A 23 65.914 -2.718 -5.457 1.00 0.00 N ATOM 357 CA ASN A 23 65.437 -3.798 -6.367 1.00 0.00 C ATOM 358 C ASN A 23 65.662 -5.170 -5.727 1.00 0.00 C ATOM 359 O ASN A 23 65.576 -6.191 -6.379 1.00 0.00 O ATOM 360 CB ASN A 23 66.281 -3.651 -7.633 1.00 0.00 C ATOM 361 CG ASN A 23 65.464 -4.093 -8.847 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.829 -3.283 -9.493 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.454 -5.352 -9.188 1.00 0.00 N ATOM 0 H ASN A 23 65.195 -2.065 -5.144 1.00 0.00 H new ATOM 0 HA ASN A 23 64.370 -3.719 -6.577 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.598 -2.615 -7.753 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.186 -4.254 -7.551 1.00 0.00 H new ATOM 0 HD21 ASN A 23 64.913 -5.657 -9.997 1.00 0.00 H new ATOM 0 HD22 ASN A 23 65.987 -6.032 -8.645 1.00 0.00 H new ATOM 370 N LEU A 24 65.944 -5.203 -4.453 1.00 0.00 N ATOM 371 CA LEU A 24 66.167 -6.513 -3.777 1.00 0.00 C ATOM 372 C LEU A 24 64.937 -7.406 -3.962 1.00 0.00 C ATOM 373 O LEU A 24 64.129 -7.184 -4.841 1.00 0.00 O ATOM 374 CB LEU A 24 66.373 -6.170 -2.300 1.00 0.00 C ATOM 375 CG LEU A 24 67.819 -5.734 -2.072 1.00 0.00 C ATOM 376 CD1 LEU A 24 68.745 -6.943 -2.213 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.201 -4.675 -3.107 1.00 0.00 C ATOM 0 H LEU A 24 66.029 -4.383 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 24 67.020 -7.055 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.691 -5.373 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.141 -7.036 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 24 67.919 -5.316 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.777 -6.632 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 24 68.473 -7.698 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.646 -7.362 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.233 -4.363 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.101 -5.093 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 24 67.542 -3.813 -3.006 1.00 0.00 H new ATOM 389 N SER A 25 64.785 -8.411 -3.144 1.00 0.00 N ATOM 390 CA SER A 25 63.601 -9.306 -3.287 1.00 0.00 C ATOM 391 C SER A 25 62.943 -9.538 -1.927 1.00 0.00 C ATOM 392 O SER A 25 63.542 -9.324 -0.891 1.00 0.00 O ATOM 393 CB SER A 25 64.161 -10.614 -3.844 1.00 0.00 C ATOM 394 OG SER A 25 63.391 -11.012 -4.970 1.00 0.00 O ATOM 0 H SER A 25 65.425 -8.651 -2.387 1.00 0.00 H new ATOM 0 HA SER A 25 62.837 -8.879 -3.937 1.00 0.00 H new ATOM 0 HB2 SER A 25 65.205 -10.484 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 25 64.135 -11.390 -3.078 1.00 0.00 H new ATOM 0 HG SER A 25 63.261 -11.983 -4.951 1.00 0.00 H new ATOM 400 N PHE A 26 61.716 -9.978 -1.923 1.00 0.00 N ATOM 401 CA PHE A 26 61.018 -10.228 -0.634 1.00 0.00 C ATOM 402 C PHE A 26 61.609 -11.464 0.049 1.00 0.00 C ATOM 403 O PHE A 26 61.402 -11.695 1.224 1.00 0.00 O ATOM 404 CB PHE A 26 59.564 -10.476 -1.032 1.00 0.00 C ATOM 405 CG PHE A 26 58.748 -9.231 -0.772 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.801 -8.160 -1.673 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.938 -9.148 0.367 1.00 0.00 C ATOM 408 CE1 PHE A 26 58.044 -7.007 -1.436 1.00 0.00 C ATOM 409 CE2 PHE A 26 57.180 -7.994 0.604 1.00 0.00 C ATOM 410 CZ PHE A 26 57.233 -6.925 -0.297 1.00 0.00 C ATOM 0 H PHE A 26 61.166 -10.175 -2.759 1.00 0.00 H new ATOM 0 HA PHE A 26 61.117 -9.401 0.069 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.506 -10.747 -2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.159 -11.314 -0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.426 -8.224 -2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.898 -9.973 1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 26 58.085 -6.181 -2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.555 -7.930 1.482 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.648 -6.036 -0.114 1.00 0.00 H new ATOM 420 N ASN A 27 62.341 -12.259 -0.681 1.00 0.00 N ATOM 421 CA ASN A 27 62.946 -13.478 -0.083 1.00 0.00 C ATOM 422 C ASN A 27 64.399 -13.210 0.319 1.00 0.00 C ATOM 423 O ASN A 27 64.823 -13.549 1.406 1.00 0.00 O ATOM 424 CB ASN A 27 62.879 -14.535 -1.186 1.00 0.00 C ATOM 425 CG ASN A 27 62.154 -15.776 -0.662 1.00 0.00 C ATOM 426 OD1 ASN A 27 62.691 -16.864 -0.687 1.00 0.00 O ATOM 427 ND2 ASN A 27 60.945 -15.656 -0.184 1.00 0.00 N ATOM 0 H ASN A 27 62.546 -12.115 -1.670 1.00 0.00 H new ATOM 0 HA ASN A 27 62.424 -13.796 0.819 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.356 -14.136 -2.055 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.885 -14.799 -1.512 1.00 0.00 H new ATOM 0 HD21 ASN A 27 60.452 -16.477 0.168 1.00 0.00 H new ATOM 0 HD22 ASN A 27 60.493 -14.742 -0.163 1.00 0.00 H new ATOM 434 N ILE A 28 65.166 -12.605 -0.547 1.00 0.00 N ATOM 435 CA ILE A 28 66.589 -12.323 -0.205 1.00 0.00 C ATOM 436 C ILE A 28 66.674 -11.718 1.201 1.00 0.00 C ATOM 437 O ILE A 28 65.676 -11.371 1.800 1.00 0.00 O ATOM 438 CB ILE A 28 67.075 -11.345 -1.294 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.066 -12.074 -2.202 1.00 0.00 C ATOM 440 CG2 ILE A 28 67.770 -10.122 -0.680 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.353 -11.218 -3.436 1.00 0.00 C ATOM 0 H ILE A 28 64.870 -12.295 -1.473 1.00 0.00 H new ATOM 0 HA ILE A 28 67.211 -13.218 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 28 66.209 -10.999 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.991 -12.274 -1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 28 67.658 -13.039 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 28 68.100 -9.454 -1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 28 67.072 -9.595 -0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 28 68.633 -10.447 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.059 -11.738 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 28 67.425 -11.041 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.779 -10.264 -3.126 1.00 0.00 H new ATOM 453 N THR A 29 67.861 -11.595 1.727 1.00 0.00 N ATOM 454 CA THR A 29 68.015 -11.020 3.096 1.00 0.00 C ATOM 455 C THR A 29 69.458 -10.566 3.328 1.00 0.00 C ATOM 456 O THR A 29 70.288 -10.608 2.438 1.00 0.00 O ATOM 457 CB THR A 29 67.673 -12.169 4.046 1.00 0.00 C ATOM 458 OG1 THR A 29 68.288 -13.363 3.577 1.00 0.00 O ATOM 459 CG2 THR A 29 66.158 -12.362 4.107 1.00 0.00 C ATOM 0 H THR A 29 68.731 -11.867 1.270 1.00 0.00 H new ATOM 0 HA THR A 29 67.376 -10.150 3.246 1.00 0.00 H new ATOM 0 HB THR A 29 68.041 -11.934 5.045 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.936 -13.143 2.875 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.923 -13.182 4.786 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.689 -11.447 4.468 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.781 -12.595 3.111 1.00 0.00 H new ATOM 467 N GLU A 30 69.767 -10.143 4.525 1.00 0.00 N ATOM 468 CA GLU A 30 71.157 -9.702 4.818 1.00 0.00 C ATOM 469 C GLU A 30 72.135 -10.797 4.397 1.00 0.00 C ATOM 470 O GLU A 30 73.248 -10.531 3.994 1.00 0.00 O ATOM 471 CB GLU A 30 71.200 -9.488 6.331 1.00 0.00 C ATOM 472 CG GLU A 30 71.792 -8.111 6.637 1.00 0.00 C ATOM 473 CD GLU A 30 71.390 -7.684 8.049 1.00 0.00 C ATOM 474 OE1 GLU A 30 70.208 -7.734 8.348 1.00 0.00 O ATOM 475 OE2 GLU A 30 72.270 -7.315 8.809 1.00 0.00 O ATOM 0 H GLU A 30 69.117 -10.085 5.309 1.00 0.00 H new ATOM 0 HA GLU A 30 71.433 -8.795 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.196 -9.564 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.801 -10.266 6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.878 -8.143 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.436 -7.381 5.910 1.00 0.00 H new ATOM 482 N ASP A 31 71.718 -12.031 4.477 1.00 0.00 N ATOM 483 CA ASP A 31 72.615 -13.148 4.068 1.00 0.00 C ATOM 484 C ASP A 31 72.983 -12.987 2.595 1.00 0.00 C ATOM 485 O ASP A 31 74.143 -12.946 2.231 1.00 0.00 O ATOM 486 CB ASP A 31 71.795 -14.420 4.285 1.00 0.00 C ATOM 487 CG ASP A 31 72.737 -15.613 4.457 1.00 0.00 C ATOM 488 OD1 ASP A 31 73.286 -15.758 5.536 1.00 0.00 O ATOM 489 OD2 ASP A 31 72.893 -16.362 3.505 1.00 0.00 O ATOM 0 H ASP A 31 70.795 -12.314 4.808 1.00 0.00 H new ATOM 0 HA ASP A 31 73.545 -13.172 4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.164 -14.312 5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.132 -14.587 3.436 1.00 0.00 H new ATOM 494 N GLU A 32 72.002 -12.881 1.747 1.00 0.00 N ATOM 495 CA GLU A 32 72.289 -12.705 0.296 1.00 0.00 C ATOM 496 C GLU A 32 73.057 -11.402 0.084 1.00 0.00 C ATOM 497 O GLU A 32 73.978 -11.323 -0.711 1.00 0.00 O ATOM 498 CB GLU A 32 70.918 -12.641 -0.379 1.00 0.00 C ATOM 499 CG GLU A 32 70.378 -14.059 -0.574 1.00 0.00 C ATOM 500 CD GLU A 32 70.379 -14.795 0.768 1.00 0.00 C ATOM 501 OE1 GLU A 32 69.507 -14.514 1.575 1.00 0.00 O ATOM 502 OE2 GLU A 32 71.249 -15.625 0.967 1.00 0.00 O ATOM 0 H GLU A 32 71.013 -12.908 1.994 1.00 0.00 H new ATOM 0 HA GLU A 32 72.898 -13.511 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.228 -12.058 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.998 -12.135 -1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.367 -14.022 -0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.992 -14.597 -1.296 1.00 0.00 H new ATOM 509 N LEU A 33 72.704 -10.385 0.818 1.00 0.00 N ATOM 510 CA LEU A 33 73.424 -9.094 0.687 1.00 0.00 C ATOM 511 C LEU A 33 74.819 -9.272 1.265 1.00 0.00 C ATOM 512 O LEU A 33 75.789 -8.742 0.764 1.00 0.00 O ATOM 513 CB LEU A 33 72.615 -8.093 1.512 1.00 0.00 C ATOM 514 CG LEU A 33 71.210 -7.963 0.923 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.282 -7.320 1.955 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.262 -7.086 -0.331 1.00 0.00 C ATOM 0 H LEU A 33 71.948 -10.394 1.502 1.00 0.00 H new ATOM 0 HA LEU A 33 73.523 -8.754 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.557 -8.423 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.111 -7.122 1.514 1.00 0.00 H new ATOM 0 HG LEU A 33 70.833 -8.952 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.280 -7.227 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.245 -7.943 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.659 -6.331 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.261 -6.993 -0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.639 -6.097 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.924 -7.543 -1.067 1.00 0.00 H new ATOM 528 N LYS A 34 74.923 -10.041 2.312 1.00 0.00 N ATOM 529 CA LYS A 34 76.251 -10.282 2.918 1.00 0.00 C ATOM 530 C LYS A 34 77.045 -11.216 2.012 1.00 0.00 C ATOM 531 O LYS A 34 78.259 -11.265 2.049 1.00 0.00 O ATOM 532 CB LYS A 34 75.969 -10.936 4.272 1.00 0.00 C ATOM 533 CG LYS A 34 77.241 -10.923 5.122 1.00 0.00 C ATOM 534 CD LYS A 34 76.862 -10.859 6.603 1.00 0.00 C ATOM 535 CE LYS A 34 77.714 -9.798 7.303 1.00 0.00 C ATOM 536 NZ LYS A 34 77.126 -8.495 6.882 1.00 0.00 N ATOM 0 H LYS A 34 74.143 -10.511 2.771 1.00 0.00 H new ATOM 0 HA LYS A 34 76.834 -9.370 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.170 -10.402 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.626 -11.961 4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.832 -11.817 4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.860 -10.066 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 34 75.804 -10.619 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 34 77.016 -11.831 7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 34 77.680 -9.915 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.760 -9.873 7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 77.856 -7.920 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 76.343 -8.666 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 76.769 -7.989 7.718 1.00 0.00 H new ATOM 550 N GLU A 35 76.353 -11.944 1.188 1.00 0.00 N ATOM 551 CA GLU A 35 77.030 -12.873 0.250 1.00 0.00 C ATOM 552 C GLU A 35 77.493 -12.100 -0.984 1.00 0.00 C ATOM 553 O GLU A 35 78.542 -12.363 -1.539 1.00 0.00 O ATOM 554 CB GLU A 35 75.969 -13.909 -0.126 1.00 0.00 C ATOM 555 CG GLU A 35 76.647 -15.240 -0.456 1.00 0.00 C ATOM 556 CD GLU A 35 76.461 -15.554 -1.941 1.00 0.00 C ATOM 557 OE1 GLU A 35 75.380 -15.305 -2.449 1.00 0.00 O ATOM 558 OE2 GLU A 35 77.403 -16.039 -2.547 1.00 0.00 O ATOM 0 H GLU A 35 75.335 -11.935 1.124 1.00 0.00 H new ATOM 0 HA GLU A 35 77.910 -13.345 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.267 -14.041 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.393 -13.560 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.709 -15.189 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 35 76.220 -16.038 0.151 1.00 0.00 H new ATOM 565 N VAL A 36 76.723 -11.135 -1.405 1.00 0.00 N ATOM 566 CA VAL A 36 77.121 -10.329 -2.593 1.00 0.00 C ATOM 567 C VAL A 36 78.063 -9.212 -2.148 1.00 0.00 C ATOM 568 O VAL A 36 79.002 -8.862 -2.835 1.00 0.00 O ATOM 569 CB VAL A 36 75.814 -9.750 -3.140 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.117 -8.551 -4.043 1.00 0.00 C ATOM 571 CG2 VAL A 36 75.083 -10.821 -3.951 1.00 0.00 C ATOM 0 H VAL A 36 75.836 -10.870 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 36 77.642 -10.917 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 36 75.188 -9.428 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.184 -8.142 -4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.638 -7.785 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.745 -8.871 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 36 74.152 -10.410 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.713 -11.143 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.862 -11.675 -3.311 1.00 0.00 H new ATOM 581 N PHE A 37 77.814 -8.647 -0.998 1.00 0.00 N ATOM 582 CA PHE A 37 78.679 -7.557 -0.497 1.00 0.00 C ATOM 583 C PHE A 37 79.644 -8.094 0.566 1.00 0.00 C ATOM 584 O PHE A 37 79.790 -7.524 1.628 1.00 0.00 O ATOM 585 CB PHE A 37 77.703 -6.563 0.121 1.00 0.00 C ATOM 586 CG PHE A 37 76.850 -5.945 -0.961 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.440 -5.492 -2.145 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.466 -5.826 -0.777 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.647 -4.921 -3.148 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.674 -5.255 -1.778 1.00 0.00 C ATOM 591 CZ PHE A 37 75.264 -4.802 -2.964 1.00 0.00 C ATOM 0 H PHE A 37 77.040 -8.901 -0.384 1.00 0.00 H new ATOM 0 HA PHE A 37 79.292 -7.109 -1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.071 -7.067 0.852 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.250 -5.786 0.654 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.507 -5.582 -2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.011 -6.175 0.138 1.00 0.00 H new ATOM 0 HE1 PHE A 37 77.102 -4.572 -4.063 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.607 -5.163 -1.636 1.00 0.00 H new ATOM 0 HZ PHE A 37 74.652 -4.361 -3.737 1.00 0.00 H new ATOM 601 N GLU A 38 80.297 -9.190 0.291 1.00 0.00 N ATOM 602 CA GLU A 38 81.243 -9.767 1.290 1.00 0.00 C ATOM 603 C GLU A 38 82.436 -8.831 1.507 1.00 0.00 C ATOM 604 O GLU A 38 83.257 -9.049 2.376 1.00 0.00 O ATOM 605 CB GLU A 38 81.706 -11.091 0.679 1.00 0.00 C ATOM 606 CG GLU A 38 82.216 -10.849 -0.743 1.00 0.00 C ATOM 607 CD GLU A 38 83.456 -11.710 -0.994 1.00 0.00 C ATOM 608 OE1 GLU A 38 84.224 -11.892 -0.064 1.00 0.00 O ATOM 609 OE2 GLU A 38 83.614 -12.173 -2.112 1.00 0.00 O ATOM 0 H GLU A 38 80.217 -9.711 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 38 80.773 -9.906 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 38 82.496 -11.529 1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 38 80.882 -11.804 0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 38 81.438 -11.093 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.458 -9.795 -0.879 1.00 0.00 H new ATOM 616 N ASP A 39 82.543 -7.791 0.726 1.00 0.00 N ATOM 617 CA ASP A 39 83.686 -6.848 0.896 1.00 0.00 C ATOM 618 C ASP A 39 83.253 -5.621 1.699 1.00 0.00 C ATOM 619 O ASP A 39 83.936 -4.618 1.731 1.00 0.00 O ATOM 620 CB ASP A 39 84.085 -6.447 -0.524 1.00 0.00 C ATOM 621 CG ASP A 39 85.511 -5.896 -0.517 1.00 0.00 C ATOM 622 OD1 ASP A 39 85.735 -4.892 0.141 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.357 -6.485 -1.168 1.00 0.00 O ATOM 0 H ASP A 39 81.890 -7.553 -0.021 1.00 0.00 H new ATOM 0 HA ASP A 39 84.514 -7.302 1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 39 84.020 -7.309 -1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.395 -5.696 -0.908 1.00 0.00 H new ATOM 628 N ALA A 40 82.124 -5.689 2.349 1.00 0.00 N ATOM 629 CA ALA A 40 81.661 -4.519 3.146 1.00 0.00 C ATOM 630 C ALA A 40 81.690 -4.849 4.642 1.00 0.00 C ATOM 631 O ALA A 40 81.972 -5.963 5.037 1.00 0.00 O ATOM 632 CB ALA A 40 80.229 -4.261 2.678 1.00 0.00 C ATOM 0 H ALA A 40 81.505 -6.500 2.363 1.00 0.00 H new ATOM 0 HA ALA A 40 82.298 -3.646 3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.817 -3.410 3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.229 -4.045 1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.619 -5.144 2.869 1.00 0.00 H new ATOM 638 N LEU A 41 81.395 -3.890 5.476 1.00 0.00 N ATOM 639 CA LEU A 41 81.401 -4.142 6.940 1.00 0.00 C ATOM 640 C LEU A 41 80.093 -4.811 7.352 1.00 0.00 C ATOM 641 O LEU A 41 80.078 -5.806 8.050 1.00 0.00 O ATOM 642 CB LEU A 41 81.506 -2.761 7.591 1.00 0.00 C ATOM 643 CG LEU A 41 82.622 -1.950 6.934 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.401 -0.465 7.223 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.971 -2.387 7.506 1.00 0.00 C ATOM 0 H LEU A 41 81.149 -2.939 5.202 1.00 0.00 H new ATOM 0 HA LEU A 41 82.220 -4.796 7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.558 -2.233 7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.704 -2.868 8.658 1.00 0.00 H new ATOM 0 HG LEU A 41 82.614 -2.118 5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.195 0.119 6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.437 -0.155 6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.413 -0.298 8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.769 -1.810 7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.982 -2.216 8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 41 84.125 -3.447 7.305 1.00 0.00 H new ATOM 657 N GLU A 42 78.992 -4.261 6.924 1.00 0.00 N ATOM 658 CA GLU A 42 77.672 -4.844 7.285 1.00 0.00 C ATOM 659 C GLU A 42 76.615 -4.421 6.267 1.00 0.00 C ATOM 660 O GLU A 42 76.841 -3.564 5.434 1.00 0.00 O ATOM 661 CB GLU A 42 77.352 -4.270 8.665 1.00 0.00 C ATOM 662 CG GLU A 42 78.257 -4.923 9.711 1.00 0.00 C ATOM 663 CD GLU A 42 77.577 -4.871 11.080 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.977 -3.851 11.384 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.665 -5.851 11.801 1.00 0.00 O ATOM 0 H GLU A 42 78.950 -3.428 6.337 1.00 0.00 H new ATOM 0 HA GLU A 42 77.687 -5.934 7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.499 -3.190 8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.305 -4.449 8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.462 -5.957 9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 42 79.216 -4.407 9.750 1.00 0.00 H new ATOM 672 N ILE A 43 75.464 -5.021 6.325 1.00 0.00 N ATOM 673 CA ILE A 43 74.391 -4.659 5.359 1.00 0.00 C ATOM 674 C ILE A 43 73.047 -4.537 6.075 1.00 0.00 C ATOM 675 O ILE A 43 72.794 -5.193 7.065 1.00 0.00 O ATOM 676 CB ILE A 43 74.365 -5.806 4.354 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.672 -5.807 3.562 1.00 0.00 C ATOM 678 CG2 ILE A 43 73.186 -5.622 3.397 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.785 -7.107 2.769 1.00 0.00 C ATOM 0 H ILE A 43 75.217 -5.746 6.998 1.00 0.00 H new ATOM 0 HA ILE A 43 74.576 -3.699 4.878 1.00 0.00 H new ATOM 0 HB ILE A 43 74.255 -6.754 4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.701 -4.952 2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.520 -5.707 4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 43 73.168 -6.442 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 43 72.255 -5.616 3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.293 -4.677 2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.717 -7.109 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.775 -7.954 3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.943 -7.188 2.081 1.00 0.00 H new ATOM 691 N ARG A 44 72.188 -3.695 5.578 1.00 0.00 N ATOM 692 CA ARG A 44 70.859 -3.514 6.220 1.00 0.00 C ATOM 693 C ARG A 44 69.750 -3.656 5.172 1.00 0.00 C ATOM 694 O ARG A 44 70.007 -3.686 3.985 1.00 0.00 O ATOM 695 CB ARG A 44 70.897 -2.094 6.784 1.00 0.00 C ATOM 696 CG ARG A 44 71.302 -2.145 8.257 1.00 0.00 C ATOM 697 CD ARG A 44 70.303 -1.339 9.091 1.00 0.00 C ATOM 698 NE ARG A 44 70.984 -1.117 10.395 1.00 0.00 N ATOM 699 CZ ARG A 44 70.652 -1.832 11.435 1.00 0.00 C ATOM 700 NH1 ARG A 44 69.429 -1.797 11.888 1.00 0.00 N ATOM 701 NH2 ARG A 44 71.544 -2.584 12.022 1.00 0.00 N ATOM 0 H ARG A 44 72.350 -3.121 4.750 1.00 0.00 H new ATOM 0 HA ARG A 44 70.657 -4.255 6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.605 -1.486 6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.920 -1.623 6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.329 -3.179 8.602 1.00 0.00 H new ATOM 0 HG3 ARG A 44 72.306 -1.741 8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 44 70.057 -0.393 8.608 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.368 -1.883 9.221 1.00 0.00 H new ATOM 0 HE ARG A 44 71.711 -0.406 10.476 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.732 -1.211 11.429 1.00 0.00 H new ATOM 0 HH12 ARG A 44 69.170 -2.356 12.701 1.00 0.00 H new ATOM 0 HH21 ARG A 44 72.500 -2.612 11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 44 71.285 -3.143 12.835 1.00 0.00 H new ATOM 715 N LEU A 45 68.521 -3.741 5.599 1.00 0.00 N ATOM 716 CA LEU A 45 67.405 -3.880 4.622 1.00 0.00 C ATOM 717 C LEU A 45 66.496 -2.652 4.689 1.00 0.00 C ATOM 718 O LEU A 45 66.564 -1.869 5.615 1.00 0.00 O ATOM 719 CB LEU A 45 66.648 -5.135 5.059 1.00 0.00 C ATOM 720 CG LEU A 45 65.809 -5.658 3.893 1.00 0.00 C ATOM 721 CD1 LEU A 45 66.698 -5.842 2.663 1.00 0.00 C ATOM 722 CD2 LEU A 45 65.189 -7.005 4.276 1.00 0.00 C ATOM 0 H LEU A 45 68.241 -3.720 6.580 1.00 0.00 H new ATOM 0 HA LEU A 45 67.760 -3.959 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.351 -5.901 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 45 66.005 -4.907 5.909 1.00 0.00 H new ATOM 0 HG LEU A 45 65.019 -4.942 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.098 -6.215 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.142 -4.885 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 45 67.489 -6.557 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 45 64.590 -7.379 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.981 -7.719 4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 45 64.554 -6.877 5.152 1.00 0.00 H new ATOM 734 N VAL A 46 65.649 -2.475 3.714 1.00 0.00 N ATOM 735 CA VAL A 46 64.743 -1.293 3.729 1.00 0.00 C ATOM 736 C VAL A 46 63.496 -1.560 2.877 1.00 0.00 C ATOM 737 O VAL A 46 63.575 -2.062 1.764 1.00 0.00 O ATOM 738 CB VAL A 46 65.575 -0.152 3.144 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.675 1.056 2.884 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.671 0.236 4.139 1.00 0.00 C ATOM 0 H VAL A 46 65.545 -3.095 2.911 1.00 0.00 H new ATOM 0 HA VAL A 46 64.384 -1.059 4.731 1.00 0.00 H new ATOM 0 HB VAL A 46 66.028 -0.475 2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.269 1.869 2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.891 0.780 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.222 1.381 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.267 1.050 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.215 0.560 5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.313 -0.625 4.327 1.00 0.00 H new ATOM 750 N SER A 47 62.347 -1.231 3.405 1.00 0.00 N ATOM 751 CA SER A 47 61.075 -1.456 2.661 1.00 0.00 C ATOM 752 C SER A 47 60.283 -0.150 2.557 1.00 0.00 C ATOM 753 O SER A 47 60.845 0.927 2.545 1.00 0.00 O ATOM 754 CB SER A 47 60.311 -2.479 3.500 1.00 0.00 C ATOM 755 OG SER A 47 59.774 -1.836 4.649 1.00 0.00 O ATOM 0 H SER A 47 62.235 -0.812 4.328 1.00 0.00 H new ATOM 0 HA SER A 47 61.246 -1.804 1.642 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.510 -2.925 2.910 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.975 -3.290 3.800 1.00 0.00 H new ATOM 0 HG SER A 47 59.282 -2.489 5.189 1.00 0.00 H new ATOM 761 N GLN A 48 58.984 -0.238 2.481 1.00 0.00 N ATOM 762 CA GLN A 48 58.157 0.999 2.377 1.00 0.00 C ATOM 763 C GLN A 48 57.592 1.371 3.751 1.00 0.00 C ATOM 764 O GLN A 48 58.136 1.012 4.776 1.00 0.00 O ATOM 765 CB GLN A 48 57.026 0.640 1.412 1.00 0.00 C ATOM 766 CG GLN A 48 56.688 1.856 0.548 1.00 0.00 C ATOM 767 CD GLN A 48 56.235 1.387 -0.837 1.00 0.00 C ATOM 768 OE1 GLN A 48 56.541 2.102 -1.886 1.00 0.00 O flip ATOM 769 NE2 GLN A 48 55.598 0.362 -0.965 1.00 0.00 N flip ATOM 0 H GLN A 48 58.459 -1.112 2.486 1.00 0.00 H new ATOM 0 HA GLN A 48 58.734 1.855 2.027 1.00 0.00 H new ATOM 0 HB2 GLN A 48 57.324 -0.197 0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 48 56.146 0.320 1.969 1.00 0.00 H new ATOM 0 HG2 GLN A 48 55.901 2.444 1.020 1.00 0.00 H new ATOM 0 HG3 GLN A 48 57.559 2.505 0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 48 55.359 -0.196 -0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 48 55.301 0.058 -1.892 1.00 0.00 H new ATOM 778 N ASP A 49 56.501 2.089 3.780 1.00 0.00 N ATOM 779 CA ASP A 49 55.903 2.483 5.087 1.00 0.00 C ATOM 780 C ASP A 49 55.675 1.245 5.958 1.00 0.00 C ATOM 781 O ASP A 49 55.591 1.330 7.166 1.00 0.00 O ATOM 782 CB ASP A 49 54.569 3.140 4.731 1.00 0.00 C ATOM 783 CG ASP A 49 53.647 2.107 4.082 1.00 0.00 C ATOM 784 OD1 ASP A 49 54.161 1.190 3.464 1.00 0.00 O ATOM 785 OD2 ASP A 49 52.443 2.250 4.217 1.00 0.00 O ATOM 0 H ASP A 49 55.999 2.419 2.956 1.00 0.00 H new ATOM 0 HA ASP A 49 56.550 3.154 5.651 1.00 0.00 H new ATOM 0 HB2 ASP A 49 54.102 3.547 5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 49 54.733 3.975 4.050 1.00 0.00 H new ATOM 790 N GLY A 50 55.575 0.093 5.352 1.00 0.00 N ATOM 791 CA GLY A 50 55.353 -1.150 6.143 1.00 0.00 C ATOM 792 C GLY A 50 55.207 -2.341 5.195 1.00 0.00 C ATOM 793 O GLY A 50 54.232 -3.063 5.237 1.00 0.00 O ATOM 0 H GLY A 50 55.638 -0.041 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 50 56.188 -1.314 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 50 54.458 -1.048 6.756 1.00 0.00 H new ATOM 797 N LYS A 51 56.169 -2.551 4.339 1.00 0.00 N ATOM 798 CA LYS A 51 56.086 -3.697 3.389 1.00 0.00 C ATOM 799 C LYS A 51 57.370 -3.775 2.565 1.00 0.00 C ATOM 800 O LYS A 51 57.716 -2.849 1.858 1.00 0.00 O ATOM 801 CB LYS A 51 54.888 -3.383 2.491 1.00 0.00 C ATOM 802 CG LYS A 51 54.304 -4.688 1.945 1.00 0.00 C ATOM 803 CD LYS A 51 52.853 -4.459 1.519 1.00 0.00 C ATOM 804 CE LYS A 51 52.789 -3.298 0.525 1.00 0.00 C ATOM 805 NZ LYS A 51 51.728 -2.396 1.054 1.00 0.00 N ATOM 0 H LYS A 51 57.009 -1.979 4.256 1.00 0.00 H new ATOM 0 HA LYS A 51 55.969 -4.654 3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 51 54.129 -2.841 3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 51 55.196 -2.738 1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 51 54.893 -5.035 1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 51 54.352 -5.467 2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 51 52.450 -5.364 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 51 52.237 -4.239 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 51 53.747 -2.783 0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 51 52.545 -3.650 -0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 51.625 -1.574 0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 50.826 -2.911 1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 51.991 -2.072 2.006 1.00 0.00 H new ATOM 819 N SER A 52 58.080 -4.869 2.660 1.00 0.00 N ATOM 820 CA SER A 52 59.352 -5.013 1.895 1.00 0.00 C ATOM 821 C SER A 52 59.227 -4.365 0.515 1.00 0.00 C ATOM 822 O SER A 52 58.273 -4.580 -0.205 1.00 0.00 O ATOM 823 CB SER A 52 59.570 -6.519 1.767 1.00 0.00 C ATOM 824 OG SER A 52 59.828 -6.848 0.409 1.00 0.00 O ATOM 0 H SER A 52 57.831 -5.672 3.238 1.00 0.00 H new ATOM 0 HA SER A 52 60.187 -4.521 2.394 1.00 0.00 H new ATOM 0 HB2 SER A 52 60.406 -6.830 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.690 -7.056 2.121 1.00 0.00 H new ATOM 0 HG SER A 52 59.064 -7.340 0.041 1.00 0.00 H new ATOM 830 N LYS A 53 60.190 -3.572 0.150 1.00 0.00 N ATOM 831 CA LYS A 53 60.147 -2.901 -1.180 1.00 0.00 C ATOM 832 C LYS A 53 61.386 -3.282 -1.989 1.00 0.00 C ATOM 833 O LYS A 53 61.468 -3.034 -3.174 1.00 0.00 O ATOM 834 CB LYS A 53 60.145 -1.403 -0.872 1.00 0.00 C ATOM 835 CG LYS A 53 59.141 -0.696 -1.785 1.00 0.00 C ATOM 836 CD LYS A 53 59.526 0.779 -1.921 1.00 0.00 C ATOM 837 CE LYS A 53 60.322 0.982 -3.212 1.00 0.00 C ATOM 838 NZ LYS A 53 59.297 1.031 -4.291 1.00 0.00 N ATOM 0 H LYS A 53 61.010 -3.357 0.716 1.00 0.00 H new ATOM 0 HA LYS A 53 59.276 -3.192 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.883 -1.236 0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.142 -0.989 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 53 59.128 -1.171 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 53 58.135 -0.784 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 53 58.630 1.400 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 53 60.120 1.091 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 53 60.903 1.904 -3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 53 61.027 0.167 -3.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 59.566 0.379 -5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 58.373 0.750 -3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 59.235 1.999 -4.667 1.00 0.00 H new ATOM 852 N GLY A 54 62.348 -3.891 -1.352 1.00 0.00 N ATOM 853 CA GLY A 54 63.577 -4.297 -2.077 1.00 0.00 C ATOM 854 C GLY A 54 64.694 -3.282 -1.821 1.00 0.00 C ATOM 855 O GLY A 54 65.581 -3.112 -2.633 1.00 0.00 O ATOM 0 H GLY A 54 62.333 -4.124 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.892 -5.288 -1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.373 -4.365 -3.146 1.00 0.00 H new ATOM 859 N ILE A 55 64.674 -2.605 -0.700 1.00 0.00 N ATOM 860 CA ILE A 55 65.755 -1.617 -0.427 1.00 0.00 C ATOM 861 C ILE A 55 66.653 -2.127 0.705 1.00 0.00 C ATOM 862 O ILE A 55 66.282 -3.014 1.446 1.00 0.00 O ATOM 863 CB ILE A 55 65.030 -0.335 -0.015 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.869 -0.077 -0.979 1.00 0.00 C ATOM 865 CG2 ILE A 55 66.003 0.842 -0.071 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.289 1.315 -0.720 1.00 0.00 C ATOM 0 H ILE A 55 63.965 -2.693 0.028 1.00 0.00 H new ATOM 0 HA ILE A 55 66.398 -1.452 -1.291 1.00 0.00 H new ATOM 0 HB ILE A 55 64.648 -0.444 1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.215 -0.152 -2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.097 -0.835 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.486 1.756 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.834 0.660 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.384 0.951 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.462 1.498 -1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.928 1.373 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.063 2.066 -0.875 1.00 0.00 H new ATOM 878 N ALA A 56 67.832 -1.580 0.843 1.00 0.00 N ATOM 879 CA ALA A 56 68.741 -2.048 1.928 1.00 0.00 C ATOM 880 C ALA A 56 69.909 -1.074 2.104 1.00 0.00 C ATOM 881 O ALA A 56 70.216 -0.293 1.226 1.00 0.00 O ATOM 882 CB ALA A 56 69.248 -3.411 1.459 1.00 0.00 C ATOM 0 H ALA A 56 68.203 -0.834 0.255 1.00 0.00 H new ATOM 0 HA ALA A 56 68.233 -2.109 2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.926 -3.824 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.403 -4.086 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.777 -3.297 0.513 1.00 0.00 H new ATOM 888 N TYR A 57 70.566 -1.119 3.231 1.00 0.00 N ATOM 889 CA TYR A 57 71.718 -0.202 3.465 1.00 0.00 C ATOM 890 C TYR A 57 73.020 -1.005 3.530 1.00 0.00 C ATOM 891 O TYR A 57 73.199 -1.844 4.389 1.00 0.00 O ATOM 892 CB TYR A 57 71.430 0.461 4.813 1.00 0.00 C ATOM 893 CG TYR A 57 70.979 1.884 4.590 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.810 2.782 3.909 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.733 2.307 5.066 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.392 4.102 3.701 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.316 3.627 4.859 1.00 0.00 C ATOM 898 CZ TYR A 57 70.145 4.525 4.177 1.00 0.00 C ATOM 899 OH TYR A 57 69.734 5.826 3.973 1.00 0.00 O ATOM 0 H TYR A 57 70.354 -1.753 4.002 1.00 0.00 H new ATOM 0 HA TYR A 57 71.833 0.532 2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.660 -0.096 5.347 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.324 0.445 5.436 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.773 2.457 3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 57 69.093 1.615 5.593 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.032 4.794 3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.354 3.953 5.226 1.00 0.00 H new ATOM 0 HH TYR A 57 68.845 5.954 4.365 1.00 0.00 H new ATOM 909 N ILE A 58 73.930 -0.759 2.628 1.00 0.00 N ATOM 910 CA ILE A 58 75.215 -1.519 2.646 1.00 0.00 C ATOM 911 C ILE A 58 76.355 -0.594 3.083 1.00 0.00 C ATOM 912 O ILE A 58 76.563 0.457 2.513 1.00 0.00 O ATOM 913 CB ILE A 58 75.442 -1.998 1.203 1.00 0.00 C ATOM 914 CG1 ILE A 58 74.101 -2.224 0.495 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.223 -3.312 1.224 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.298 -3.284 1.247 1.00 0.00 C ATOM 0 H ILE A 58 73.842 -0.069 1.882 1.00 0.00 H new ATOM 0 HA ILE A 58 75.182 -2.357 3.342 1.00 0.00 H new ATOM 0 HB ILE A 58 76.003 -1.235 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.539 -1.291 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 58 74.270 -2.543 -0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.386 -3.655 0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.185 -3.156 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.656 -4.064 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.345 -3.444 0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.859 -4.218 1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 58 73.117 -2.947 2.268 1.00 0.00 H new ATOM 928 N GLU A 59 77.095 -0.974 4.090 1.00 0.00 N ATOM 929 CA GLU A 59 78.215 -0.106 4.553 1.00 0.00 C ATOM 930 C GLU A 59 79.545 -0.849 4.413 1.00 0.00 C ATOM 931 O GLU A 59 79.780 -1.848 5.062 1.00 0.00 O ATOM 932 CB GLU A 59 77.918 0.216 6.026 1.00 0.00 C ATOM 933 CG GLU A 59 77.130 -0.922 6.686 1.00 0.00 C ATOM 934 CD GLU A 59 77.187 -0.770 8.207 1.00 0.00 C ATOM 935 OE1 GLU A 59 78.006 0.005 8.675 1.00 0.00 O ATOM 936 OE2 GLU A 59 76.409 -1.428 8.879 1.00 0.00 O ATOM 0 H GLU A 59 76.973 -1.843 4.609 1.00 0.00 H new ATOM 0 HA GLU A 59 78.295 0.806 3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.853 0.376 6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 59 77.350 1.144 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.094 -0.905 6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.546 -1.885 6.391 1.00 0.00 H new ATOM 943 N PHE A 60 80.415 -0.373 3.561 1.00 0.00 N ATOM 944 CA PHE A 60 81.724 -1.063 3.375 1.00 0.00 C ATOM 945 C PHE A 60 82.809 -0.407 4.227 1.00 0.00 C ATOM 946 O PHE A 60 82.584 0.584 4.891 1.00 0.00 O ATOM 947 CB PHE A 60 82.057 -0.912 1.893 1.00 0.00 C ATOM 948 CG PHE A 60 81.063 -1.697 1.074 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.720 -1.306 1.038 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.484 -2.818 0.348 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.798 -2.034 0.278 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.563 -3.547 -0.412 1.00 0.00 C ATOM 953 CZ PHE A 60 79.220 -3.155 -0.447 1.00 0.00 C ATOM 0 H PHE A 60 80.276 0.460 2.989 1.00 0.00 H new ATOM 0 HA PHE A 60 81.671 -2.108 3.679 1.00 0.00 H new ATOM 0 HB2 PHE A 60 82.030 0.140 1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 60 83.068 -1.269 1.698 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.395 -0.441 1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.521 -3.120 0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.762 -1.731 0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.888 -4.412 -0.971 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.509 -3.717 -1.034 1.00 0.00 H new ATOM 963 N LYS A 61 83.989 -0.961 4.205 1.00 0.00 N ATOM 964 CA LYS A 61 85.104 -0.383 5.008 1.00 0.00 C ATOM 965 C LYS A 61 85.425 1.031 4.520 1.00 0.00 C ATOM 966 O LYS A 61 86.029 1.818 5.219 1.00 0.00 O ATOM 967 CB LYS A 61 86.291 -1.316 4.766 1.00 0.00 C ATOM 968 CG LYS A 61 86.883 -1.748 6.108 1.00 0.00 C ATOM 969 CD LYS A 61 87.405 -3.182 5.999 1.00 0.00 C ATOM 970 CE LYS A 61 88.856 -3.235 6.484 1.00 0.00 C ATOM 971 NZ LYS A 61 89.194 -4.685 6.526 1.00 0.00 N ATOM 0 H LYS A 61 84.231 -1.791 3.664 1.00 0.00 H new ATOM 0 HA LYS A 61 84.856 -0.306 6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.970 -2.190 4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 61 87.049 -0.810 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.692 -1.076 6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.125 -1.684 6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 61 86.786 -3.852 6.596 1.00 0.00 H new ATOM 0 HD3 LYS A 61 87.343 -3.526 4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 61 89.518 -2.694 5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 61 88.961 -2.776 7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 90.175 -4.804 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 88.551 -5.172 7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 89.092 -5.093 5.575 1.00 0.00 H new ATOM 985 N SER A 62 85.022 1.356 3.323 1.00 0.00 N ATOM 986 CA SER A 62 85.301 2.717 2.787 1.00 0.00 C ATOM 987 C SER A 62 84.609 2.900 1.434 1.00 0.00 C ATOM 988 O SER A 62 83.973 1.999 0.924 1.00 0.00 O ATOM 989 CB SER A 62 86.819 2.776 2.626 1.00 0.00 C ATOM 990 OG SER A 62 87.319 1.465 2.403 1.00 0.00 O ATOM 0 H SER A 62 84.511 0.737 2.693 1.00 0.00 H new ATOM 0 HA SER A 62 84.932 3.505 3.443 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.083 3.425 1.791 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.275 3.204 3.519 1.00 0.00 H new ATOM 0 HG SER A 62 88.293 1.500 2.298 1.00 0.00 H new ATOM 996 N GLU A 63 84.728 4.060 0.849 1.00 0.00 N ATOM 997 CA GLU A 63 84.076 4.298 -0.470 1.00 0.00 C ATOM 998 C GLU A 63 84.685 3.381 -1.534 1.00 0.00 C ATOM 999 O GLU A 63 84.013 2.948 -2.449 1.00 0.00 O ATOM 1000 CB GLU A 63 84.361 5.765 -0.793 1.00 0.00 C ATOM 1001 CG GLU A 63 83.837 6.093 -2.192 1.00 0.00 C ATOM 1002 CD GLU A 63 84.735 7.150 -2.839 1.00 0.00 C ATOM 1003 OE1 GLU A 63 85.712 6.769 -3.462 1.00 0.00 O ATOM 1004 OE2 GLU A 63 84.429 8.323 -2.700 1.00 0.00 O ATOM 0 H GLU A 63 85.248 4.852 1.226 1.00 0.00 H new ATOM 0 HA GLU A 63 83.007 4.088 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 63 83.884 6.410 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.432 5.958 -0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.818 5.192 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 63 82.812 6.459 -2.131 1.00 0.00 H new ATOM 1011 N ALA A 64 85.949 3.079 -1.422 1.00 0.00 N ATOM 1012 CA ALA A 64 86.588 2.191 -2.427 1.00 0.00 C ATOM 1013 C ALA A 64 85.985 0.791 -2.337 1.00 0.00 C ATOM 1014 O ALA A 64 85.660 0.178 -3.333 1.00 0.00 O ATOM 1015 CB ALA A 64 88.072 2.168 -2.058 1.00 0.00 C ATOM 0 H ALA A 64 86.564 3.409 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 64 86.436 2.540 -3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.611 1.530 -2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.474 3.180 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.190 1.778 -1.047 1.00 0.00 H new ATOM 1021 N ASP A 65 85.818 0.287 -1.146 1.00 0.00 N ATOM 1022 CA ASP A 65 85.217 -1.066 -0.996 1.00 0.00 C ATOM 1023 C ASP A 65 83.755 -1.011 -1.435 1.00 0.00 C ATOM 1024 O ASP A 65 83.299 -1.806 -2.235 1.00 0.00 O ATOM 1025 CB ASP A 65 85.324 -1.390 0.494 1.00 0.00 C ATOM 1026 CG ASP A 65 86.769 -1.766 0.833 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.665 -1.174 0.253 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.954 -2.637 1.665 1.00 0.00 O ATOM 0 H ASP A 65 86.071 0.752 -0.274 1.00 0.00 H new ATOM 0 HA ASP A 65 85.716 -1.823 -1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.012 -0.530 1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.654 -2.212 0.747 1.00 0.00 H new ATOM 1033 N ALA A 66 83.019 -0.063 -0.921 1.00 0.00 N ATOM 1034 CA ALA A 66 81.589 0.066 -1.309 1.00 0.00 C ATOM 1035 C ALA A 66 81.476 0.410 -2.797 1.00 0.00 C ATOM 1036 O ALA A 66 80.561 -0.017 -3.473 1.00 0.00 O ATOM 1037 CB ALA A 66 81.054 1.212 -0.449 1.00 0.00 C ATOM 0 H ALA A 66 83.349 0.628 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 66 81.030 -0.857 -1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 66 80.000 1.374 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.165 0.958 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.615 2.121 -0.665 1.00 0.00 H new ATOM 1043 N GLU A 67 82.398 1.177 -3.315 1.00 0.00 N ATOM 1044 CA GLU A 67 82.336 1.540 -4.756 1.00 0.00 C ATOM 1045 C GLU A 67 82.779 0.354 -5.616 1.00 0.00 C ATOM 1046 O GLU A 67 82.137 0.005 -6.590 1.00 0.00 O ATOM 1047 CB GLU A 67 83.308 2.710 -4.913 1.00 0.00 C ATOM 1048 CG GLU A 67 83.409 3.093 -6.391 1.00 0.00 C ATOM 1049 CD GLU A 67 83.825 4.560 -6.511 1.00 0.00 C ATOM 1050 OE1 GLU A 67 84.906 4.889 -6.048 1.00 0.00 O ATOM 1051 OE2 GLU A 67 83.057 5.330 -7.063 1.00 0.00 O ATOM 0 H GLU A 67 83.189 1.566 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 67 81.327 1.805 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 67 82.965 3.563 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.290 2.435 -4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 67 84.136 2.456 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.450 2.934 -6.885 1.00 0.00 H new ATOM 1058 N LYS A 68 83.868 -0.270 -5.260 1.00 0.00 N ATOM 1059 CA LYS A 68 84.351 -1.433 -6.053 1.00 0.00 C ATOM 1060 C LYS A 68 83.302 -2.543 -6.030 1.00 0.00 C ATOM 1061 O LYS A 68 83.032 -3.175 -7.030 1.00 0.00 O ATOM 1062 CB LYS A 68 85.631 -1.890 -5.353 1.00 0.00 C ATOM 1063 CG LYS A 68 86.266 -3.033 -6.146 1.00 0.00 C ATOM 1064 CD LYS A 68 86.840 -2.489 -7.455 1.00 0.00 C ATOM 1065 CE LYS A 68 88.331 -2.826 -7.539 1.00 0.00 C ATOM 1066 NZ LYS A 68 88.467 -3.674 -8.755 1.00 0.00 N ATOM 0 H LYS A 68 84.443 -0.024 -4.454 1.00 0.00 H new ATOM 0 HA LYS A 68 84.532 -1.179 -7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.330 -1.058 -5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.406 -2.218 -4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 68 87.055 -3.503 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 68 85.522 -3.802 -6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 68 86.310 -2.921 -8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.697 -1.410 -7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 68 88.936 -1.923 -7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 68 88.666 -3.357 -6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 89.463 -3.945 -8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.886 -4.530 -8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 88.147 -3.140 -9.588 1.00 0.00 H new ATOM 1080 N ASN A 69 82.704 -2.776 -4.895 1.00 0.00 N ATOM 1081 CA ASN A 69 81.666 -3.839 -4.810 1.00 0.00 C ATOM 1082 C ASN A 69 80.392 -3.373 -5.514 1.00 0.00 C ATOM 1083 O ASN A 69 79.850 -4.056 -6.364 1.00 0.00 O ATOM 1084 CB ASN A 69 81.420 -4.024 -3.313 1.00 0.00 C ATOM 1085 CG ASN A 69 82.170 -5.264 -2.826 1.00 0.00 C ATOM 1086 OD1 ASN A 69 81.610 -6.098 -2.143 1.00 0.00 O ATOM 1087 ND2 ASN A 69 83.424 -5.419 -3.152 1.00 0.00 N ATOM 0 H ASN A 69 82.889 -2.277 -4.025 1.00 0.00 H new ATOM 0 HA ASN A 69 81.974 -4.769 -5.288 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.757 -3.143 -2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 69 80.353 -4.131 -3.119 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.936 -6.242 -2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.892 -4.718 -3.726 1.00 0.00 H new ATOM 1094 N LEU A 70 79.916 -2.207 -5.172 1.00 0.00 N ATOM 1095 CA LEU A 70 78.683 -1.687 -5.824 1.00 0.00 C ATOM 1096 C LEU A 70 78.817 -1.801 -7.342 1.00 0.00 C ATOM 1097 O LEU A 70 77.919 -2.250 -8.024 1.00 0.00 O ATOM 1098 CB LEU A 70 78.596 -0.221 -5.395 1.00 0.00 C ATOM 1099 CG LEU A 70 77.628 0.527 -6.314 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.760 1.472 -5.481 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.425 1.339 -7.337 1.00 0.00 C ATOM 0 H LEU A 70 80.328 -1.593 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 70 77.790 -2.242 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.257 -0.154 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.583 0.240 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 70 76.991 -0.190 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 70 76.070 2.005 -6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.194 0.896 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.397 2.190 -4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.737 1.873 -7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 70 79.061 2.056 -6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.045 0.668 -7.931 1.00 0.00 H new ATOM 1113 N GLU A 71 79.937 -1.402 -7.871 1.00 0.00 N ATOM 1114 CA GLU A 71 80.137 -1.490 -9.345 1.00 0.00 C ATOM 1115 C GLU A 71 80.532 -2.917 -9.737 1.00 0.00 C ATOM 1116 O GLU A 71 80.251 -3.374 -10.827 1.00 0.00 O ATOM 1117 CB GLU A 71 81.274 -0.514 -9.651 1.00 0.00 C ATOM 1118 CG GLU A 71 80.691 0.809 -10.150 1.00 0.00 C ATOM 1119 CD GLU A 71 81.730 1.919 -9.986 1.00 0.00 C ATOM 1120 OE1 GLU A 71 82.625 1.750 -9.174 1.00 0.00 O ATOM 1121 OE2 GLU A 71 81.613 2.919 -10.673 1.00 0.00 O ATOM 0 H GLU A 71 80.724 -1.018 -7.348 1.00 0.00 H new ATOM 0 HA GLU A 71 79.232 -1.245 -9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.873 -0.345 -8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.938 -0.938 -10.404 1.00 0.00 H new ATOM 0 HG2 GLU A 71 80.402 0.719 -11.197 1.00 0.00 H new ATOM 0 HG3 GLU A 71 79.789 1.055 -9.590 1.00 0.00 H new ATOM 1128 N GLU A 72 81.189 -3.622 -8.856 1.00 0.00 N ATOM 1129 CA GLU A 72 81.610 -5.012 -9.174 1.00 0.00 C ATOM 1130 C GLU A 72 80.390 -5.908 -9.409 1.00 0.00 C ATOM 1131 O GLU A 72 80.413 -6.789 -10.246 1.00 0.00 O ATOM 1132 CB GLU A 72 82.392 -5.482 -7.946 1.00 0.00 C ATOM 1133 CG GLU A 72 82.540 -7.006 -7.983 1.00 0.00 C ATOM 1134 CD GLU A 72 83.251 -7.419 -9.274 1.00 0.00 C ATOM 1135 OE1 GLU A 72 83.845 -6.557 -9.901 1.00 0.00 O ATOM 1136 OE2 GLU A 72 83.190 -8.589 -9.611 1.00 0.00 O ATOM 0 H GLU A 72 81.452 -3.292 -7.927 1.00 0.00 H new ATOM 0 HA GLU A 72 82.209 -5.057 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.375 -5.012 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 72 81.875 -5.179 -7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 72 83.107 -7.348 -7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 72 81.559 -7.479 -7.928 1.00 0.00 H new ATOM 1143 N LYS A 73 79.328 -5.703 -8.676 1.00 0.00 N ATOM 1144 CA LYS A 73 78.126 -6.562 -8.869 1.00 0.00 C ATOM 1145 C LYS A 73 76.983 -5.755 -9.485 1.00 0.00 C ATOM 1146 O LYS A 73 76.550 -6.020 -10.587 1.00 0.00 O ATOM 1147 CB LYS A 73 77.752 -7.041 -7.467 1.00 0.00 C ATOM 1148 CG LYS A 73 77.536 -8.556 -7.484 1.00 0.00 C ATOM 1149 CD LYS A 73 78.645 -9.240 -6.684 1.00 0.00 C ATOM 1150 CE LYS A 73 78.969 -10.597 -7.314 1.00 0.00 C ATOM 1151 NZ LYS A 73 79.987 -11.206 -6.414 1.00 0.00 N ATOM 0 H LYS A 73 79.242 -4.984 -7.958 1.00 0.00 H new ATOM 0 HA LYS A 73 78.321 -7.394 -9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.542 -6.784 -6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 73 76.846 -6.538 -7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 73 76.563 -8.800 -7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 73 77.535 -8.922 -8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.536 -8.613 -6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.331 -9.374 -5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 73 78.079 -11.222 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.356 -10.480 -8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 80.260 -12.140 -6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 80.825 -10.592 -6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 79.588 -11.312 -5.460 1.00 0.00 H new ATOM 1165 N GLN A 74 76.499 -4.774 -8.776 1.00 0.00 N ATOM 1166 CA GLN A 74 75.376 -3.939 -9.306 1.00 0.00 C ATOM 1167 C GLN A 74 74.367 -4.812 -10.059 1.00 0.00 C ATOM 1168 O GLN A 74 74.525 -5.087 -11.232 1.00 0.00 O ATOM 1169 CB GLN A 74 76.039 -2.943 -10.258 1.00 0.00 C ATOM 1170 CG GLN A 74 75.748 -1.515 -9.788 1.00 0.00 C ATOM 1171 CD GLN A 74 74.236 -1.307 -9.682 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.611 -1.768 -8.747 1.00 0.00 O ATOM 1173 NE2 GLN A 74 73.617 -0.626 -10.606 1.00 0.00 N ATOM 0 H GLN A 74 76.832 -4.511 -7.848 1.00 0.00 H new ATOM 0 HA GLN A 74 74.825 -3.439 -8.509 1.00 0.00 H new ATOM 0 HB2 GLN A 74 77.115 -3.115 -10.289 1.00 0.00 H new ATOM 0 HB3 GLN A 74 75.664 -3.087 -11.271 1.00 0.00 H new ATOM 0 HG2 GLN A 74 76.218 -1.337 -8.821 1.00 0.00 H new ATOM 0 HG3 GLN A 74 76.176 -0.797 -10.488 1.00 0.00 H new ATOM 0 HE21 GLN A 74 74.141 -0.239 -11.391 1.00 0.00 H new ATOM 0 HE22 GLN A 74 72.609 -0.481 -10.544 1.00 0.00 H new ATOM 1182 N GLY A 75 73.330 -5.256 -9.398 1.00 0.00 N ATOM 1183 CA GLY A 75 72.326 -6.112 -10.087 1.00 0.00 C ATOM 1184 C GLY A 75 72.431 -7.540 -9.553 1.00 0.00 C ATOM 1185 O GLY A 75 71.461 -8.112 -9.106 1.00 0.00 O ATOM 0 H GLY A 75 73.137 -5.063 -8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.322 -5.722 -9.920 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.498 -6.100 -11.163 1.00 0.00 H new ATOM 1189 N ALA A 76 73.608 -8.110 -9.592 1.00 0.00 N ATOM 1190 CA ALA A 76 73.802 -9.505 -9.082 1.00 0.00 C ATOM 1191 C ALA A 76 72.556 -10.362 -9.333 1.00 0.00 C ATOM 1192 O ALA A 76 71.623 -10.357 -8.553 1.00 0.00 O ATOM 1193 CB ALA A 76 74.046 -9.344 -7.583 1.00 0.00 C ATOM 0 H ALA A 76 74.451 -7.667 -9.958 1.00 0.00 H new ATOM 0 HA ALA A 76 74.627 -10.009 -9.585 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.198 -10.324 -7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 76 74.932 -8.729 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.182 -8.863 -7.123 1.00 0.00 H new ATOM 1199 N GLU A 77 72.531 -11.099 -10.408 1.00 0.00 N ATOM 1200 CA GLU A 77 71.343 -11.953 -10.697 1.00 0.00 C ATOM 1201 C GLU A 77 71.184 -13.018 -9.607 1.00 0.00 C ATOM 1202 O GLU A 77 71.834 -14.044 -9.632 1.00 0.00 O ATOM 1203 CB GLU A 77 71.642 -12.606 -12.046 1.00 0.00 C ATOM 1204 CG GLU A 77 70.398 -12.538 -12.934 1.00 0.00 C ATOM 1205 CD GLU A 77 70.304 -13.808 -13.782 1.00 0.00 C ATOM 1206 OE1 GLU A 77 70.427 -14.883 -13.218 1.00 0.00 O ATOM 1207 OE2 GLU A 77 70.112 -13.684 -14.980 1.00 0.00 O ATOM 0 H GLU A 77 73.280 -11.148 -11.099 1.00 0.00 H new ATOM 0 HA GLU A 77 70.416 -11.380 -10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 77 72.476 -12.098 -12.531 1.00 0.00 H new ATOM 0 HB3 GLU A 77 71.942 -13.644 -11.901 1.00 0.00 H new ATOM 0 HG2 GLU A 77 69.505 -12.432 -12.319 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.446 -11.661 -13.579 1.00 0.00 H new ATOM 1214 N ILE A 78 70.321 -12.785 -8.653 1.00 0.00 N ATOM 1215 CA ILE A 78 70.120 -13.789 -7.568 1.00 0.00 C ATOM 1216 C ILE A 78 68.639 -13.876 -7.228 1.00 0.00 C ATOM 1217 O ILE A 78 67.849 -13.070 -7.671 1.00 0.00 O ATOM 1218 CB ILE A 78 70.891 -13.261 -6.360 1.00 0.00 C ATOM 1219 CG1 ILE A 78 72.271 -12.754 -6.790 1.00 0.00 C ATOM 1220 CG2 ILE A 78 71.063 -14.385 -5.337 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.853 -11.877 -5.682 1.00 0.00 C ATOM 0 H ILE A 78 69.748 -11.944 -8.579 1.00 0.00 H new ATOM 0 HA ILE A 78 70.464 -14.780 -7.864 1.00 0.00 H new ATOM 0 HB ILE A 78 70.332 -12.437 -5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.934 -13.595 -6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.190 -12.185 -7.716 1.00 0.00 H new ATOM 0 HG21 ILE A 78 71.613 -14.010 -4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 78 70.083 -14.739 -5.017 1.00 0.00 H new ATOM 0 HG23 ILE A 78 71.616 -15.208 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.835 -11.514 -5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.192 -11.029 -5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.948 -12.462 -4.767 1.00 0.00 H new ATOM 1233 N ASP A 79 68.252 -14.838 -6.442 1.00 0.00 N ATOM 1234 CA ASP A 79 66.814 -14.957 -6.083 1.00 0.00 C ATOM 1235 C ASP A 79 65.957 -14.746 -7.333 1.00 0.00 C ATOM 1236 O ASP A 79 64.826 -14.308 -7.260 1.00 0.00 O ATOM 1237 CB ASP A 79 66.565 -13.843 -5.064 1.00 0.00 C ATOM 1238 CG ASP A 79 65.681 -14.373 -3.934 1.00 0.00 C ATOM 1239 OD1 ASP A 79 65.958 -15.459 -3.449 1.00 0.00 O ATOM 1240 OD2 ASP A 79 64.740 -13.686 -3.572 1.00 0.00 O ATOM 0 H ASP A 79 68.865 -15.544 -6.034 1.00 0.00 H new ATOM 0 HA ASP A 79 66.561 -15.936 -5.677 1.00 0.00 H new ATOM 0 HB2 ASP A 79 67.513 -13.486 -4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.084 -12.993 -5.548 1.00 0.00 H new ATOM 1245 N GLY A 80 66.498 -15.051 -8.481 1.00 0.00 N ATOM 1246 CA GLY A 80 65.735 -14.868 -9.741 1.00 0.00 C ATOM 1247 C GLY A 80 65.432 -13.383 -9.945 1.00 0.00 C ATOM 1248 O GLY A 80 64.560 -13.018 -10.708 1.00 0.00 O ATOM 0 H GLY A 80 67.441 -15.421 -8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.309 -15.252 -10.585 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.806 -15.437 -9.702 1.00 0.00 H new ATOM 1252 N ARG A 81 66.150 -12.521 -9.271 1.00 0.00 N ATOM 1253 CA ARG A 81 65.904 -11.059 -9.426 1.00 0.00 C ATOM 1254 C ARG A 81 67.232 -10.297 -9.429 1.00 0.00 C ATOM 1255 O ARG A 81 68.255 -10.807 -9.007 1.00 0.00 O ATOM 1256 CB ARG A 81 65.070 -10.662 -8.206 1.00 0.00 C ATOM 1257 CG ARG A 81 63.755 -11.445 -8.202 1.00 0.00 C ATOM 1258 CD ARG A 81 62.578 -10.468 -8.156 1.00 0.00 C ATOM 1259 NE ARG A 81 62.817 -9.636 -6.944 1.00 0.00 N ATOM 1260 CZ ARG A 81 61.846 -8.923 -6.439 1.00 0.00 C ATOM 1261 NH1 ARG A 81 60.887 -9.506 -5.775 1.00 0.00 N ATOM 1262 NH2 ARG A 81 61.835 -7.629 -6.601 1.00 0.00 N ATOM 0 H ARG A 81 66.896 -12.768 -8.620 1.00 0.00 H new ATOM 0 HA ARG A 81 65.397 -10.826 -10.362 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.627 -10.864 -7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.867 -9.591 -8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 81 63.689 -12.069 -9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 81 63.720 -12.113 -7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 81 62.539 -9.854 -9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 81 61.627 -10.997 -8.090 1.00 0.00 H new ATOM 0 HE ARG A 81 63.739 -9.623 -6.508 1.00 0.00 H new ATOM 0 HH11 ARG A 81 60.895 -10.518 -5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 81 60.129 -8.950 -5.380 1.00 0.00 H new ATOM 0 HH21 ARG A 81 62.585 -7.174 -7.122 1.00 0.00 H new ATOM 0 HH22 ARG A 81 61.077 -7.072 -6.207 1.00 0.00 H new ATOM 1276 N SER A 82 67.225 -9.081 -9.901 1.00 0.00 N ATOM 1277 CA SER A 82 68.477 -8.282 -9.934 1.00 0.00 C ATOM 1278 C SER A 82 68.478 -7.251 -8.803 1.00 0.00 C ATOM 1279 O SER A 82 67.544 -6.489 -8.644 1.00 0.00 O ATOM 1280 CB SER A 82 68.462 -7.583 -11.292 1.00 0.00 C ATOM 1281 OG SER A 82 67.316 -7.990 -12.030 1.00 0.00 O ATOM 0 H SER A 82 66.400 -8.606 -10.267 1.00 0.00 H new ATOM 0 HA SER A 82 69.365 -8.900 -9.801 1.00 0.00 H new ATOM 0 HB2 SER A 82 68.453 -6.502 -11.155 1.00 0.00 H new ATOM 0 HB3 SER A 82 69.368 -7.826 -11.847 1.00 0.00 H new ATOM 0 HG SER A 82 67.309 -7.538 -12.900 1.00 0.00 H new ATOM 1287 N VAL A 83 69.520 -7.218 -8.021 1.00 0.00 N ATOM 1288 CA VAL A 83 69.587 -6.233 -6.905 1.00 0.00 C ATOM 1289 C VAL A 83 70.330 -4.976 -7.360 1.00 0.00 C ATOM 1290 O VAL A 83 71.409 -5.046 -7.915 1.00 0.00 O ATOM 1291 CB VAL A 83 70.353 -6.946 -5.790 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.665 -5.955 -4.668 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.498 -8.089 -5.237 1.00 0.00 C ATOM 0 H VAL A 83 70.330 -7.832 -8.106 1.00 0.00 H new ATOM 0 HA VAL A 83 68.600 -5.913 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 83 71.285 -7.347 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 83 71.211 -6.464 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.273 -5.140 -5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.734 -5.553 -4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.042 -8.599 -4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 83 68.566 -7.687 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.276 -8.797 -6.036 1.00 0.00 H new ATOM 1303 N SER A 84 69.759 -3.826 -7.135 1.00 0.00 N ATOM 1304 CA SER A 84 70.429 -2.566 -7.560 1.00 0.00 C ATOM 1305 C SER A 84 71.191 -1.950 -6.387 1.00 0.00 C ATOM 1306 O SER A 84 70.931 -2.249 -5.238 1.00 0.00 O ATOM 1307 CB SER A 84 69.294 -1.645 -8.005 1.00 0.00 C ATOM 1308 OG SER A 84 69.576 -1.147 -9.306 1.00 0.00 O ATOM 0 H SER A 84 68.857 -3.704 -6.675 1.00 0.00 H new ATOM 0 HA SER A 84 71.155 -2.733 -8.356 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.349 -2.189 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.184 -0.819 -7.303 1.00 0.00 H new ATOM 0 HG SER A 84 68.849 -0.557 -9.595 1.00 0.00 H new ATOM 1314 N LEU A 85 72.130 -1.093 -6.668 1.00 0.00 N ATOM 1315 CA LEU A 85 72.909 -0.457 -5.572 1.00 0.00 C ATOM 1316 C LEU A 85 72.745 1.065 -5.629 1.00 0.00 C ATOM 1317 O LEU A 85 72.890 1.674 -6.669 1.00 0.00 O ATOM 1318 CB LEU A 85 74.359 -0.860 -5.841 1.00 0.00 C ATOM 1319 CG LEU A 85 74.607 -2.261 -5.276 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.433 -3.079 -6.271 1.00 0.00 C ATOM 1321 CD2 LEU A 85 75.371 -2.148 -3.957 1.00 0.00 C ATOM 0 H LEU A 85 72.392 -0.805 -7.611 1.00 0.00 H new ATOM 0 HA LEU A 85 72.578 -0.772 -4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.560 -0.846 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.039 -0.144 -5.380 1.00 0.00 H new ATOM 0 HG LEU A 85 73.651 -2.756 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.608 -4.076 -5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 85 74.891 -3.160 -7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.389 -2.585 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 85 75.549 -3.145 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 85 76.326 -1.651 -4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 85 74.784 -1.567 -3.245 1.00 0.00 H new ATOM 1333 N TYR A 86 72.439 1.680 -4.520 1.00 0.00 N ATOM 1334 CA TYR A 86 72.263 3.160 -4.515 1.00 0.00 C ATOM 1335 C TYR A 86 73.235 3.798 -3.527 1.00 0.00 C ATOM 1336 O TYR A 86 72.987 3.845 -2.341 1.00 0.00 O ATOM 1337 CB TYR A 86 70.827 3.390 -4.055 1.00 0.00 C ATOM 1338 CG TYR A 86 69.894 3.319 -5.238 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.810 2.145 -5.994 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.110 4.428 -5.576 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.941 2.078 -7.088 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.242 4.363 -6.670 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.157 3.188 -7.428 1.00 0.00 C ATOM 1344 OH TYR A 86 67.300 3.124 -8.507 1.00 0.00 O ATOM 0 H TYR A 86 72.303 1.223 -3.618 1.00 0.00 H new ATOM 0 HA TYR A 86 72.456 3.599 -5.494 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.548 2.640 -3.315 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.742 4.363 -3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.416 1.290 -5.733 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.176 5.334 -4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.874 1.171 -7.670 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.637 5.219 -6.931 1.00 0.00 H new ATOM 0 HH TYR A 86 66.831 3.979 -8.603 1.00 0.00 H new ATOM 1354 N TYR A 87 74.338 4.285 -4.008 1.00 0.00 N ATOM 1355 CA TYR A 87 75.326 4.914 -3.102 1.00 0.00 C ATOM 1356 C TYR A 87 74.648 5.962 -2.221 1.00 0.00 C ATOM 1357 O TYR A 87 73.443 6.119 -2.228 1.00 0.00 O ATOM 1358 CB TYR A 87 76.343 5.577 -4.024 1.00 0.00 C ATOM 1359 CG TYR A 87 77.737 5.364 -3.485 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.291 4.078 -3.468 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.477 6.451 -3.008 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.584 3.880 -2.971 1.00 0.00 C ATOM 1363 CE2 TYR A 87 79.772 6.254 -2.512 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.326 4.967 -2.494 1.00 0.00 C ATOM 1365 OH TYR A 87 81.601 4.772 -2.008 1.00 0.00 O ATOM 0 H TYR A 87 74.598 4.274 -4.994 1.00 0.00 H new ATOM 0 HA TYR A 87 75.789 4.188 -2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.264 5.160 -5.028 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.133 6.644 -4.105 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.720 3.239 -3.838 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.050 7.443 -3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 87 80.010 2.888 -2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.343 7.093 -2.144 1.00 0.00 H new ATOM 0 HH TYR A 87 81.680 5.184 -1.123 1.00 0.00 H new ATOM 1375 N THR A 88 75.421 6.680 -1.466 1.00 0.00 N ATOM 1376 CA THR A 88 74.839 7.728 -0.580 1.00 0.00 C ATOM 1377 C THR A 88 75.952 8.589 0.024 1.00 0.00 C ATOM 1378 O THR A 88 75.867 9.026 1.155 1.00 0.00 O ATOM 1379 CB THR A 88 74.103 6.956 0.518 1.00 0.00 C ATOM 1380 OG1 THR A 88 74.649 5.649 0.621 1.00 0.00 O ATOM 1381 CG2 THR A 88 72.617 6.865 0.168 1.00 0.00 C ATOM 0 H THR A 88 76.436 6.589 -1.421 1.00 0.00 H new ATOM 0 HA THR A 88 74.174 8.402 -1.120 1.00 0.00 H new ATOM 0 HB THR A 88 74.219 7.474 1.470 1.00 0.00 H new ATOM 0 HG1 THR A 88 74.180 5.153 1.325 1.00 0.00 H new ATOM 0 HG21 THR A 88 72.092 6.315 0.949 1.00 0.00 H new ATOM 0 HG22 THR A 88 72.200 7.869 0.088 1.00 0.00 H new ATOM 0 HG23 THR A 88 72.498 6.346 -0.783 1.00 0.00 H new ATOM 1389 N GLY A 89 76.992 8.836 -0.721 1.00 0.00 N ATOM 1390 CA GLY A 89 78.109 9.669 -0.190 1.00 0.00 C ATOM 1391 C GLY A 89 78.407 10.818 -1.142 1.00 0.00 C ATOM 1392 O GLY A 89 79.284 11.629 -0.915 1.00 0.00 O ATOM 0 H GLY A 89 77.118 8.498 -1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 89 77.845 10.060 0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 89 79.000 9.055 -0.060 1.00 0.00 H new ATOM 1396 N GLU A 90 77.680 10.882 -2.199 1.00 0.00 N ATOM 1397 CA GLU A 90 77.886 11.967 -3.200 1.00 0.00 C ATOM 1398 C GLU A 90 76.604 12.188 -4.008 1.00 0.00 C ATOM 1399 O GLU A 90 76.253 13.303 -4.341 1.00 0.00 O ATOM 1400 CB GLU A 90 79.011 11.464 -4.104 1.00 0.00 C ATOM 1401 CG GLU A 90 78.642 10.088 -4.662 1.00 0.00 C ATOM 1402 CD GLU A 90 79.911 9.254 -4.846 1.00 0.00 C ATOM 1403 OE1 GLU A 90 80.842 9.450 -4.082 1.00 0.00 O ATOM 1404 OE2 GLU A 90 79.932 8.433 -5.748 1.00 0.00 O ATOM 0 H GLU A 90 76.935 10.223 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 90 78.136 12.920 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 90 79.177 12.167 -4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 90 79.943 11.402 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 90 77.956 9.581 -3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 90 78.125 10.197 -5.615 1.00 0.00 H new ATOM 1411 N LYS A 91 75.904 11.135 -4.324 1.00 0.00 N ATOM 1412 CA LYS A 91 74.645 11.283 -5.107 1.00 0.00 C ATOM 1413 C LYS A 91 73.440 11.338 -4.164 1.00 0.00 C ATOM 1414 O LYS A 91 72.876 12.387 -3.923 1.00 0.00 O ATOM 1415 CB LYS A 91 74.579 10.036 -5.990 1.00 0.00 C ATOM 1416 CG LYS A 91 73.264 10.033 -6.773 1.00 0.00 C ATOM 1417 CD LYS A 91 73.335 8.984 -7.884 1.00 0.00 C ATOM 1418 CE LYS A 91 73.573 9.678 -9.227 1.00 0.00 C ATOM 1419 NZ LYS A 91 75.055 9.748 -9.365 1.00 0.00 N ATOM 0 H LYS A 91 76.149 10.177 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 91 74.630 12.200 -5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 91 75.424 10.020 -6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 91 74.651 9.138 -5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 91 72.431 9.815 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 91 73.080 11.019 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 91 74.139 8.277 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 91 72.408 8.411 -7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 91 73.126 9.116 -10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 91 73.127 10.673 -9.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 75.303 9.921 -10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 75.422 10.523 -8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 75.475 8.849 -9.055 1.00 0.00 H new ATOM 1433 N GLY A 92 73.043 10.217 -3.628 1.00 0.00 N ATOM 1434 CA GLY A 92 71.878 10.204 -2.702 1.00 0.00 C ATOM 1435 C GLY A 92 70.725 11.001 -3.315 1.00 0.00 C ATOM 1436 O GLY A 92 70.799 11.453 -4.440 1.00 0.00 O ATOM 0 H GLY A 92 73.476 9.308 -3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 92 71.563 9.178 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 92 72.160 10.634 -1.741 1.00 0.00 H new ATOM 1440 N GLY A 93 69.659 11.179 -2.582 1.00 0.00 N ATOM 1441 CA GLY A 93 68.503 11.947 -3.123 1.00 0.00 C ATOM 1442 C GLY A 93 67.207 11.433 -2.493 1.00 0.00 C ATOM 1443 O GLY A 93 66.488 12.166 -1.844 1.00 0.00 O ATOM 0 H GLY A 93 69.540 10.826 -1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 93 68.627 13.009 -2.910 1.00 0.00 H new ATOM 0 HA3 GLY A 93 68.459 11.842 -4.207 1.00 0.00 H new ATOM 1447 N THR A 94 66.904 10.178 -2.679 1.00 0.00 N ATOM 1448 CA THR A 94 65.653 9.618 -2.090 1.00 0.00 C ATOM 1449 C THR A 94 65.507 10.070 -0.634 1.00 0.00 C ATOM 1450 O THR A 94 66.478 10.220 0.079 1.00 0.00 O ATOM 1451 CB THR A 94 65.824 8.100 -2.165 1.00 0.00 C ATOM 1452 OG1 THR A 94 66.286 7.741 -3.460 1.00 0.00 O ATOM 1453 CG2 THR A 94 64.481 7.419 -1.893 1.00 0.00 C ATOM 0 H THR A 94 67.467 9.516 -3.213 1.00 0.00 H new ATOM 0 HA THR A 94 64.761 9.954 -2.619 1.00 0.00 H new ATOM 0 HB THR A 94 66.549 7.778 -1.418 1.00 0.00 H new ATOM 0 HG1 THR A 94 66.398 6.769 -3.510 1.00 0.00 H new ATOM 0 HG21 THR A 94 64.604 6.337 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 94 64.128 7.695 -0.900 1.00 0.00 H new ATOM 0 HG23 THR A 94 63.753 7.739 -2.639 1.00 0.00 H new ATOM 1461 N ARG A 95 64.297 10.292 -0.192 1.00 0.00 N ATOM 1462 CA ARG A 95 64.077 10.738 1.211 1.00 0.00 C ATOM 1463 C ARG A 95 65.019 9.995 2.164 1.00 0.00 C ATOM 1464 O ARG A 95 65.202 8.798 2.063 1.00 0.00 O ATOM 1465 CB ARG A 95 62.622 10.387 1.515 1.00 0.00 C ATOM 1466 CG ARG A 95 62.293 10.772 2.959 1.00 0.00 C ATOM 1467 CD ARG A 95 60.891 10.271 3.314 1.00 0.00 C ATOM 1468 NE ARG A 95 60.157 11.482 3.774 1.00 0.00 N ATOM 1469 CZ ARG A 95 58.871 11.422 3.994 1.00 0.00 C ATOM 1470 NH1 ARG A 95 58.319 10.286 4.322 1.00 0.00 N ATOM 1471 NH2 ARG A 95 58.140 12.498 3.886 1.00 0.00 N ATOM 0 H ARG A 95 63.449 10.182 -0.747 1.00 0.00 H new ATOM 0 HA ARG A 95 64.276 11.802 1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 95 61.959 10.913 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 95 62.456 9.320 1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 95 63.028 10.340 3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 95 62.345 11.854 3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 95 60.403 9.817 2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 95 60.929 9.511 4.095 1.00 0.00 H new ATOM 0 HE ARG A 95 60.659 12.359 3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 95 58.892 9.446 4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 95 57.315 10.238 4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 95 58.573 13.385 3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 95 57.136 12.452 4.058 1.00 0.00 H new ATOM 1485 N GLY A 96 65.616 10.695 3.089 1.00 0.00 N ATOM 1486 CA GLY A 96 66.544 10.029 4.046 1.00 0.00 C ATOM 1487 C GLY A 96 67.788 9.545 3.299 1.00 0.00 C ATOM 1488 O GLY A 96 68.642 8.949 3.935 1.00 0.00 O ATOM 1489 OXT GLY A 96 67.866 9.779 2.104 1.00 0.00 O ATOM 0 H GLY A 96 65.501 11.700 3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 96 66.829 10.724 4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 96 66.045 9.187 4.527 1.00 0.00 H new TER 1493 GLY A 96