USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 667 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 13 ASN : amide:sc= -3.26! C(o=-3.3!,f=-4.5!) USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 9 THR OG1 : rot 160:sc= -1.21 USER MOD Set 2.2: A 11 ASN : amide:sc= -2.19 X(o=-3.4,f=-3.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.103 (180deg=-0.798) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.59) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.78) USER MOD Single : A 26 ASN : amide:sc= -1.8 K(o=-1.8,f=-1.1!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.234 USER MOD Single : A 29 THR OG1 : rot -28:sc= 0.451 USER MOD Single : A 30 THR OG1 : rot -141:sc= 0.888 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.89) USER MOD Single : A 38 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.17) USER MOD Single : A 43 ASN : amide:sc= -1.59 K(o=-1.6,f=-3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 114:sc= 0.597 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 153:sc= -1.31 (180deg=-3.52) USER MOD Single : A 68 ASN : amide:sc= -3.5! C(o=-3.5!,f=-10!) USER MOD Single : A 70 ASN : amide:sc= -5.22! K(o=-5.2!,f=-1.4) USER MOD Single : A 72 ASN : amide:sc= -1.73 K(o=-1.7,f=-0.3) USER MOD Single : A 77 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.8!) USER MOD Single : A 80 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.7!) USER MOD Single : A 81 THR OG1 : rot -13:sc= -3.47! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -34:sc= 0.714 USER MOD Single : A 86 ASN : amide:sc= -3.43 K(o=-3.4,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.670 -0.289 -0.332 1.00 1.00 N ATOM 2 CA MET A 1 3.045 0.184 -1.597 1.00 1.00 C ATOM 3 C MET A 1 3.691 1.497 -2.008 1.00 1.00 C ATOM 4 O MET A 1 4.084 1.673 -3.162 1.00 1.00 O ATOM 5 CB MET A 1 1.543 0.388 -1.373 1.00 1.00 C ATOM 6 CG MET A 1 0.887 -0.947 -1.005 1.00 1.00 C ATOM 7 SD MET A 1 0.933 -2.073 -2.429 1.00 1.00 S ATOM 8 CE MET A 1 -0.638 -1.576 -3.181 1.00 1.00 C ATOM 0 H1 MET A 1 3.587 -1.324 -0.269 1.00 1.00 H new ATOM 0 H2 MET A 1 4.675 -0.021 -0.320 1.00 1.00 H new ATOM 0 H3 MET A 1 3.186 0.147 0.479 1.00 1.00 H new ATOM 0 HA MET A 1 3.192 -0.554 -2.386 1.00 1.00 H new ATOM 0 HB2 MET A 1 1.380 1.115 -0.578 1.00 1.00 H new ATOM 0 HB3 MET A 1 1.083 0.793 -2.274 1.00 1.00 H new ATOM 0 HG2 MET A 1 1.407 -1.396 -0.159 1.00 1.00 H new ATOM 0 HG3 MET A 1 -0.145 -0.782 -0.695 1.00 1.00 H new ATOM 0 HE1 MET A 1 -0.807 -2.157 -4.088 1.00 1.00 H new ATOM 0 HE2 MET A 1 -1.451 -1.756 -2.478 1.00 1.00 H new ATOM 0 HE3 MET A 1 -0.602 -0.516 -3.431 1.00 1.00 H new ATOM 20 N GLU A 2 3.786 2.434 -1.062 1.00 1.00 N ATOM 21 CA GLU A 2 4.375 3.747 -1.351 1.00 1.00 C ATOM 22 C GLU A 2 5.024 4.329 -0.113 1.00 1.00 C ATOM 23 O GLU A 2 4.517 4.161 0.989 1.00 1.00 O ATOM 24 CB GLU A 2 3.293 4.709 -1.857 1.00 1.00 C ATOM 25 CG GLU A 2 2.157 4.803 -0.831 1.00 1.00 C ATOM 26 CD GLU A 2 1.029 5.672 -1.382 1.00 1.00 C ATOM 27 OE1 GLU A 2 0.355 5.225 -2.295 1.00 1.00 O ATOM 28 OE2 GLU A 2 0.854 6.771 -0.880 1.00 1.00 O ATOM 0 H GLU A 2 3.468 2.313 -0.101 1.00 1.00 H new ATOM 0 HA GLU A 2 5.136 3.616 -2.120 1.00 1.00 H new ATOM 0 HB2 GLU A 2 3.723 5.696 -2.028 1.00 1.00 H new ATOM 0 HB3 GLU A 2 2.903 4.361 -2.813 1.00 1.00 H new ATOM 0 HG2 GLU A 2 1.780 3.806 -0.600 1.00 1.00 H new ATOM 0 HG3 GLU A 2 2.531 5.226 0.101 1.00 1.00 H new ATOM 35 N ILE A 3 6.168 4.984 -0.294 1.00 1.00 N ATOM 36 CA ILE A 3 6.882 5.555 0.842 1.00 1.00 C ATOM 37 C ILE A 3 6.012 6.556 1.591 1.00 1.00 C ATOM 38 O ILE A 3 5.585 7.568 1.037 1.00 1.00 O ATOM 39 CB ILE A 3 8.155 6.263 0.369 1.00 1.00 C ATOM 40 CG1 ILE A 3 9.090 5.232 -0.277 1.00 1.00 C ATOM 41 CG2 ILE A 3 8.858 6.940 1.570 1.00 1.00 C ATOM 42 CD1 ILE A 3 10.250 5.958 -0.947 1.00 1.00 C ATOM 0 H ILE A 3 6.613 5.130 -1.200 1.00 1.00 H new ATOM 0 HA ILE A 3 7.140 4.736 1.513 1.00 1.00 H new ATOM 0 HB ILE A 3 7.899 7.030 -0.362 1.00 1.00 H new ATOM 0 HG12 ILE A 3 9.465 4.541 0.478 1.00 1.00 H new ATOM 0 HG13 ILE A 3 8.545 4.638 -1.011 1.00 1.00 H new ATOM 0 HG21 ILE A 3 9.763 7.442 1.226 1.00 1.00 H new ATOM 0 HG22 ILE A 3 8.186 7.671 2.020 1.00 1.00 H new ATOM 0 HG23 ILE A 3 9.121 6.185 2.311 1.00 1.00 H new ATOM 0 HD11 ILE A 3 10.918 5.230 -1.408 1.00 1.00 H new ATOM 0 HD12 ILE A 3 9.864 6.632 -1.712 1.00 1.00 H new ATOM 0 HD13 ILE A 3 10.799 6.533 -0.201 1.00 1.00 H new ATOM 54 N ILE A 4 5.778 6.268 2.863 1.00 1.00 N ATOM 55 CA ILE A 4 4.976 7.159 3.715 1.00 1.00 C ATOM 56 C ILE A 4 5.795 8.384 4.099 1.00 1.00 C ATOM 57 O ILE A 4 5.303 9.512 4.075 1.00 1.00 O ATOM 58 CB ILE A 4 4.483 6.403 4.988 1.00 1.00 C ATOM 59 CG1 ILE A 4 3.212 5.569 4.673 1.00 1.00 C ATOM 60 CG2 ILE A 4 4.160 7.389 6.145 1.00 1.00 C ATOM 61 CD1 ILE A 4 3.375 4.758 3.383 1.00 1.00 C ATOM 0 H ILE A 4 6.126 5.432 3.333 1.00 1.00 H new ATOM 0 HA ILE A 4 4.099 7.486 3.156 1.00 1.00 H new ATOM 0 HB ILE A 4 5.291 5.741 5.300 1.00 1.00 H new ATOM 0 HG12 ILE A 4 3.004 4.895 5.504 1.00 1.00 H new ATOM 0 HG13 ILE A 4 2.354 6.234 4.579 1.00 1.00 H new ATOM 0 HG21 ILE A 4 3.819 6.829 7.016 1.00 1.00 H new ATOM 0 HG22 ILE A 4 5.056 7.953 6.404 1.00 1.00 H new ATOM 0 HG23 ILE A 4 3.377 8.078 5.828 1.00 1.00 H new ATOM 0 HD11 ILE A 4 2.466 4.187 3.195 1.00 1.00 H new ATOM 0 HD12 ILE A 4 3.558 5.435 2.548 1.00 1.00 H new ATOM 0 HD13 ILE A 4 4.218 4.074 3.487 1.00 1.00 H new ATOM 73 N ALA A 5 7.032 8.143 4.503 1.00 1.00 N ATOM 74 CA ALA A 5 7.894 9.220 4.948 1.00 1.00 C ATOM 75 C ALA A 5 9.319 8.719 5.085 1.00 1.00 C ATOM 76 O ALA A 5 9.599 7.544 4.849 1.00 1.00 O ATOM 77 CB ALA A 5 7.403 9.731 6.302 1.00 1.00 C ATOM 0 H ALA A 5 7.457 7.216 4.531 1.00 1.00 H new ATOM 0 HA ALA A 5 7.868 10.028 4.216 1.00 1.00 H new ATOM 0 HB1 ALA A 5 8.048 10.541 6.641 1.00 1.00 H new ATOM 0 HB2 ALA A 5 6.381 10.098 6.204 1.00 1.00 H new ATOM 0 HB3 ALA A 5 7.429 8.919 7.028 1.00 1.00 H new ATOM 83 N ILE A 6 10.218 9.622 5.471 1.00 1.00 N ATOM 84 CA ILE A 6 11.633 9.285 5.649 1.00 1.00 C ATOM 85 C ILE A 6 12.117 9.781 7.007 1.00 1.00 C ATOM 86 O ILE A 6 11.944 10.952 7.348 1.00 1.00 O ATOM 87 CB ILE A 6 12.465 9.934 4.534 1.00 1.00 C ATOM 88 CG1 ILE A 6 11.966 9.425 3.170 1.00 1.00 C ATOM 89 CG2 ILE A 6 13.947 9.559 4.716 1.00 1.00 C ATOM 90 CD1 ILE A 6 12.627 10.219 2.040 1.00 1.00 C ATOM 0 H ILE A 6 9.993 10.597 5.668 1.00 1.00 H new ATOM 0 HA ILE A 6 11.751 8.202 5.601 1.00 1.00 H new ATOM 0 HB ILE A 6 12.360 11.018 4.579 1.00 1.00 H new ATOM 0 HG12 ILE A 6 12.195 8.365 3.063 1.00 1.00 H new ATOM 0 HG13 ILE A 6 10.882 9.525 3.110 1.00 1.00 H new ATOM 0 HG21 ILE A 6 14.539 10.019 3.925 1.00 1.00 H new ATOM 0 HG22 ILE A 6 14.296 9.916 5.685 1.00 1.00 H new ATOM 0 HG23 ILE A 6 14.057 8.476 4.668 1.00 1.00 H new ATOM 0 HD11 ILE A 6 12.268 9.852 1.079 1.00 1.00 H new ATOM 0 HD12 ILE A 6 12.376 11.275 2.142 1.00 1.00 H new ATOM 0 HD13 ILE A 6 13.709 10.097 2.094 1.00 1.00 H new ATOM 102 N SER A 7 12.739 8.886 7.772 1.00 1.00 N ATOM 103 CA SER A 7 13.267 9.237 9.090 1.00 1.00 C ATOM 104 C SER A 7 14.743 9.599 8.977 1.00 1.00 C ATOM 105 O SER A 7 15.581 8.748 8.676 1.00 1.00 O ATOM 106 CB SER A 7 13.107 8.051 10.040 1.00 1.00 C ATOM 107 OG SER A 7 13.794 8.323 11.253 1.00 1.00 O ATOM 0 H SER A 7 12.890 7.914 7.503 1.00 1.00 H new ATOM 0 HA SER A 7 12.715 10.093 9.478 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.051 7.871 10.240 1.00 1.00 H new ATOM 0 HB3 SER A 7 13.503 7.146 9.580 1.00 1.00 H new ATOM 0 HG SER A 7 13.691 7.564 11.864 1.00 1.00 H new ATOM 113 N GLU A 8 15.055 10.871 9.224 1.00 1.00 N ATOM 114 CA GLU A 8 16.434 11.353 9.155 1.00 1.00 C ATOM 115 C GLU A 8 17.154 11.044 10.454 1.00 1.00 C ATOM 116 O GLU A 8 16.983 11.741 11.453 1.00 1.00 O ATOM 117 CB GLU A 8 16.449 12.862 8.914 1.00 1.00 C ATOM 118 CG GLU A 8 15.907 13.157 7.515 1.00 1.00 C ATOM 119 CD GLU A 8 15.826 14.667 7.291 1.00 1.00 C ATOM 120 OE1 GLU A 8 16.167 15.405 8.203 1.00 1.00 O ATOM 121 OE2 GLU A 8 15.423 15.062 6.211 1.00 1.00 O ATOM 0 H GLU A 8 14.372 11.586 9.474 1.00 1.00 H new ATOM 0 HA GLU A 8 16.941 10.851 8.331 1.00 1.00 H new ATOM 0 HB2 GLU A 8 15.842 13.368 9.665 1.00 1.00 H new ATOM 0 HB3 GLU A 8 17.464 13.247 9.012 1.00 1.00 H new ATOM 0 HG2 GLU A 8 16.553 12.704 6.763 1.00 1.00 H new ATOM 0 HG3 GLU A 8 14.920 12.711 7.397 1.00 1.00 H new ATOM 128 N THR A 9 17.957 9.987 10.432 1.00 1.00 N ATOM 129 CA THR A 9 18.711 9.566 11.612 1.00 1.00 C ATOM 130 C THR A 9 20.008 10.374 11.720 1.00 1.00 C ATOM 131 O THR A 9 20.486 10.922 10.725 1.00 1.00 O ATOM 132 CB THR A 9 19.036 8.042 11.537 1.00 1.00 C ATOM 133 OG1 THR A 9 20.386 7.803 11.914 1.00 1.00 O ATOM 134 CG2 THR A 9 18.834 7.523 10.114 1.00 1.00 C ATOM 0 H THR A 9 18.105 9.403 9.609 1.00 1.00 H new ATOM 0 HA THR A 9 18.102 9.748 12.498 1.00 1.00 H new ATOM 0 HB THR A 9 18.363 7.524 12.220 1.00 1.00 H new ATOM 0 HG1 THR A 9 20.492 6.864 12.172 1.00 1.00 H new ATOM 0 HG21 THR A 9 19.065 6.458 10.079 1.00 1.00 H new ATOM 0 HG22 THR A 9 17.798 7.680 9.813 1.00 1.00 H new ATOM 0 HG23 THR A 9 19.495 8.060 9.434 1.00 1.00 H new ATOM 142 N PRO A 10 20.593 10.441 12.894 1.00 1.00 N ATOM 143 CA PRO A 10 21.877 11.179 13.114 1.00 1.00 C ATOM 144 C PRO A 10 23.045 10.531 12.359 1.00 1.00 C ATOM 145 O PRO A 10 24.196 10.621 12.787 1.00 1.00 O ATOM 146 CB PRO A 10 22.083 11.109 14.648 1.00 1.00 C ATOM 147 CG PRO A 10 21.304 9.900 15.084 1.00 1.00 C ATOM 148 CD PRO A 10 20.096 9.837 14.148 1.00 1.00 C ATOM 0 HA PRO A 10 21.838 12.202 12.740 1.00 1.00 H new ATOM 0 HB2 PRO A 10 23.139 11.012 14.902 1.00 1.00 H new ATOM 0 HB3 PRO A 10 21.719 12.012 15.138 1.00 1.00 H new ATOM 0 HG2 PRO A 10 21.907 8.995 15.008 1.00 1.00 H new ATOM 0 HG3 PRO A 10 20.991 9.988 16.124 1.00 1.00 H new ATOM 0 HD2 PRO A 10 19.762 8.811 13.993 1.00 1.00 H new ATOM 0 HD3 PRO A 10 19.248 10.391 14.551 1.00 1.00 H new ATOM 156 N ASN A 11 22.755 9.886 11.227 1.00 1.00 N ATOM 157 CA ASN A 11 23.794 9.242 10.424 1.00 1.00 C ATOM 158 C ASN A 11 24.221 10.171 9.302 1.00 1.00 C ATOM 159 O ASN A 11 23.872 11.351 9.299 1.00 1.00 O ATOM 160 CB ASN A 11 23.251 7.945 9.838 1.00 1.00 C ATOM 161 CG ASN A 11 22.903 6.972 10.959 1.00 1.00 C ATOM 162 OD1 ASN A 11 22.161 6.015 10.743 1.00 1.00 O ATOM 163 ND2 ASN A 11 23.390 7.164 12.157 1.00 1.00 N ATOM 0 H ASN A 11 21.812 9.796 10.848 1.00 1.00 H new ATOM 0 HA ASN A 11 24.656 9.022 11.054 1.00 1.00 H new ATOM 0 HB2 ASN A 11 22.366 8.151 9.236 1.00 1.00 H new ATOM 0 HB3 ASN A 11 23.991 7.498 9.174 1.00 1.00 H new ATOM 0 HD21 ASN A 11 23.155 6.520 12.912 1.00 1.00 H new ATOM 0 HD22 ASN A 11 24.005 7.958 12.336 1.00 1.00 H new ATOM 170 N HIS A 12 24.990 9.634 8.352 1.00 1.00 N ATOM 171 CA HIS A 12 25.485 10.421 7.216 1.00 1.00 C ATOM 172 C HIS A 12 24.819 9.995 5.907 1.00 1.00 C ATOM 173 O HIS A 12 24.175 10.802 5.234 1.00 1.00 O ATOM 174 CB HIS A 12 27.004 10.235 7.101 1.00 1.00 C ATOM 175 CG HIS A 12 27.564 11.255 6.149 1.00 1.00 C ATOM 176 ND1 HIS A 12 27.525 11.084 4.775 1.00 1.00 N ATOM 177 CD2 HIS A 12 28.159 12.471 6.361 1.00 1.00 C ATOM 178 CE1 HIS A 12 28.082 12.173 4.218 1.00 1.00 C ATOM 179 NE2 HIS A 12 28.485 13.052 5.140 1.00 1.00 N ATOM 0 H HIS A 12 25.284 8.657 8.345 1.00 1.00 H new ATOM 0 HA HIS A 12 25.242 11.469 7.392 1.00 1.00 H new ATOM 0 HB2 HIS A 12 27.469 10.343 8.081 1.00 1.00 H new ATOM 0 HB3 HIS A 12 27.232 9.229 6.748 1.00 1.00 H new ATOM 0 HD2 HIS A 12 28.346 12.911 7.329 1.00 1.00 H new ATOM 0 HE1 HIS A 12 28.191 12.320 3.154 1.00 1.00 H new ATOM 0 HE2 HIS A 12 28.934 13.954 4.983 1.00 1.00 H new ATOM 188 N ASN A 13 25.000 8.721 5.546 1.00 1.00 N ATOM 189 CA ASN A 13 24.440 8.168 4.303 1.00 1.00 C ATOM 190 C ASN A 13 23.430 7.063 4.594 1.00 1.00 C ATOM 191 O ASN A 13 22.929 6.421 3.673 1.00 1.00 O ATOM 192 CB ASN A 13 25.568 7.604 3.443 1.00 1.00 C ATOM 193 CG ASN A 13 26.376 6.587 4.241 1.00 1.00 C ATOM 194 OD1 ASN A 13 25.850 5.546 4.639 1.00 1.00 O ATOM 195 ND2 ASN A 13 27.631 6.829 4.500 1.00 1.00 N ATOM 0 H ASN A 13 25.532 8.048 6.098 1.00 1.00 H new ATOM 0 HA ASN A 13 23.928 8.972 3.774 1.00 1.00 H new ATOM 0 HB2 ASN A 13 25.155 7.133 2.551 1.00 1.00 H new ATOM 0 HB3 ASN A 13 26.217 8.412 3.105 1.00 1.00 H new ATOM 0 HD21 ASN A 13 28.181 6.156 5.034 1.00 1.00 H new ATOM 0 HD22 ASN A 13 28.063 7.692 4.169 1.00 1.00 H new ATOM 202 N THR A 14 23.129 6.839 5.878 1.00 1.00 N ATOM 203 CA THR A 14 22.170 5.799 6.279 1.00 1.00 C ATOM 204 C THR A 14 20.876 6.441 6.754 1.00 1.00 C ATOM 205 O THR A 14 20.886 7.307 7.625 1.00 1.00 O ATOM 206 CB THR A 14 22.762 4.956 7.411 1.00 1.00 C ATOM 207 OG1 THR A 14 24.019 4.436 6.999 1.00 1.00 O ATOM 208 CG2 THR A 14 21.814 3.801 7.748 1.00 1.00 C ATOM 0 H THR A 14 23.533 7.361 6.656 1.00 1.00 H new ATOM 0 HA THR A 14 21.963 5.161 5.420 1.00 1.00 H new ATOM 0 HB THR A 14 22.895 5.578 8.296 1.00 1.00 H new ATOM 0 HG1 THR A 14 24.403 3.897 7.722 1.00 1.00 H new ATOM 0 HG21 THR A 14 22.240 3.204 8.554 1.00 1.00 H new ATOM 0 HG22 THR A 14 20.850 4.201 8.063 1.00 1.00 H new ATOM 0 HG23 THR A 14 21.676 3.175 6.867 1.00 1.00 H new ATOM 216 N MET A 15 19.753 6.007 6.187 1.00 1.00 N ATOM 217 CA MET A 15 18.443 6.538 6.566 1.00 1.00 C ATOM 218 C MET A 15 17.418 5.416 6.564 1.00 1.00 C ATOM 219 O MET A 15 17.545 4.449 5.812 1.00 1.00 O ATOM 220 CB MET A 15 18.013 7.635 5.591 1.00 1.00 C ATOM 221 CG MET A 15 18.963 8.828 5.713 1.00 1.00 C ATOM 222 SD MET A 15 18.389 10.168 4.643 1.00 1.00 S ATOM 223 CE MET A 15 19.559 11.421 5.218 1.00 1.00 C ATOM 0 H MET A 15 19.722 5.289 5.463 1.00 1.00 H new ATOM 0 HA MET A 15 18.510 6.966 7.566 1.00 1.00 H new ATOM 0 HB2 MET A 15 18.022 7.253 4.570 1.00 1.00 H new ATOM 0 HB3 MET A 15 16.991 7.947 5.806 1.00 1.00 H new ATOM 0 HG2 MET A 15 19.006 9.168 6.748 1.00 1.00 H new ATOM 0 HG3 MET A 15 19.974 8.532 5.432 1.00 1.00 H new ATOM 0 HE1 MET A 15 19.386 12.354 4.682 1.00 1.00 H new ATOM 0 HE2 MET A 15 19.420 11.585 6.287 1.00 1.00 H new ATOM 0 HE3 MET A 15 20.578 11.080 5.033 1.00 1.00 H new ATOM 233 N LYS A 16 16.401 5.549 7.418 1.00 1.00 N ATOM 234 CA LYS A 16 15.340 4.538 7.525 1.00 1.00 C ATOM 235 C LYS A 16 14.068 5.059 6.879 1.00 1.00 C ATOM 236 O LYS A 16 13.635 6.174 7.169 1.00 1.00 O ATOM 237 CB LYS A 16 15.054 4.217 9.002 1.00 1.00 C ATOM 238 CG LYS A 16 14.139 3.000 9.098 1.00 1.00 C ATOM 239 CD LYS A 16 13.919 2.655 10.570 1.00 1.00 C ATOM 240 CE LYS A 16 13.005 1.437 10.667 1.00 1.00 C ATOM 241 NZ LYS A 16 12.794 1.088 12.098 1.00 1.00 N ATOM 0 H LYS A 16 16.287 6.345 8.046 1.00 1.00 H new ATOM 0 HA LYS A 16 15.672 3.633 7.016 1.00 1.00 H new ATOM 0 HB2 LYS A 16 15.988 4.024 9.529 1.00 1.00 H new ATOM 0 HB3 LYS A 16 14.586 5.074 9.486 1.00 1.00 H new ATOM 0 HG2 LYS A 16 13.185 3.208 8.614 1.00 1.00 H new ATOM 0 HG3 LYS A 16 14.584 2.153 8.576 1.00 1.00 H new ATOM 0 HD2 LYS A 16 14.873 2.448 11.054 1.00 1.00 H new ATOM 0 HD3 LYS A 16 13.473 3.502 11.092 1.00 1.00 H new ATOM 0 HE2 LYS A 16 12.049 1.648 10.188 1.00 1.00 H new ATOM 0 HE3 LYS A 16 13.448 0.594 10.137 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 12.171 0.258 12.165 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 13.709 0.870 12.541 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 12.354 1.892 12.590 1.00 1.00 H new ATOM 255 N VAL A 17 13.459 4.241 6.016 1.00 1.00 N ATOM 256 CA VAL A 17 12.214 4.625 5.344 1.00 1.00 C ATOM 257 C VAL A 17 11.057 3.835 5.935 1.00 1.00 C ATOM 258 O VAL A 17 10.992 2.616 5.789 1.00 1.00 O ATOM 259 CB VAL A 17 12.326 4.339 3.846 1.00 1.00 C ATOM 260 CG1 VAL A 17 11.131 4.935 3.110 1.00 1.00 C ATOM 261 CG2 VAL A 17 13.596 4.979 3.302 1.00 1.00 C ATOM 0 H VAL A 17 13.805 3.314 5.767 1.00 1.00 H new ATOM 0 HA VAL A 17 12.036 5.690 5.490 1.00 1.00 H new ATOM 0 HB VAL A 17 12.351 3.260 3.695 1.00 1.00 H new ATOM 0 HG11 VAL A 17 11.219 4.726 2.044 1.00 1.00 H new ATOM 0 HG12 VAL A 17 10.211 4.492 3.491 1.00 1.00 H new ATOM 0 HG13 VAL A 17 11.107 6.013 3.268 1.00 1.00 H new ATOM 0 HG21 VAL A 17 13.677 4.776 2.234 1.00 1.00 H new ATOM 0 HG22 VAL A 17 13.559 6.056 3.465 1.00 1.00 H new ATOM 0 HG23 VAL A 17 14.462 4.564 3.817 1.00 1.00 H new ATOM 271 N SER A 18 10.145 4.537 6.608 1.00 1.00 N ATOM 272 CA SER A 18 8.981 3.906 7.228 1.00 1.00 C ATOM 273 C SER A 18 7.804 3.919 6.253 1.00 1.00 C ATOM 274 O SER A 18 7.474 4.960 5.686 1.00 1.00 O ATOM 275 CB SER A 18 8.625 4.678 8.505 1.00 1.00 C ATOM 276 OG SER A 18 9.822 5.037 9.177 1.00 1.00 O ATOM 0 H SER A 18 10.191 5.548 6.738 1.00 1.00 H new ATOM 0 HA SER A 18 9.207 2.870 7.480 1.00 1.00 H new ATOM 0 HB2 SER A 18 8.050 5.570 8.257 1.00 1.00 H new ATOM 0 HB3 SER A 18 7.999 4.065 9.153 1.00 1.00 H new ATOM 0 HG SER A 18 9.603 5.532 9.994 1.00 1.00 H new ATOM 282 N LEU A 19 7.199 2.753 6.044 1.00 1.00 N ATOM 283 CA LEU A 19 6.083 2.600 5.123 1.00 1.00 C ATOM 284 C LEU A 19 5.327 1.311 5.407 1.00 1.00 C ATOM 285 O LEU A 19 5.905 0.331 5.866 1.00 1.00 O ATOM 286 CB LEU A 19 6.590 2.590 3.674 1.00 1.00 C ATOM 287 CG LEU A 19 7.539 1.393 3.408 1.00 1.00 C ATOM 288 CD1 LEU A 19 7.851 1.326 1.904 1.00 1.00 C ATOM 289 CD2 LEU A 19 8.852 1.535 4.210 1.00 1.00 C ATOM 0 H LEU A 19 7.471 1.888 6.511 1.00 1.00 H new ATOM 0 HA LEU A 19 5.407 3.443 5.263 1.00 1.00 H new ATOM 0 HB2 LEU A 19 5.741 2.541 2.992 1.00 1.00 H new ATOM 0 HB3 LEU A 19 7.113 3.523 3.465 1.00 1.00 H new ATOM 0 HG LEU A 19 7.046 0.476 3.730 1.00 1.00 H new ATOM 0 HD11 LEU A 19 8.518 0.487 1.708 1.00 1.00 H new ATOM 0 HD12 LEU A 19 6.924 1.191 1.346 1.00 1.00 H new ATOM 0 HD13 LEU A 19 8.332 2.253 1.591 1.00 1.00 H new ATOM 0 HD21 LEU A 19 9.498 0.682 4.004 1.00 1.00 H new ATOM 0 HD22 LEU A 19 9.360 2.454 3.917 1.00 1.00 H new ATOM 0 HD23 LEU A 19 8.625 1.570 5.276 1.00 1.00 H new ATOM 301 N SER A 20 4.030 1.315 5.126 1.00 1.00 N ATOM 302 CA SER A 20 3.198 0.137 5.351 1.00 1.00 C ATOM 303 C SER A 20 3.228 -0.787 4.139 1.00 1.00 C ATOM 304 O SER A 20 2.296 -0.801 3.335 1.00 1.00 O ATOM 305 CB SER A 20 1.762 0.571 5.612 1.00 1.00 C ATOM 306 OG SER A 20 0.953 -0.582 5.792 1.00 1.00 O ATOM 0 H SER A 20 3.531 2.118 4.743 1.00 1.00 H new ATOM 0 HA SER A 20 3.590 -0.402 6.214 1.00 1.00 H new ATOM 0 HB2 SER A 20 1.716 1.205 6.498 1.00 1.00 H new ATOM 0 HB3 SER A 20 1.391 1.164 4.776 1.00 1.00 H new ATOM 0 HG SER A 20 0.027 -0.309 5.962 1.00 1.00 H new ATOM 312 N GLU A 21 4.303 -1.562 4.012 1.00 1.00 N ATOM 313 CA GLU A 21 4.438 -2.491 2.892 1.00 1.00 C ATOM 314 C GLU A 21 3.570 -3.738 3.130 1.00 1.00 C ATOM 315 O GLU A 21 3.257 -4.072 4.274 1.00 1.00 O ATOM 316 CB GLU A 21 5.928 -2.897 2.725 1.00 1.00 C ATOM 317 CG GLU A 21 6.622 -1.977 1.709 1.00 1.00 C ATOM 318 CD GLU A 21 8.128 -2.202 1.737 1.00 1.00 C ATOM 319 OE1 GLU A 21 8.665 -2.352 2.822 1.00 1.00 O ATOM 320 OE2 GLU A 21 8.722 -2.225 0.673 1.00 1.00 O ATOM 0 H GLU A 21 5.087 -1.566 4.664 1.00 1.00 H new ATOM 0 HA GLU A 21 4.099 -2.001 1.979 1.00 1.00 H new ATOM 0 HB2 GLU A 21 6.438 -2.838 3.687 1.00 1.00 H new ATOM 0 HB3 GLU A 21 5.994 -3.933 2.392 1.00 1.00 H new ATOM 0 HG2 GLU A 21 6.237 -2.172 0.708 1.00 1.00 H new ATOM 0 HG3 GLU A 21 6.398 -0.935 1.939 1.00 1.00 H new ATOM 327 N PRO A 22 3.189 -4.432 2.078 1.00 1.00 N ATOM 328 CA PRO A 22 2.356 -5.667 2.193 1.00 1.00 C ATOM 329 C PRO A 22 3.097 -6.771 2.953 1.00 1.00 C ATOM 330 O PRO A 22 4.304 -6.951 2.790 1.00 1.00 O ATOM 331 CB PRO A 22 2.080 -6.063 0.720 1.00 1.00 C ATOM 332 CG PRO A 22 3.193 -5.428 -0.061 1.00 1.00 C ATOM 333 CD PRO A 22 3.501 -4.121 0.667 1.00 1.00 C ATOM 0 HA PRO A 22 1.438 -5.508 2.758 1.00 1.00 H new ATOM 0 HB2 PRO A 22 2.077 -7.146 0.595 1.00 1.00 H new ATOM 0 HB3 PRO A 22 1.107 -5.701 0.388 1.00 1.00 H new ATOM 0 HG2 PRO A 22 4.069 -6.075 -0.095 1.00 1.00 H new ATOM 0 HG3 PRO A 22 2.894 -5.243 -1.093 1.00 1.00 H new ATOM 0 HD2 PRO A 22 4.543 -3.827 0.541 1.00 1.00 H new ATOM 0 HD3 PRO A 22 2.891 -3.299 0.292 1.00 1.00 H new ATOM 341 N ARG A 23 2.358 -7.510 3.780 1.00 1.00 N ATOM 342 CA ARG A 23 2.935 -8.605 4.569 1.00 1.00 C ATOM 343 C ARG A 23 2.791 -9.916 3.805 1.00 1.00 C ATOM 344 O ARG A 23 2.984 -10.995 4.364 1.00 1.00 O ATOM 345 CB ARG A 23 2.213 -8.698 5.933 1.00 1.00 C ATOM 346 CG ARG A 23 2.803 -7.675 6.915 1.00 1.00 C ATOM 347 CD ARG A 23 2.690 -6.264 6.326 1.00 1.00 C ATOM 348 NE ARG A 23 1.344 -6.049 5.789 1.00 1.00 N ATOM 349 CZ ARG A 23 0.334 -5.684 6.575 1.00 1.00 C ATOM 350 NH1 ARG A 23 0.536 -5.508 7.852 1.00 1.00 N ATOM 351 NH2 ARG A 23 -0.858 -5.509 6.071 1.00 1.00 N ATOM 0 H ARG A 23 1.358 -7.372 3.923 1.00 1.00 H new ATOM 0 HA ARG A 23 3.994 -8.412 4.743 1.00 1.00 H new ATOM 0 HB2 ARG A 23 1.147 -8.514 5.802 1.00 1.00 H new ATOM 0 HB3 ARG A 23 2.315 -9.704 6.339 1.00 1.00 H new ATOM 0 HG2 ARG A 23 2.275 -7.725 7.867 1.00 1.00 H new ATOM 0 HG3 ARG A 23 3.848 -7.912 7.117 1.00 1.00 H new ATOM 0 HD2 ARG A 23 2.906 -5.522 7.095 1.00 1.00 H new ATOM 0 HD3 ARG A 23 3.430 -6.130 5.537 1.00 1.00 H new ATOM 0 HE ARG A 23 1.177 -6.182 4.792 1.00 1.00 H new ATOM 0 HH11 ARG A 23 1.466 -5.650 8.246 1.00 1.00 H new ATOM 0 HH12 ARG A 23 -0.236 -5.228 8.457 1.00 1.00 H new ATOM 0 HH21 ARG A 23 -1.016 -5.652 5.074 1.00 1.00 H new ATOM 0 HH22 ARG A 23 -1.631 -5.229 6.675 1.00 1.00 H new ATOM 365 N GLN A 24 2.443 -9.822 2.527 1.00 1.00 N ATOM 366 CA GLN A 24 2.275 -11.023 1.722 1.00 1.00 C ATOM 367 C GLN A 24 3.564 -11.844 1.734 1.00 1.00 C ATOM 368 O GLN A 24 3.540 -13.045 2.002 1.00 1.00 O ATOM 369 CB GLN A 24 1.916 -10.638 0.278 1.00 1.00 C ATOM 370 CG GLN A 24 1.521 -11.887 -0.524 1.00 1.00 C ATOM 371 CD GLN A 24 0.203 -12.448 -0.001 1.00 1.00 C ATOM 372 OE1 GLN A 24 -0.724 -11.690 0.284 1.00 1.00 O ATOM 373 NE2 GLN A 24 0.068 -13.735 0.159 1.00 1.00 N ATOM 0 H GLN A 24 2.275 -8.945 2.035 1.00 1.00 H new ATOM 0 HA GLN A 24 1.468 -11.622 2.143 1.00 1.00 H new ATOM 0 HB2 GLN A 24 1.093 -9.923 0.279 1.00 1.00 H new ATOM 0 HB3 GLN A 24 2.765 -10.146 -0.196 1.00 1.00 H new ATOM 0 HG2 GLN A 24 1.425 -11.636 -1.580 1.00 1.00 H new ATOM 0 HG3 GLN A 24 2.303 -12.642 -0.446 1.00 1.00 H new ATOM 0 HE21 GLN A 24 0.837 -14.362 -0.078 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -0.807 -14.115 0.521 1.00 1.00 H new ATOM 382 N ASP A 25 4.688 -11.190 1.432 1.00 1.00 N ATOM 383 CA ASP A 25 5.991 -11.866 1.399 1.00 1.00 C ATOM 384 C ASP A 25 7.069 -10.985 2.023 1.00 1.00 C ATOM 385 O ASP A 25 8.037 -10.613 1.360 1.00 1.00 O ATOM 386 CB ASP A 25 6.368 -12.189 -0.052 1.00 1.00 C ATOM 387 CG ASP A 25 5.426 -13.250 -0.616 1.00 1.00 C ATOM 388 OD1 ASP A 25 4.840 -13.974 0.171 1.00 1.00 O ATOM 389 OD2 ASP A 25 5.302 -13.321 -1.827 1.00 1.00 O ATOM 0 H ASP A 25 4.724 -10.196 1.207 1.00 1.00 H new ATOM 0 HA ASP A 25 5.918 -12.789 1.974 1.00 1.00 H new ATOM 0 HB2 ASP A 25 6.315 -11.285 -0.659 1.00 1.00 H new ATOM 0 HB3 ASP A 25 7.397 -12.544 -0.098 1.00 1.00 H new ATOM 394 N ASN A 26 6.892 -10.653 3.300 1.00 1.00 N ATOM 395 CA ASN A 26 7.858 -9.819 4.011 1.00 1.00 C ATOM 396 C ASN A 26 9.132 -10.599 4.288 1.00 1.00 C ATOM 397 O ASN A 26 9.671 -10.557 5.393 1.00 1.00 O ATOM 398 CB ASN A 26 7.257 -9.336 5.330 1.00 1.00 C ATOM 399 CG ASN A 26 6.859 -10.533 6.187 1.00 1.00 C ATOM 400 OD1 ASN A 26 7.711 -11.326 6.585 1.00 1.00 O ATOM 401 ND2 ASN A 26 5.605 -10.715 6.489 1.00 1.00 N ATOM 0 H ASN A 26 6.093 -10.947 3.861 1.00 1.00 H new ATOM 0 HA ASN A 26 8.100 -8.960 3.386 1.00 1.00 H new ATOM 0 HB2 ASN A 26 7.979 -8.719 5.865 1.00 1.00 H new ATOM 0 HB3 ASN A 26 6.386 -8.711 5.136 1.00 1.00 H new ATOM 0 HD21 ASN A 26 5.328 -11.516 7.056 1.00 1.00 H new ATOM 0 HD22 ASN A 26 4.900 -10.056 6.158 1.00 1.00 H new ATOM 408 N SER A 27 9.616 -11.304 3.270 1.00 1.00 N ATOM 409 CA SER A 27 10.838 -12.085 3.392 1.00 1.00 C ATOM 410 C SER A 27 12.042 -11.180 3.179 1.00 1.00 C ATOM 411 O SER A 27 11.905 -10.051 2.708 1.00 1.00 O ATOM 412 CB SER A 27 10.852 -13.207 2.351 1.00 1.00 C ATOM 413 OG SER A 27 12.063 -13.942 2.468 1.00 1.00 O ATOM 0 H SER A 27 9.178 -11.349 2.350 1.00 1.00 H new ATOM 0 HA SER A 27 10.881 -12.524 4.389 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.997 -13.867 2.499 1.00 1.00 H new ATOM 0 HB3 SER A 27 10.762 -12.789 1.348 1.00 1.00 H new ATOM 0 HG SER A 27 12.074 -14.662 1.804 1.00 1.00 H new ATOM 419 N PHE A 28 13.219 -11.682 3.533 1.00 1.00 N ATOM 420 CA PHE A 28 14.464 -10.923 3.386 1.00 1.00 C ATOM 421 C PHE A 28 15.233 -11.391 2.154 1.00 1.00 C ATOM 422 O PHE A 28 15.419 -12.589 1.943 1.00 1.00 O ATOM 423 CB PHE A 28 15.343 -11.125 4.626 1.00 1.00 C ATOM 424 CG PHE A 28 15.649 -12.603 4.805 1.00 1.00 C ATOM 425 CD1 PHE A 28 14.793 -13.409 5.571 1.00 1.00 C ATOM 426 CD2 PHE A 28 16.788 -13.168 4.210 1.00 1.00 C ATOM 427 CE1 PHE A 28 15.075 -14.771 5.740 1.00 1.00 C ATOM 428 CE2 PHE A 28 17.067 -14.531 4.381 1.00 1.00 C ATOM 429 CZ PHE A 28 16.211 -15.331 5.146 1.00 1.00 C ATOM 0 H PHE A 28 13.342 -12.615 3.926 1.00 1.00 H new ATOM 0 HA PHE A 28 14.213 -9.868 3.274 1.00 1.00 H new ATOM 0 HB2 PHE A 28 16.271 -10.562 4.521 1.00 1.00 H new ATOM 0 HB3 PHE A 28 14.835 -10.740 5.510 1.00 1.00 H new ATOM 0 HD1 PHE A 28 13.916 -12.979 6.031 1.00 1.00 H new ATOM 0 HD2 PHE A 28 17.450 -12.552 3.620 1.00 1.00 H new ATOM 0 HE1 PHE A 28 14.414 -15.389 6.330 1.00 1.00 H new ATOM 0 HE2 PHE A 28 17.943 -14.964 3.922 1.00 1.00 H new ATOM 0 HZ PHE A 28 16.427 -16.381 5.278 1.00 1.00 H new ATOM 439 N THR A 29 15.668 -10.433 1.337 1.00 1.00 N ATOM 440 CA THR A 29 16.405 -10.743 0.119 1.00 1.00 C ATOM 441 C THR A 29 17.187 -9.517 -0.323 1.00 1.00 C ATOM 442 O THR A 29 16.607 -8.507 -0.721 1.00 1.00 O ATOM 443 CB THR A 29 15.428 -11.161 -0.988 1.00 1.00 C ATOM 444 OG1 THR A 29 14.546 -12.154 -0.486 1.00 1.00 O ATOM 445 CG2 THR A 29 16.205 -11.721 -2.181 1.00 1.00 C ATOM 0 H THR A 29 15.521 -9.437 1.499 1.00 1.00 H new ATOM 0 HA THR A 29 17.095 -11.564 0.313 1.00 1.00 H new ATOM 0 HB THR A 29 14.855 -10.292 -1.311 1.00 1.00 H new ATOM 0 HG1 THR A 29 14.989 -12.653 0.232 1.00 1.00 H new ATOM 0 HG21 THR A 29 15.506 -12.016 -2.964 1.00 1.00 H new ATOM 0 HG22 THR A 29 16.880 -10.957 -2.566 1.00 1.00 H new ATOM 0 HG23 THR A 29 16.783 -12.589 -1.864 1.00 1.00 H new ATOM 453 N THR A 30 18.511 -9.608 -0.242 1.00 1.00 N ATOM 454 CA THR A 30 19.379 -8.499 -0.627 1.00 1.00 C ATOM 455 C THR A 30 19.844 -8.650 -2.073 1.00 1.00 C ATOM 456 O THR A 30 20.440 -9.660 -2.444 1.00 1.00 O ATOM 457 CB THR A 30 20.594 -8.458 0.302 1.00 1.00 C ATOM 458 OG1 THR A 30 20.163 -8.170 1.623 1.00 1.00 O ATOM 459 CG2 THR A 30 21.581 -7.374 -0.162 1.00 1.00 C ATOM 0 H THR A 30 19.006 -10.437 0.086 1.00 1.00 H new ATOM 0 HA THR A 30 18.816 -7.570 -0.542 1.00 1.00 H new ATOM 0 HB THR A 30 21.095 -9.426 0.278 1.00 1.00 H new ATOM 0 HG1 THR A 30 20.808 -7.572 2.054 1.00 1.00 H new ATOM 0 HG21 THR A 30 22.441 -7.355 0.507 1.00 1.00 H new ATOM 0 HG22 THR A 30 21.915 -7.596 -1.176 1.00 1.00 H new ATOM 0 HG23 THR A 30 21.088 -6.402 -0.147 1.00 1.00 H new ATOM 467 N TYR A 31 19.572 -7.624 -2.878 1.00 1.00 N ATOM 468 CA TYR A 31 19.963 -7.610 -4.295 1.00 1.00 C ATOM 469 C TYR A 31 20.439 -6.217 -4.696 1.00 1.00 C ATOM 470 O TYR A 31 20.273 -5.247 -3.956 1.00 1.00 O ATOM 471 CB TYR A 31 18.770 -8.062 -5.183 1.00 1.00 C ATOM 472 CG TYR A 31 17.455 -7.727 -4.492 1.00 1.00 C ATOM 473 CD1 TYR A 31 17.197 -6.409 -4.078 1.00 1.00 C ATOM 474 CD2 TYR A 31 16.502 -8.730 -4.247 1.00 1.00 C ATOM 475 CE1 TYR A 31 16.000 -6.102 -3.429 1.00 1.00 C ATOM 476 CE2 TYR A 31 15.305 -8.415 -3.600 1.00 1.00 C ATOM 477 CZ TYR A 31 15.054 -7.103 -3.190 1.00 1.00 C ATOM 478 OH TYR A 31 13.873 -6.798 -2.550 1.00 1.00 O ATOM 0 H TYR A 31 19.079 -6.784 -2.574 1.00 1.00 H new ATOM 0 HA TYR A 31 20.786 -8.309 -4.443 1.00 1.00 H new ATOM 0 HB2 TYR A 31 18.818 -7.566 -6.152 1.00 1.00 H new ATOM 0 HB3 TYR A 31 18.830 -9.134 -5.370 1.00 1.00 H new ATOM 0 HD1 TYR A 31 17.925 -5.633 -4.262 1.00 1.00 H new ATOM 0 HD2 TYR A 31 16.695 -9.746 -4.559 1.00 1.00 H new ATOM 0 HE1 TYR A 31 15.804 -5.089 -3.111 1.00 1.00 H new ATOM 0 HE2 TYR A 31 14.572 -9.187 -3.416 1.00 1.00 H new ATOM 0 HH TYR A 31 13.328 -7.608 -2.465 1.00 1.00 H new ATOM 488 N THR A 32 20.998 -6.131 -5.893 1.00 1.00 N ATOM 489 CA THR A 32 21.461 -4.857 -6.419 1.00 1.00 C ATOM 490 C THR A 32 21.857 -5.001 -7.884 1.00 1.00 C ATOM 491 O THR A 32 22.841 -5.659 -8.205 1.00 1.00 O ATOM 492 CB THR A 32 22.671 -4.373 -5.603 1.00 1.00 C ATOM 493 OG1 THR A 32 23.405 -3.430 -6.369 1.00 1.00 O ATOM 494 CG2 THR A 32 23.577 -5.559 -5.237 1.00 1.00 C ATOM 0 H THR A 32 21.142 -6.925 -6.516 1.00 1.00 H new ATOM 0 HA THR A 32 20.653 -4.129 -6.343 1.00 1.00 H new ATOM 0 HB THR A 32 22.318 -3.906 -4.683 1.00 1.00 H new ATOM 0 HG1 THR A 32 24.177 -3.118 -5.852 1.00 1.00 H new ATOM 0 HG21 THR A 32 24.429 -5.201 -4.660 1.00 1.00 H new ATOM 0 HG22 THR A 32 23.013 -6.278 -4.643 1.00 1.00 H new ATOM 0 HG23 THR A 32 23.932 -6.040 -6.148 1.00 1.00 H new ATOM 502 N ALA A 33 21.101 -4.358 -8.774 1.00 1.00 N ATOM 503 CA ALA A 33 21.408 -4.401 -10.205 1.00 1.00 C ATOM 504 C ALA A 33 20.228 -3.861 -11.014 1.00 1.00 C ATOM 505 O ALA A 33 19.084 -4.258 -10.790 1.00 1.00 O ATOM 506 CB ALA A 33 21.749 -5.850 -10.653 1.00 1.00 C ATOM 0 H ALA A 33 20.278 -3.805 -8.533 1.00 1.00 H new ATOM 0 HA ALA A 33 22.279 -3.772 -10.388 1.00 1.00 H new ATOM 0 HB1 ALA A 33 21.974 -5.858 -11.720 1.00 1.00 H new ATOM 0 HB2 ALA A 33 22.615 -6.208 -10.097 1.00 1.00 H new ATOM 0 HB3 ALA A 33 20.897 -6.501 -10.457 1.00 1.00 H new ATOM 512 N ALA A 34 20.513 -2.992 -11.985 1.00 1.00 N ATOM 513 CA ALA A 34 19.467 -2.453 -12.852 1.00 1.00 C ATOM 514 C ALA A 34 19.153 -3.437 -13.972 1.00 1.00 C ATOM 515 O ALA A 34 19.981 -3.682 -14.847 1.00 1.00 O ATOM 516 CB ALA A 34 19.917 -1.123 -13.449 1.00 1.00 C ATOM 0 H ALA A 34 21.452 -2.649 -12.189 1.00 1.00 H new ATOM 0 HA ALA A 34 18.568 -2.293 -12.256 1.00 1.00 H new ATOM 0 HB1 ALA A 34 19.131 -0.729 -14.094 1.00 1.00 H new ATOM 0 HB2 ALA A 34 20.118 -0.413 -12.646 1.00 1.00 H new ATOM 0 HB3 ALA A 34 20.824 -1.275 -14.034 1.00 1.00 H new ATOM 522 N GLN A 35 17.939 -3.995 -13.942 1.00 1.00 N ATOM 523 CA GLN A 35 17.502 -4.956 -14.959 1.00 1.00 C ATOM 524 C GLN A 35 16.008 -4.803 -15.226 1.00 1.00 C ATOM 525 O GLN A 35 15.243 -4.412 -14.347 1.00 1.00 O ATOM 526 CB GLN A 35 17.800 -6.399 -14.498 1.00 1.00 C ATOM 527 CG GLN A 35 19.316 -6.655 -14.435 1.00 1.00 C ATOM 528 CD GLN A 35 19.924 -6.547 -15.830 1.00 1.00 C ATOM 529 OE1 GLN A 35 19.457 -7.203 -16.760 1.00 1.00 O ATOM 530 NE2 GLN A 35 20.936 -5.749 -16.037 1.00 1.00 N ATOM 0 H GLN A 35 17.241 -3.798 -13.224 1.00 1.00 H new ATOM 0 HA GLN A 35 18.051 -4.755 -15.879 1.00 1.00 H new ATOM 0 HB2 GLN A 35 17.358 -6.570 -13.517 1.00 1.00 H new ATOM 0 HB3 GLN A 35 17.336 -7.107 -15.185 1.00 1.00 H new ATOM 0 HG2 GLN A 35 19.787 -5.933 -13.768 1.00 1.00 H new ATOM 0 HG3 GLN A 35 19.509 -7.645 -14.021 1.00 1.00 H new ATOM 0 HE21 GLN A 35 21.323 -5.205 -15.266 1.00 1.00 H new ATOM 0 HE22 GLN A 35 21.340 -5.669 -16.970 1.00 1.00 H new ATOM 539 N GLU A 36 15.605 -5.099 -16.454 1.00 1.00 N ATOM 540 CA GLU A 36 14.206 -4.987 -16.839 1.00 1.00 C ATOM 541 C GLU A 36 13.370 -6.050 -16.150 1.00 1.00 C ATOM 542 O GLU A 36 13.774 -7.210 -16.049 1.00 1.00 O ATOM 543 CB GLU A 36 14.071 -5.146 -18.358 1.00 1.00 C ATOM 544 CG GLU A 36 14.759 -3.977 -19.067 1.00 1.00 C ATOM 545 CD GLU A 36 13.971 -2.684 -18.860 1.00 1.00 C ATOM 546 OE1 GLU A 36 12.862 -2.757 -18.359 1.00 1.00 O ATOM 547 OE2 GLU A 36 14.487 -1.638 -19.221 1.00 1.00 O ATOM 0 H GLU A 36 16.225 -5.418 -17.198 1.00 1.00 H new ATOM 0 HA GLU A 36 13.846 -4.004 -16.535 1.00 1.00 H new ATOM 0 HB2 GLU A 36 14.517 -6.089 -18.675 1.00 1.00 H new ATOM 0 HB3 GLU A 36 13.018 -5.183 -18.636 1.00 1.00 H new ATOM 0 HG2 GLU A 36 15.772 -3.857 -18.683 1.00 1.00 H new ATOM 0 HG3 GLU A 36 14.845 -4.190 -20.132 1.00 1.00 H new ATOM 554 N GLY A 37 12.190 -5.648 -15.690 1.00 1.00 N ATOM 555 CA GLY A 37 11.278 -6.564 -15.019 1.00 1.00 C ATOM 556 C GLY A 37 11.545 -6.597 -13.525 1.00 1.00 C ATOM 557 O GLY A 37 10.736 -7.109 -12.754 1.00 1.00 O ATOM 0 H GLY A 37 11.843 -4.692 -15.770 1.00 1.00 H new ATOM 0 HA2 GLY A 37 10.248 -6.257 -15.202 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.391 -7.565 -15.435 1.00 1.00 H new ATOM 561 N GLN A 38 12.692 -6.054 -13.114 1.00 1.00 N ATOM 562 CA GLN A 38 13.056 -6.043 -11.696 1.00 1.00 C ATOM 563 C GLN A 38 12.565 -4.753 -11.012 1.00 1.00 C ATOM 564 O GLN A 38 12.464 -3.710 -11.659 1.00 1.00 O ATOM 565 CB GLN A 38 14.591 -6.169 -11.545 1.00 1.00 C ATOM 566 CG GLN A 38 15.020 -7.638 -11.708 1.00 1.00 C ATOM 567 CD GLN A 38 14.603 -8.446 -10.480 1.00 1.00 C ATOM 568 OE1 GLN A 38 15.265 -8.387 -9.444 1.00 1.00 O ATOM 569 NE2 GLN A 38 13.532 -9.191 -10.530 1.00 1.00 N ATOM 0 H GLN A 38 13.377 -5.621 -13.733 1.00 1.00 H new ATOM 0 HA GLN A 38 12.574 -6.892 -11.212 1.00 1.00 H new ATOM 0 HB2 GLN A 38 15.090 -5.551 -12.292 1.00 1.00 H new ATOM 0 HB3 GLN A 38 14.900 -5.798 -10.568 1.00 1.00 H new ATOM 0 HG2 GLN A 38 14.564 -8.061 -12.603 1.00 1.00 H new ATOM 0 HG3 GLN A 38 16.100 -7.697 -11.842 1.00 1.00 H new ATOM 0 HE21 GLN A 38 12.984 -9.239 -11.389 1.00 1.00 H new ATOM 0 HE22 GLN A 38 13.243 -9.725 -9.710 1.00 1.00 H new ATOM 578 N PRO A 39 12.280 -4.800 -9.720 1.00 1.00 N ATOM 579 CA PRO A 39 11.824 -3.604 -8.952 1.00 1.00 C ATOM 580 C PRO A 39 12.553 -2.321 -9.367 1.00 1.00 C ATOM 581 O PRO A 39 13.770 -2.205 -9.218 1.00 1.00 O ATOM 582 CB PRO A 39 12.154 -3.978 -7.493 1.00 1.00 C ATOM 583 CG PRO A 39 12.061 -5.480 -7.431 1.00 1.00 C ATOM 584 CD PRO A 39 12.347 -6.002 -8.854 1.00 1.00 C ATOM 0 HA PRO A 39 10.770 -3.385 -9.123 1.00 1.00 H new ATOM 0 HB2 PRO A 39 13.151 -3.635 -7.216 1.00 1.00 H new ATOM 0 HB3 PRO A 39 11.453 -3.513 -6.800 1.00 1.00 H new ATOM 0 HG2 PRO A 39 12.781 -5.883 -6.719 1.00 1.00 H new ATOM 0 HG3 PRO A 39 11.072 -5.793 -7.096 1.00 1.00 H new ATOM 0 HD2 PRO A 39 13.327 -6.477 -8.912 1.00 1.00 H new ATOM 0 HD3 PRO A 39 11.613 -6.749 -9.156 1.00 1.00 H new ATOM 592 N GLU A 40 11.794 -1.363 -9.881 1.00 1.00 N ATOM 593 CA GLU A 40 12.364 -0.091 -10.304 1.00 1.00 C ATOM 594 C GLU A 40 12.944 0.643 -9.103 1.00 1.00 C ATOM 595 O GLU A 40 13.817 1.497 -9.244 1.00 1.00 O ATOM 596 CB GLU A 40 11.286 0.779 -10.970 1.00 1.00 C ATOM 597 CG GLU A 40 10.873 0.165 -12.317 1.00 1.00 C ATOM 598 CD GLU A 40 10.075 -1.119 -12.095 1.00 1.00 C ATOM 599 OE1 GLU A 40 9.497 -1.261 -11.031 1.00 1.00 O ATOM 600 OE2 GLU A 40 10.059 -1.944 -12.994 1.00 1.00 O ATOM 0 H GLU A 40 10.786 -1.442 -10.015 1.00 1.00 H new ATOM 0 HA GLU A 40 13.158 -0.286 -11.025 1.00 1.00 H new ATOM 0 HB2 GLU A 40 10.417 0.860 -10.316 1.00 1.00 H new ATOM 0 HB3 GLU A 40 11.665 1.789 -11.123 1.00 1.00 H new ATOM 0 HG2 GLU A 40 10.274 0.880 -12.881 1.00 1.00 H new ATOM 0 HG3 GLU A 40 11.760 -0.049 -12.913 1.00 1.00 H new ATOM 607 N PHE A 41 12.445 0.309 -7.919 1.00 1.00 N ATOM 608 CA PHE A 41 12.913 0.948 -6.699 1.00 1.00 C ATOM 609 C PHE A 41 14.347 0.534 -6.388 1.00 1.00 C ATOM 610 O PHE A 41 14.962 1.077 -5.477 1.00 1.00 O ATOM 611 CB PHE A 41 11.986 0.582 -5.531 1.00 1.00 C ATOM 612 CG PHE A 41 12.592 1.061 -4.217 1.00 1.00 C ATOM 613 CD1 PHE A 41 12.831 2.429 -4.020 1.00 1.00 C ATOM 614 CD2 PHE A 41 12.937 0.141 -3.217 1.00 1.00 C ATOM 615 CE1 PHE A 41 13.408 2.874 -2.824 1.00 1.00 C ATOM 616 CE2 PHE A 41 13.516 0.587 -2.024 1.00 1.00 C ATOM 617 CZ PHE A 41 13.751 1.954 -1.827 1.00 1.00 C ATOM 0 H PHE A 41 11.721 -0.396 -7.780 1.00 1.00 H new ATOM 0 HA PHE A 41 12.896 2.028 -6.842 1.00 1.00 H new ATOM 0 HB2 PHE A 41 11.006 1.037 -5.677 1.00 1.00 H new ATOM 0 HB3 PHE A 41 11.835 -0.497 -5.500 1.00 1.00 H new ATOM 0 HD1 PHE A 41 12.570 3.139 -4.791 1.00 1.00 H new ATOM 0 HD2 PHE A 41 12.756 -0.913 -3.368 1.00 1.00 H new ATOM 0 HE1 PHE A 41 13.588 3.928 -2.671 1.00 1.00 H new ATOM 0 HE2 PHE A 41 13.782 -0.123 -1.255 1.00 1.00 H new ATOM 0 HZ PHE A 41 14.197 2.298 -0.905 1.00 1.00 H new ATOM 627 N ILE A 42 14.866 -0.440 -7.135 1.00 1.00 N ATOM 628 CA ILE A 42 16.236 -0.933 -6.935 1.00 1.00 C ATOM 629 C ILE A 42 17.092 -0.542 -8.127 1.00 1.00 C ATOM 630 O ILE A 42 18.259 -0.188 -7.983 1.00 1.00 O ATOM 631 CB ILE A 42 16.213 -2.480 -6.770 1.00 1.00 C ATOM 632 CG1 ILE A 42 15.950 -2.841 -5.297 1.00 1.00 C ATOM 633 CG2 ILE A 42 17.563 -3.114 -7.199 1.00 1.00 C ATOM 634 CD1 ILE A 42 14.666 -2.187 -4.770 1.00 1.00 C ATOM 0 H ILE A 42 14.360 -0.907 -7.887 1.00 1.00 H new ATOM 0 HA ILE A 42 16.660 -0.489 -6.034 1.00 1.00 H new ATOM 0 HB ILE A 42 15.420 -2.870 -7.408 1.00 1.00 H new ATOM 0 HG12 ILE A 42 15.874 -3.924 -5.196 1.00 1.00 H new ATOM 0 HG13 ILE A 42 16.796 -2.523 -4.688 1.00 1.00 H new ATOM 0 HG21 ILE A 42 17.514 -4.195 -7.072 1.00 1.00 H new ATOM 0 HG22 ILE A 42 17.758 -2.880 -8.246 1.00 1.00 H new ATOM 0 HG23 ILE A 42 18.366 -2.712 -6.582 1.00 1.00 H new ATOM 0 HD11 ILE A 42 14.517 -2.467 -3.727 1.00 1.00 H new ATOM 0 HD12 ILE A 42 14.752 -1.103 -4.846 1.00 1.00 H new ATOM 0 HD13 ILE A 42 13.816 -2.526 -5.362 1.00 1.00 H new ATOM 646 N ASN A 43 16.527 -0.660 -9.309 1.00 1.00 N ATOM 647 CA ASN A 43 17.279 -0.360 -10.511 1.00 1.00 C ATOM 648 C ASN A 43 17.690 1.102 -10.549 1.00 1.00 C ATOM 649 O ASN A 43 18.802 1.429 -10.952 1.00 1.00 O ATOM 650 CB ASN A 43 16.447 -0.689 -11.751 1.00 1.00 C ATOM 651 CG ASN A 43 15.999 -2.149 -11.715 1.00 1.00 C ATOM 652 OD1 ASN A 43 16.543 -2.950 -10.955 1.00 1.00 O ATOM 653 ND2 ASN A 43 15.036 -2.542 -12.502 1.00 1.00 N ATOM 0 H ASN A 43 15.564 -0.957 -9.465 1.00 1.00 H new ATOM 0 HA ASN A 43 18.180 -0.974 -10.504 1.00 1.00 H new ATOM 0 HB2 ASN A 43 15.576 -0.035 -11.797 1.00 1.00 H new ATOM 0 HB3 ASN A 43 17.033 -0.503 -12.651 1.00 1.00 H new ATOM 0 HD21 ASN A 43 14.732 -3.515 -12.489 1.00 1.00 H new ATOM 0 HD22 ASN A 43 14.587 -1.876 -13.131 1.00 1.00 H new ATOM 660 N ARG A 44 16.785 1.973 -10.129 1.00 1.00 N ATOM 661 CA ARG A 44 17.058 3.403 -10.124 1.00 1.00 C ATOM 662 C ARG A 44 18.238 3.720 -9.217 1.00 1.00 C ATOM 663 O ARG A 44 18.986 4.660 -9.461 1.00 1.00 O ATOM 664 CB ARG A 44 15.803 4.145 -9.660 1.00 1.00 C ATOM 665 CG ARG A 44 14.716 4.020 -10.732 1.00 1.00 C ATOM 666 CD ARG A 44 13.418 4.597 -10.195 1.00 1.00 C ATOM 667 NE ARG A 44 12.353 4.470 -11.189 1.00 1.00 N ATOM 668 CZ ARG A 44 12.212 5.351 -12.176 1.00 1.00 C ATOM 669 NH1 ARG A 44 13.033 6.361 -12.268 1.00 1.00 N ATOM 670 NH2 ARG A 44 11.254 5.206 -13.051 1.00 1.00 N ATOM 0 H ARG A 44 15.858 1.717 -9.788 1.00 1.00 H new ATOM 0 HA ARG A 44 17.319 3.728 -11.131 1.00 1.00 H new ATOM 0 HB2 ARG A 44 15.449 3.730 -8.716 1.00 1.00 H new ATOM 0 HB3 ARG A 44 16.033 5.195 -9.480 1.00 1.00 H new ATOM 0 HG2 ARG A 44 15.017 4.550 -11.636 1.00 1.00 H new ATOM 0 HG3 ARG A 44 14.577 2.974 -11.006 1.00 1.00 H new ATOM 0 HD2 ARG A 44 13.133 4.078 -9.280 1.00 1.00 H new ATOM 0 HD3 ARG A 44 13.559 5.646 -9.936 1.00 1.00 H new ATOM 0 HE ARG A 44 11.702 3.687 -11.124 1.00 1.00 H new ATOM 0 HH11 ARG A 44 13.781 6.474 -11.584 1.00 1.00 H new ATOM 0 HH12 ARG A 44 12.927 7.037 -13.024 1.00 1.00 H new ATOM 0 HH21 ARG A 44 10.612 4.416 -12.979 1.00 1.00 H new ATOM 0 HH22 ARG A 44 11.147 5.882 -13.807 1.00 1.00 H new ATOM 684 N LEU A 45 18.383 2.953 -8.151 1.00 1.00 N ATOM 685 CA LEU A 45 19.466 3.181 -7.204 1.00 1.00 C ATOM 686 C LEU A 45 20.820 2.920 -7.858 1.00 1.00 C ATOM 687 O LEU A 45 21.787 3.619 -7.584 1.00 1.00 O ATOM 688 CB LEU A 45 19.290 2.270 -5.979 1.00 1.00 C ATOM 689 CG LEU A 45 18.210 2.834 -5.045 1.00 1.00 C ATOM 690 CD1 LEU A 45 16.902 3.067 -5.824 1.00 1.00 C ATOM 691 CD2 LEU A 45 17.970 1.842 -3.899 1.00 1.00 C ATOM 0 H LEU A 45 17.770 2.171 -7.918 1.00 1.00 H new ATOM 0 HA LEU A 45 19.433 4.223 -6.885 1.00 1.00 H new ATOM 0 HB2 LEU A 45 19.014 1.266 -6.301 1.00 1.00 H new ATOM 0 HB3 LEU A 45 20.235 2.184 -5.443 1.00 1.00 H new ATOM 0 HG LEU A 45 18.544 3.788 -4.638 1.00 1.00 H new ATOM 0 HD11 LEU A 45 16.144 3.467 -5.151 1.00 1.00 H new ATOM 0 HD12 LEU A 45 17.081 3.777 -6.632 1.00 1.00 H new ATOM 0 HD13 LEU A 45 16.554 2.122 -6.242 1.00 1.00 H new ATOM 0 HD21 LEU A 45 17.204 2.236 -3.231 1.00 1.00 H new ATOM 0 HD22 LEU A 45 17.639 0.887 -4.308 1.00 1.00 H new ATOM 0 HD23 LEU A 45 18.896 1.697 -3.343 1.00 1.00 H new ATOM 703 N PHE A 46 20.910 1.890 -8.691 1.00 1.00 N ATOM 704 CA PHE A 46 22.173 1.571 -9.320 1.00 1.00 C ATOM 705 C PHE A 46 22.574 2.649 -10.323 1.00 1.00 C ATOM 706 O PHE A 46 23.742 2.749 -10.696 1.00 1.00 O ATOM 707 CB PHE A 46 22.038 0.232 -10.031 1.00 1.00 C ATOM 708 CG PHE A 46 23.384 -0.194 -10.574 1.00 1.00 C ATOM 709 CD1 PHE A 46 24.394 -0.565 -9.679 1.00 1.00 C ATOM 710 CD2 PHE A 46 23.627 -0.221 -11.957 1.00 1.00 C ATOM 711 CE1 PHE A 46 25.643 -0.965 -10.162 1.00 1.00 C ATOM 712 CE2 PHE A 46 24.879 -0.621 -12.438 1.00 1.00 C ATOM 713 CZ PHE A 46 25.887 -0.993 -11.540 1.00 1.00 C ATOM 0 H PHE A 46 20.135 1.275 -8.940 1.00 1.00 H new ATOM 0 HA PHE A 46 22.948 1.519 -8.555 1.00 1.00 H new ATOM 0 HB2 PHE A 46 21.659 -0.521 -9.340 1.00 1.00 H new ATOM 0 HB3 PHE A 46 21.316 0.312 -10.844 1.00 1.00 H new ATOM 0 HD1 PHE A 46 24.208 -0.542 -8.615 1.00 1.00 H new ATOM 0 HD2 PHE A 46 22.849 0.067 -12.648 1.00 1.00 H new ATOM 0 HE1 PHE A 46 26.421 -1.253 -9.471 1.00 1.00 H new ATOM 0 HE2 PHE A 46 25.068 -0.643 -13.501 1.00 1.00 H new ATOM 0 HZ PHE A 46 26.853 -1.302 -11.911 1.00 1.00 H new ATOM 723 N GLU A 47 21.605 3.440 -10.780 1.00 1.00 N ATOM 724 CA GLU A 47 21.884 4.484 -11.764 1.00 1.00 C ATOM 725 C GLU A 47 22.900 5.489 -11.243 1.00 1.00 C ATOM 726 O GLU A 47 23.576 6.153 -12.030 1.00 1.00 O ATOM 727 CB GLU A 47 20.589 5.225 -12.114 1.00 1.00 C ATOM 728 CG GLU A 47 19.589 4.256 -12.755 1.00 1.00 C ATOM 729 CD GLU A 47 20.091 3.814 -14.127 1.00 1.00 C ATOM 730 OE1 GLU A 47 20.935 4.502 -14.676 1.00 1.00 O ATOM 731 OE2 GLU A 47 19.625 2.795 -14.606 1.00 1.00 O ATOM 0 H GLU A 47 20.629 3.379 -10.488 1.00 1.00 H new ATOM 0 HA GLU A 47 22.298 4.001 -12.649 1.00 1.00 H new ATOM 0 HB2 GLU A 47 20.157 5.665 -11.215 1.00 1.00 H new ATOM 0 HB3 GLU A 47 20.803 6.046 -12.799 1.00 1.00 H new ATOM 0 HG2 GLU A 47 19.451 3.386 -12.112 1.00 1.00 H new ATOM 0 HG3 GLU A 47 18.616 4.738 -12.853 1.00 1.00 H new ATOM 738 N ILE A 48 23.008 5.600 -9.917 1.00 1.00 N ATOM 739 CA ILE A 48 23.949 6.532 -9.284 1.00 1.00 C ATOM 740 C ILE A 48 24.887 5.777 -8.354 1.00 1.00 C ATOM 741 O ILE A 48 24.473 4.850 -7.659 1.00 1.00 O ATOM 742 CB ILE A 48 23.169 7.599 -8.492 1.00 1.00 C ATOM 743 CG1 ILE A 48 22.389 6.945 -7.300 1.00 1.00 C ATOM 744 CG2 ILE A 48 22.191 8.301 -9.450 1.00 1.00 C ATOM 745 CD1 ILE A 48 23.134 7.161 -5.976 1.00 1.00 C ATOM 0 H ILE A 48 22.454 5.054 -9.257 1.00 1.00 H new ATOM 0 HA ILE A 48 24.541 7.021 -10.058 1.00 1.00 H new ATOM 0 HB ILE A 48 23.866 8.325 -8.074 1.00 1.00 H new ATOM 0 HG12 ILE A 48 21.390 7.375 -7.234 1.00 1.00 H new ATOM 0 HG13 ILE A 48 22.265 5.878 -7.483 1.00 1.00 H new ATOM 0 HG21 ILE A 48 21.630 9.060 -8.905 1.00 1.00 H new ATOM 0 HG22 ILE A 48 22.749 8.773 -10.259 1.00 1.00 H new ATOM 0 HG23 ILE A 48 21.500 7.568 -9.866 1.00 1.00 H new ATOM 0 HD11 ILE A 48 22.574 6.698 -5.164 1.00 1.00 H new ATOM 0 HD12 ILE A 48 24.124 6.709 -6.038 1.00 1.00 H new ATOM 0 HD13 ILE A 48 23.234 8.229 -5.785 1.00 1.00 H new ATOM 757 N GLU A 49 26.148 6.189 -8.334 1.00 1.00 N ATOM 758 CA GLU A 49 27.137 5.556 -7.471 1.00 1.00 C ATOM 759 C GLU A 49 26.827 5.827 -6.004 1.00 1.00 C ATOM 760 O GLU A 49 26.474 6.946 -5.635 1.00 1.00 O ATOM 761 CB GLU A 49 28.529 6.099 -7.807 1.00 1.00 C ATOM 762 CG GLU A 49 28.610 7.604 -7.475 1.00 1.00 C ATOM 763 CD GLU A 49 29.898 8.191 -8.047 1.00 1.00 C ATOM 764 OE1 GLU A 49 30.273 7.791 -9.138 1.00 1.00 O ATOM 765 OE2 GLU A 49 30.489 9.030 -7.388 1.00 1.00 O ATOM 0 H GLU A 49 26.509 6.955 -8.903 1.00 1.00 H new ATOM 0 HA GLU A 49 27.107 4.479 -7.639 1.00 1.00 H new ATOM 0 HB2 GLU A 49 29.286 5.554 -7.243 1.00 1.00 H new ATOM 0 HB3 GLU A 49 28.744 5.940 -8.864 1.00 1.00 H new ATOM 0 HG2 GLU A 49 27.747 8.124 -7.890 1.00 1.00 H new ATOM 0 HG3 GLU A 49 28.581 7.750 -6.395 1.00 1.00 H new ATOM 772 N GLY A 50 26.976 4.804 -5.164 1.00 1.00 N ATOM 773 CA GLY A 50 26.722 4.954 -3.729 1.00 1.00 C ATOM 774 C GLY A 50 26.083 3.709 -3.148 1.00 1.00 C ATOM 775 O GLY A 50 26.595 3.129 -2.192 1.00 1.00 O ATOM 0 H GLY A 50 27.269 3.869 -5.447 1.00 1.00 H new ATOM 0 HA2 GLY A 50 27.659 5.159 -3.212 1.00 1.00 H new ATOM 0 HA3 GLY A 50 26.071 5.812 -3.561 1.00 1.00 H new ATOM 779 N VAL A 51 24.960 3.305 -3.724 1.00 1.00 N ATOM 780 CA VAL A 51 24.253 2.135 -3.238 1.00 1.00 C ATOM 781 C VAL A 51 25.124 0.892 -3.351 1.00 1.00 C ATOM 782 O VAL A 51 25.634 0.581 -4.426 1.00 1.00 O ATOM 783 CB VAL A 51 22.966 1.929 -4.054 1.00 1.00 C ATOM 784 CG1 VAL A 51 23.310 1.578 -5.522 1.00 1.00 C ATOM 785 CG2 VAL A 51 22.146 0.794 -3.420 1.00 1.00 C ATOM 0 H VAL A 51 24.524 3.767 -4.522 1.00 1.00 H new ATOM 0 HA VAL A 51 24.005 2.296 -2.189 1.00 1.00 H new ATOM 0 HB VAL A 51 22.383 2.850 -4.048 1.00 1.00 H new ATOM 0 HG11 VAL A 51 22.389 1.435 -6.087 1.00 1.00 H new ATOM 0 HG12 VAL A 51 23.885 2.391 -5.965 1.00 1.00 H new ATOM 0 HG13 VAL A 51 23.898 0.661 -5.549 1.00 1.00 H new ATOM 0 HG21 VAL A 51 21.231 0.642 -3.993 1.00 1.00 H new ATOM 0 HG22 VAL A 51 22.733 -0.124 -3.423 1.00 1.00 H new ATOM 0 HG23 VAL A 51 21.891 1.059 -2.394 1.00 1.00 H new ATOM 795 N LYS A 52 25.282 0.171 -2.239 1.00 1.00 N ATOM 796 CA LYS A 52 26.082 -1.059 -2.224 1.00 1.00 C ATOM 797 C LYS A 52 25.158 -2.269 -2.150 1.00 1.00 C ATOM 798 O LYS A 52 25.480 -3.342 -2.657 1.00 1.00 O ATOM 799 CB LYS A 52 27.020 -1.052 -1.016 1.00 1.00 C ATOM 800 CG LYS A 52 28.046 0.071 -1.177 1.00 1.00 C ATOM 801 CD LYS A 52 29.000 0.067 0.016 1.00 1.00 C ATOM 802 CE LYS A 52 30.023 1.192 -0.143 1.00 1.00 C ATOM 803 NZ LYS A 52 30.920 1.219 1.046 1.00 1.00 N ATOM 0 H LYS A 52 24.869 0.415 -1.339 1.00 1.00 H new ATOM 0 HA LYS A 52 26.675 -1.113 -3.137 1.00 1.00 H new ATOM 0 HB2 LYS A 52 26.449 -0.909 -0.099 1.00 1.00 H new ATOM 0 HB3 LYS A 52 27.527 -2.013 -0.929 1.00 1.00 H new ATOM 0 HG2 LYS A 52 28.605 -0.063 -2.103 1.00 1.00 H new ATOM 0 HG3 LYS A 52 27.539 1.033 -1.247 1.00 1.00 H new ATOM 0 HD2 LYS A 52 28.441 0.198 0.942 1.00 1.00 H new ATOM 0 HD3 LYS A 52 29.509 -0.894 0.084 1.00 1.00 H new ATOM 0 HE2 LYS A 52 30.608 1.040 -1.050 1.00 1.00 H new ATOM 0 HE3 LYS A 52 29.513 2.149 -0.249 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 31.616 1.984 0.938 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 30.355 1.383 1.904 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 31.416 0.309 1.127 1.00 1.00 H new ATOM 817 N SER A 53 24.003 -2.083 -1.516 1.00 1.00 N ATOM 818 CA SER A 53 23.030 -3.161 -1.384 1.00 1.00 C ATOM 819 C SER A 53 21.688 -2.613 -0.912 1.00 1.00 C ATOM 820 O SER A 53 21.614 -1.509 -0.374 1.00 1.00 O ATOM 821 CB SER A 53 23.545 -4.201 -0.393 1.00 1.00 C ATOM 822 OG SER A 53 23.642 -3.612 0.896 1.00 1.00 O ATOM 0 H SER A 53 23.720 -1.201 -1.088 1.00 1.00 H new ATOM 0 HA SER A 53 22.890 -3.629 -2.358 1.00 1.00 H new ATOM 0 HB2 SER A 53 22.872 -5.058 -0.364 1.00 1.00 H new ATOM 0 HB3 SER A 53 24.520 -4.572 -0.711 1.00 1.00 H new ATOM 0 HG SER A 53 22.991 -4.031 1.497 1.00 1.00 H new ATOM 828 N ILE A 54 20.627 -3.398 -1.117 1.00 1.00 N ATOM 829 CA ILE A 54 19.268 -3.006 -0.714 1.00 1.00 C ATOM 830 C ILE A 54 18.666 -4.082 0.169 1.00 1.00 C ATOM 831 O ILE A 54 18.701 -5.259 -0.167 1.00 1.00 O ATOM 832 CB ILE A 54 18.380 -2.797 -1.960 1.00 1.00 C ATOM 833 CG1 ILE A 54 18.968 -1.650 -2.850 1.00 1.00 C ATOM 834 CG2 ILE A 54 16.936 -2.453 -1.516 1.00 1.00 C ATOM 835 CD1 ILE A 54 19.894 -2.230 -3.929 1.00 1.00 C ATOM 0 H ILE A 54 20.681 -4.314 -1.562 1.00 1.00 H new ATOM 0 HA ILE A 54 19.321 -2.070 -0.159 1.00 1.00 H new ATOM 0 HB ILE A 54 18.359 -3.714 -2.548 1.00 1.00 H new ATOM 0 HG12 ILE A 54 18.157 -1.093 -3.319 1.00 1.00 H new ATOM 0 HG13 ILE A 54 19.520 -0.946 -2.228 1.00 1.00 H new ATOM 0 HG21 ILE A 54 16.310 -2.306 -2.396 1.00 1.00 H new ATOM 0 HG22 ILE A 54 16.535 -3.271 -0.918 1.00 1.00 H new ATOM 0 HG23 ILE A 54 16.946 -1.540 -0.921 1.00 1.00 H new ATOM 0 HD11 ILE A 54 20.294 -1.420 -4.539 1.00 1.00 H new ATOM 0 HD12 ILE A 54 20.715 -2.766 -3.454 1.00 1.00 H new ATOM 0 HD13 ILE A 54 19.331 -2.916 -4.562 1.00 1.00 H new ATOM 847 N PHE A 55 18.095 -3.662 1.296 1.00 1.00 N ATOM 848 CA PHE A 55 17.459 -4.580 2.237 1.00 1.00 C ATOM 849 C PHE A 55 15.959 -4.352 2.234 1.00 1.00 C ATOM 850 O PHE A 55 15.488 -3.253 2.530 1.00 1.00 O ATOM 851 CB PHE A 55 18.012 -4.332 3.645 1.00 1.00 C ATOM 852 CG PHE A 55 19.447 -4.812 3.709 1.00 1.00 C ATOM 853 CD1 PHE A 55 19.722 -6.148 4.026 1.00 1.00 C ATOM 854 CD2 PHE A 55 20.497 -3.925 3.441 1.00 1.00 C ATOM 855 CE1 PHE A 55 21.045 -6.596 4.076 1.00 1.00 C ATOM 856 CE2 PHE A 55 21.821 -4.374 3.493 1.00 1.00 C ATOM 857 CZ PHE A 55 22.095 -5.710 3.811 1.00 1.00 C ATOM 0 H PHE A 55 18.060 -2.683 1.581 1.00 1.00 H new ATOM 0 HA PHE A 55 17.669 -5.607 1.940 1.00 1.00 H new ATOM 0 HB2 PHE A 55 17.960 -3.271 3.887 1.00 1.00 H new ATOM 0 HB3 PHE A 55 17.407 -4.857 4.384 1.00 1.00 H new ATOM 0 HD1 PHE A 55 18.912 -6.832 4.232 1.00 1.00 H new ATOM 0 HD2 PHE A 55 20.285 -2.895 3.194 1.00 1.00 H new ATOM 0 HE1 PHE A 55 21.257 -7.627 4.319 1.00 1.00 H new ATOM 0 HE2 PHE A 55 22.632 -3.690 3.288 1.00 1.00 H new ATOM 0 HZ PHE A 55 23.117 -6.057 3.852 1.00 1.00 H new ATOM 867 N TYR A 56 15.214 -5.412 1.926 1.00 1.00 N ATOM 868 CA TYR A 56 13.754 -5.361 1.908 1.00 1.00 C ATOM 869 C TYR A 56 13.196 -6.405 2.874 1.00 1.00 C ATOM 870 O TYR A 56 13.302 -7.608 2.638 1.00 1.00 O ATOM 871 CB TYR A 56 13.233 -5.612 0.479 1.00 1.00 C ATOM 872 CG TYR A 56 11.742 -5.934 0.509 1.00 1.00 C ATOM 873 CD1 TYR A 56 10.854 -5.095 1.210 1.00 1.00 C ATOM 874 CD2 TYR A 56 11.251 -7.084 -0.130 1.00 1.00 C ATOM 875 CE1 TYR A 56 9.495 -5.407 1.263 1.00 1.00 C ATOM 876 CE2 TYR A 56 9.888 -7.390 -0.071 1.00 1.00 C ATOM 877 CZ TYR A 56 9.012 -6.551 0.625 1.00 1.00 C ATOM 878 OH TYR A 56 7.670 -6.851 0.680 1.00 1.00 O ATOM 0 H TYR A 56 15.602 -6.324 1.684 1.00 1.00 H new ATOM 0 HA TYR A 56 13.422 -4.372 2.225 1.00 1.00 H new ATOM 0 HB2 TYR A 56 13.410 -4.732 -0.140 1.00 1.00 H new ATOM 0 HB3 TYR A 56 13.781 -6.437 0.024 1.00 1.00 H new ATOM 0 HD1 TYR A 56 11.225 -4.210 1.706 1.00 1.00 H new ATOM 0 HD2 TYR A 56 11.927 -7.733 -0.668 1.00 1.00 H new ATOM 0 HE1 TYR A 56 8.815 -4.762 1.799 1.00 1.00 H new ATOM 0 HE2 TYR A 56 9.512 -8.275 -0.563 1.00 1.00 H new ATOM 0 HH TYR A 56 7.499 -7.679 0.184 1.00 1.00 H new ATOM 888 N VAL A 57 12.577 -5.932 3.950 1.00 1.00 N ATOM 889 CA VAL A 57 11.981 -6.829 4.928 1.00 1.00 C ATOM 890 C VAL A 57 11.037 -6.060 5.840 1.00 1.00 C ATOM 891 O VAL A 57 11.246 -4.880 6.111 1.00 1.00 O ATOM 892 CB VAL A 57 13.081 -7.509 5.746 1.00 1.00 C ATOM 893 CG1 VAL A 57 13.886 -6.451 6.511 1.00 1.00 C ATOM 894 CG2 VAL A 57 12.453 -8.499 6.734 1.00 1.00 C ATOM 0 H VAL A 57 12.476 -4.940 4.165 1.00 1.00 H new ATOM 0 HA VAL A 57 11.407 -7.595 4.406 1.00 1.00 H new ATOM 0 HB VAL A 57 13.748 -8.049 5.074 1.00 1.00 H new ATOM 0 HG11 VAL A 57 14.668 -6.939 7.092 1.00 1.00 H new ATOM 0 HG12 VAL A 57 14.339 -5.757 5.803 1.00 1.00 H new ATOM 0 HG13 VAL A 57 13.223 -5.904 7.182 1.00 1.00 H new ATOM 0 HG21 VAL A 57 13.239 -8.981 7.315 1.00 1.00 H new ATOM 0 HG22 VAL A 57 11.781 -7.965 7.406 1.00 1.00 H new ATOM 0 HG23 VAL A 57 11.892 -9.255 6.185 1.00 1.00 H new ATOM 904 N LEU A 58 10.011 -6.738 6.319 1.00 1.00 N ATOM 905 CA LEU A 58 9.048 -6.114 7.216 1.00 1.00 C ATOM 906 C LEU A 58 8.432 -4.862 6.577 1.00 1.00 C ATOM 907 O LEU A 58 8.395 -4.726 5.356 1.00 1.00 O ATOM 908 CB LEU A 58 9.755 -5.801 8.589 1.00 1.00 C ATOM 909 CG LEU A 58 9.155 -6.640 9.748 1.00 1.00 C ATOM 910 CD1 LEU A 58 7.615 -6.433 9.858 1.00 1.00 C ATOM 911 CD2 LEU A 58 9.507 -8.132 9.531 1.00 1.00 C ATOM 0 H LEU A 58 9.821 -7.717 6.105 1.00 1.00 H new ATOM 0 HA LEU A 58 8.221 -6.798 7.404 1.00 1.00 H new ATOM 0 HB2 LEU A 58 10.822 -6.008 8.504 1.00 1.00 H new ATOM 0 HB3 LEU A 58 9.653 -4.740 8.817 1.00 1.00 H new ATOM 0 HG LEU A 58 9.587 -6.305 10.691 1.00 1.00 H new ATOM 0 HD11 LEU A 58 7.225 -7.034 10.679 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.402 -5.381 10.046 1.00 1.00 H new ATOM 0 HD13 LEU A 58 7.139 -6.739 8.926 1.00 1.00 H new ATOM 0 HD21 LEU A 58 9.088 -8.727 10.343 1.00 1.00 H new ATOM 0 HD22 LEU A 58 9.091 -8.470 8.582 1.00 1.00 H new ATOM 0 HD23 LEU A 58 10.590 -8.252 9.516 1.00 1.00 H new ATOM 923 N ASP A 59 7.943 -3.959 7.425 1.00 1.00 N ATOM 924 CA ASP A 59 7.316 -2.726 6.975 1.00 1.00 C ATOM 925 C ASP A 59 8.331 -1.595 6.923 1.00 1.00 C ATOM 926 O ASP A 59 7.961 -0.433 6.799 1.00 1.00 O ATOM 927 CB ASP A 59 6.165 -2.349 7.913 1.00 1.00 C ATOM 928 CG ASP A 59 6.664 -2.221 9.347 1.00 1.00 C ATOM 929 OD1 ASP A 59 7.693 -1.596 9.541 1.00 1.00 O ATOM 930 OD2 ASP A 59 6.009 -2.749 10.230 1.00 1.00 O ATOM 0 H ASP A 59 7.972 -4.064 8.439 1.00 1.00 H new ATOM 0 HA ASP A 59 6.923 -2.887 5.971 1.00 1.00 H new ATOM 0 HB2 ASP A 59 5.720 -1.407 7.591 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.383 -3.106 7.860 1.00 1.00 H new ATOM 935 N PHE A 60 9.619 -1.936 7.028 1.00 1.00 N ATOM 936 CA PHE A 60 10.691 -0.934 6.989 1.00 1.00 C ATOM 937 C PHE A 60 11.863 -1.462 6.173 1.00 1.00 C ATOM 938 O PHE A 60 12.111 -2.664 6.131 1.00 1.00 O ATOM 939 CB PHE A 60 11.171 -0.601 8.407 1.00 1.00 C ATOM 940 CG PHE A 60 11.721 -1.849 9.072 1.00 1.00 C ATOM 941 CD1 PHE A 60 13.035 -2.259 8.805 1.00 1.00 C ATOM 942 CD2 PHE A 60 10.923 -2.598 9.949 1.00 1.00 C ATOM 943 CE1 PHE A 60 13.547 -3.413 9.411 1.00 1.00 C ATOM 944 CE2 PHE A 60 11.438 -3.751 10.555 1.00 1.00 C ATOM 945 CZ PHE A 60 12.750 -4.158 10.285 1.00 1.00 C ATOM 0 H PHE A 60 9.945 -2.896 7.140 1.00 1.00 H new ATOM 0 HA PHE A 60 10.298 -0.029 6.526 1.00 1.00 H new ATOM 0 HB2 PHE A 60 11.940 0.170 8.368 1.00 1.00 H new ATOM 0 HB3 PHE A 60 10.346 -0.199 8.995 1.00 1.00 H new ATOM 0 HD1 PHE A 60 13.653 -1.684 8.131 1.00 1.00 H new ATOM 0 HD2 PHE A 60 9.910 -2.285 10.157 1.00 1.00 H new ATOM 0 HE1 PHE A 60 14.559 -3.728 9.203 1.00 1.00 H new ATOM 0 HE2 PHE A 60 10.823 -4.326 11.231 1.00 1.00 H new ATOM 0 HZ PHE A 60 13.146 -5.048 10.752 1.00 1.00 H new ATOM 955 N ILE A 61 12.585 -0.549 5.530 1.00 1.00 N ATOM 956 CA ILE A 61 13.743 -0.899 4.713 1.00 1.00 C ATOM 957 C ILE A 61 14.924 -0.001 5.052 1.00 1.00 C ATOM 958 O ILE A 61 14.751 1.108 5.554 1.00 1.00 O ATOM 959 CB ILE A 61 13.375 -0.749 3.232 1.00 1.00 C ATOM 960 CG1 ILE A 61 12.959 0.705 2.933 1.00 1.00 C ATOM 961 CG2 ILE A 61 12.206 -1.697 2.894 1.00 1.00 C ATOM 962 CD1 ILE A 61 12.783 0.892 1.426 1.00 1.00 C ATOM 0 H ILE A 61 12.385 0.451 5.560 1.00 1.00 H new ATOM 0 HA ILE A 61 14.029 -1.931 4.917 1.00 1.00 H new ATOM 0 HB ILE A 61 14.243 -1.003 2.623 1.00 1.00 H new ATOM 0 HG12 ILE A 61 12.028 0.941 3.449 1.00 1.00 H new ATOM 0 HG13 ILE A 61 13.715 1.394 3.309 1.00 1.00 H new ATOM 0 HG21 ILE A 61 11.944 -1.591 1.841 1.00 1.00 H new ATOM 0 HG22 ILE A 61 12.504 -2.727 3.092 1.00 1.00 H new ATOM 0 HG23 ILE A 61 11.343 -1.444 3.510 1.00 1.00 H new ATOM 0 HD11 ILE A 61 12.489 1.921 1.219 1.00 1.00 H new ATOM 0 HD12 ILE A 61 13.724 0.675 0.920 1.00 1.00 H new ATOM 0 HD13 ILE A 61 12.011 0.214 1.063 1.00 1.00 H new ATOM 974 N SER A 62 16.127 -0.481 4.748 1.00 1.00 N ATOM 975 CA SER A 62 17.355 0.281 4.990 1.00 1.00 C ATOM 976 C SER A 62 18.252 0.206 3.763 1.00 1.00 C ATOM 977 O SER A 62 18.621 -0.882 3.321 1.00 1.00 O ATOM 978 CB SER A 62 18.089 -0.288 6.200 1.00 1.00 C ATOM 979 OG SER A 62 19.365 0.323 6.297 1.00 1.00 O ATOM 0 H SER A 62 16.281 -1.399 4.331 1.00 1.00 H new ATOM 0 HA SER A 62 17.098 1.322 5.187 1.00 1.00 H new ATOM 0 HB2 SER A 62 17.515 -0.106 7.108 1.00 1.00 H new ATOM 0 HB3 SER A 62 18.196 -1.368 6.102 1.00 1.00 H new ATOM 0 HG SER A 62 19.842 -0.037 7.074 1.00 1.00 H new ATOM 985 N ILE A 63 18.605 1.373 3.215 1.00 1.00 N ATOM 986 CA ILE A 63 19.466 1.445 2.030 1.00 1.00 C ATOM 987 C ILE A 63 20.870 1.882 2.434 1.00 1.00 C ATOM 988 O ILE A 63 21.049 2.889 3.120 1.00 1.00 O ATOM 989 CB ILE A 63 18.879 2.446 1.019 1.00 1.00 C ATOM 990 CG1 ILE A 63 17.368 2.181 0.847 1.00 1.00 C ATOM 991 CG2 ILE A 63 19.596 2.304 -0.333 1.00 1.00 C ATOM 992 CD1 ILE A 63 17.095 0.721 0.460 1.00 1.00 C ATOM 0 H ILE A 63 18.308 2.281 3.573 1.00 1.00 H new ATOM 0 HA ILE A 63 19.519 0.459 1.568 1.00 1.00 H new ATOM 0 HB ILE A 63 19.024 3.461 1.390 1.00 1.00 H new ATOM 0 HG12 ILE A 63 16.848 2.416 1.776 1.00 1.00 H new ATOM 0 HG13 ILE A 63 16.966 2.843 0.080 1.00 1.00 H new ATOM 0 HG21 ILE A 63 19.176 3.015 -1.044 1.00 1.00 H new ATOM 0 HG22 ILE A 63 20.659 2.505 -0.204 1.00 1.00 H new ATOM 0 HG23 ILE A 63 19.462 1.291 -0.711 1.00 1.00 H new ATOM 0 HD11 ILE A 63 16.022 0.569 0.347 1.00 1.00 H new ATOM 0 HD12 ILE A 63 17.595 0.495 -0.482 1.00 1.00 H new ATOM 0 HD13 ILE A 63 17.475 0.061 1.240 1.00 1.00 H new ATOM 1004 N ASP A 64 21.860 1.112 1.998 1.00 1.00 N ATOM 1005 CA ASP A 64 23.263 1.405 2.300 1.00 1.00 C ATOM 1006 C ASP A 64 23.896 2.158 1.140 1.00 1.00 C ATOM 1007 O ASP A 64 24.087 1.599 0.063 1.00 1.00 O ATOM 1008 CB ASP A 64 24.026 0.099 2.535 1.00 1.00 C ATOM 1009 CG ASP A 64 23.534 -0.576 3.813 1.00 1.00 C ATOM 1010 OD1 ASP A 64 22.818 0.067 4.565 1.00 1.00 O ATOM 1011 OD2 ASP A 64 23.883 -1.724 4.022 1.00 1.00 O ATOM 0 H ASP A 64 21.720 0.276 1.431 1.00 1.00 H new ATOM 0 HA ASP A 64 23.311 2.020 3.199 1.00 1.00 H new ATOM 0 HB2 ASP A 64 23.888 -0.570 1.685 1.00 1.00 H new ATOM 0 HB3 ASP A 64 25.094 0.302 2.610 1.00 1.00 H new ATOM 1016 N LYS A 65 24.218 3.431 1.372 1.00 1.00 N ATOM 1017 CA LYS A 65 24.830 4.285 0.348 1.00 1.00 C ATOM 1018 C LYS A 65 26.163 4.833 0.835 1.00 1.00 C ATOM 1019 O LYS A 65 26.333 5.113 2.018 1.00 1.00 O ATOM 1020 CB LYS A 65 23.901 5.457 0.044 1.00 1.00 C ATOM 1021 CG LYS A 65 22.589 4.940 -0.562 1.00 1.00 C ATOM 1022 CD LYS A 65 21.533 6.055 -0.571 1.00 1.00 C ATOM 1023 CE LYS A 65 22.073 7.292 -1.304 1.00 1.00 C ATOM 1024 NZ LYS A 65 22.745 6.864 -2.562 1.00 1.00 N ATOM 0 H LYS A 65 24.065 3.898 2.266 1.00 1.00 H new ATOM 0 HA LYS A 65 24.994 3.687 -0.549 1.00 1.00 H new ATOM 0 HB2 LYS A 65 23.695 6.015 0.957 1.00 1.00 H new ATOM 0 HB3 LYS A 65 24.385 6.146 -0.648 1.00 1.00 H new ATOM 0 HG2 LYS A 65 22.764 4.587 -1.578 1.00 1.00 H new ATOM 0 HG3 LYS A 65 22.225 4.089 0.013 1.00 1.00 H new ATOM 0 HD2 LYS A 65 20.625 5.702 -1.059 1.00 1.00 H new ATOM 0 HD3 LYS A 65 21.263 6.318 0.452 1.00 1.00 H new ATOM 0 HE2 LYS A 65 21.258 7.980 -1.529 1.00 1.00 H new ATOM 0 HE3 LYS A 65 22.776 7.828 -0.667 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 22.704 7.636 -3.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 23.739 6.631 -2.363 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 22.263 6.026 -2.945 1.00 1.00 H new ATOM 1038 N GLU A 66 27.109 4.969 -0.081 1.00 1.00 N ATOM 1039 CA GLU A 66 28.426 5.476 0.272 1.00 1.00 C ATOM 1040 C GLU A 66 28.303 6.873 0.883 1.00 1.00 C ATOM 1041 O GLU A 66 27.263 7.527 0.768 1.00 1.00 O ATOM 1042 CB GLU A 66 29.315 5.507 -0.981 1.00 1.00 C ATOM 1043 CG GLU A 66 30.779 5.781 -0.600 1.00 1.00 C ATOM 1044 CD GLU A 66 31.694 5.578 -1.805 1.00 1.00 C ATOM 1045 OE1 GLU A 66 31.182 5.482 -2.908 1.00 1.00 O ATOM 1046 OE2 GLU A 66 32.898 5.522 -1.604 1.00 1.00 O ATOM 0 H GLU A 66 26.991 4.737 -1.067 1.00 1.00 H new ATOM 0 HA GLU A 66 28.883 4.819 1.012 1.00 1.00 H new ATOM 0 HB2 GLU A 66 29.243 4.556 -1.508 1.00 1.00 H new ATOM 0 HB3 GLU A 66 28.961 6.278 -1.665 1.00 1.00 H new ATOM 0 HG2 GLU A 66 30.879 6.801 -0.228 1.00 1.00 H new ATOM 0 HG3 GLU A 66 31.081 5.116 0.209 1.00 1.00 H new ATOM 1053 N ASP A 67 29.377 7.328 1.515 1.00 1.00 N ATOM 1054 CA ASP A 67 29.406 8.651 2.129 1.00 1.00 C ATOM 1055 C ASP A 67 29.407 9.752 1.070 1.00 1.00 C ATOM 1056 O ASP A 67 29.089 10.904 1.364 1.00 1.00 O ATOM 1057 CB ASP A 67 30.645 8.793 3.015 1.00 1.00 C ATOM 1058 CG ASP A 67 31.909 8.523 2.205 1.00 1.00 C ATOM 1059 OD1 ASP A 67 31.840 8.591 0.990 1.00 1.00 O ATOM 1060 OD2 ASP A 67 32.930 8.250 2.814 1.00 1.00 O ATOM 0 H ASP A 67 30.243 6.799 1.617 1.00 1.00 H new ATOM 0 HA ASP A 67 28.507 8.757 2.737 1.00 1.00 H new ATOM 0 HB2 ASP A 67 30.684 9.796 3.439 1.00 1.00 H new ATOM 0 HB3 ASP A 67 30.585 8.096 3.851 1.00 1.00 H new ATOM 1065 N ASN A 68 29.791 9.399 -0.161 1.00 1.00 N ATOM 1066 CA ASN A 68 29.858 10.377 -1.253 1.00 1.00 C ATOM 1067 C ASN A 68 28.533 10.464 -1.996 1.00 1.00 C ATOM 1068 O ASN A 68 28.472 10.993 -3.106 1.00 1.00 O ATOM 1069 CB ASN A 68 30.968 9.979 -2.233 1.00 1.00 C ATOM 1070 CG ASN A 68 30.670 8.618 -2.863 1.00 1.00 C ATOM 1071 OD1 ASN A 68 29.515 8.208 -2.956 1.00 1.00 O ATOM 1072 ND2 ASN A 68 31.657 7.889 -3.305 1.00 1.00 N ATOM 0 H ASN A 68 30.058 8.451 -0.426 1.00 1.00 H new ATOM 0 HA ASN A 68 30.075 11.354 -0.822 1.00 1.00 H new ATOM 0 HB2 ASN A 68 31.059 10.734 -3.013 1.00 1.00 H new ATOM 0 HB3 ASN A 68 31.924 9.942 -1.712 1.00 1.00 H new ATOM 0 HD21 ASN A 68 31.470 6.980 -3.727 1.00 1.00 H new ATOM 0 HD22 ASN A 68 32.616 8.228 -3.228 1.00 1.00 H new ATOM 1079 N ALA A 69 27.468 9.932 -1.384 1.00 1.00 N ATOM 1080 CA ALA A 69 26.134 9.941 -1.994 1.00 1.00 C ATOM 1081 C ALA A 69 25.170 10.726 -1.128 1.00 1.00 C ATOM 1082 O ALA A 69 25.439 10.981 0.048 1.00 1.00 O ATOM 1083 CB ALA A 69 25.635 8.508 -2.148 1.00 1.00 C ATOM 0 H ALA A 69 27.505 9.490 -0.466 1.00 1.00 H new ATOM 0 HA ALA A 69 26.194 10.414 -2.974 1.00 1.00 H new ATOM 0 HB1 ALA A 69 24.644 8.515 -2.601 1.00 1.00 H new ATOM 0 HB2 ALA A 69 26.321 7.950 -2.785 1.00 1.00 H new ATOM 0 HB3 ALA A 69 25.583 8.034 -1.168 1.00 1.00 H new ATOM 1089 N ASN A 70 24.047 11.114 -1.722 1.00 1.00 N ATOM 1090 CA ASN A 70 23.026 11.892 -1.010 1.00 1.00 C ATOM 1091 C ASN A 70 21.624 11.518 -1.497 1.00 1.00 C ATOM 1092 O ASN A 70 21.364 11.428 -2.696 1.00 1.00 O ATOM 1093 CB ASN A 70 23.275 13.394 -1.233 1.00 1.00 C ATOM 1094 CG ASN A 70 23.601 13.658 -2.701 1.00 1.00 C ATOM 1095 OD1 ASN A 70 24.212 14.676 -3.026 1.00 1.00 O ATOM 1096 ND2 ASN A 70 23.232 12.799 -3.609 1.00 1.00 N ATOM 0 H ASN A 70 23.816 10.906 -2.693 1.00 1.00 H new ATOM 0 HA ASN A 70 23.092 11.666 0.054 1.00 1.00 H new ATOM 0 HB2 ASN A 70 22.394 13.964 -0.940 1.00 1.00 H new ATOM 0 HB3 ASN A 70 24.098 13.732 -0.603 1.00 1.00 H new ATOM 0 HD21 ASN A 70 23.449 12.970 -4.591 1.00 1.00 H new ATOM 0 HD22 ASN A 70 22.726 11.956 -3.338 1.00 1.00 H new ATOM 1103 N TRP A 71 20.729 11.291 -0.546 1.00 1.00 N ATOM 1104 CA TRP A 71 19.359 10.922 -0.868 1.00 1.00 C ATOM 1105 C TRP A 71 18.680 12.039 -1.654 1.00 1.00 C ATOM 1106 O TRP A 71 17.653 11.825 -2.296 1.00 1.00 O ATOM 1107 CB TRP A 71 18.572 10.647 0.420 1.00 1.00 C ATOM 1108 CG TRP A 71 19.087 9.407 1.078 1.00 1.00 C ATOM 1109 CD1 TRP A 71 20.349 9.228 1.537 1.00 1.00 C ATOM 1110 CD2 TRP A 71 18.371 8.175 1.364 1.00 1.00 C ATOM 1111 NE1 TRP A 71 20.452 7.960 2.075 1.00 1.00 N ATOM 1112 CE2 TRP A 71 19.260 7.273 1.993 1.00 1.00 C ATOM 1113 CE3 TRP A 71 17.050 7.752 1.135 1.00 1.00 C ATOM 1114 CZ2 TRP A 71 18.854 6.001 2.385 1.00 1.00 C ATOM 1115 CZ3 TRP A 71 16.636 6.471 1.532 1.00 1.00 C ATOM 1116 CH2 TRP A 71 17.538 5.598 2.153 1.00 1.00 C ATOM 0 H TRP A 71 20.927 11.356 0.453 1.00 1.00 H new ATOM 0 HA TRP A 71 19.377 10.019 -1.478 1.00 1.00 H new ATOM 0 HB2 TRP A 71 18.663 11.494 1.100 1.00 1.00 H new ATOM 0 HB3 TRP A 71 17.512 10.534 0.192 1.00 1.00 H new ATOM 0 HD1 TRP A 71 21.144 9.957 1.490 1.00 1.00 H new ATOM 0 HE1 TRP A 71 21.306 7.579 2.483 1.00 1.00 H new ATOM 0 HE3 TRP A 71 16.350 8.417 0.651 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 19.552 5.331 2.865 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 15.617 6.157 1.358 1.00 1.00 H new ATOM 0 HH2 TRP A 71 17.215 4.612 2.453 1.00 1.00 H new ATOM 1127 N ASN A 72 19.260 13.232 -1.594 1.00 1.00 N ATOM 1128 CA ASN A 72 18.698 14.380 -2.296 1.00 1.00 C ATOM 1129 C ASN A 72 18.563 14.085 -3.785 1.00 1.00 C ATOM 1130 O ASN A 72 17.671 14.606 -4.452 1.00 1.00 O ATOM 1131 CB ASN A 72 19.598 15.601 -2.100 1.00 1.00 C ATOM 1132 CG ASN A 72 19.839 15.842 -0.614 1.00 1.00 C ATOM 1133 OD1 ASN A 72 20.749 16.585 -0.247 1.00 1.00 O ATOM 1134 ND2 ASN A 72 19.080 15.251 0.266 1.00 1.00 N ATOM 0 H ASN A 72 20.113 13.429 -1.071 1.00 1.00 H new ATOM 0 HA ASN A 72 17.709 14.584 -1.885 1.00 1.00 H new ATOM 0 HB2 ASN A 72 20.549 15.447 -2.610 1.00 1.00 H new ATOM 0 HB3 ASN A 72 19.134 16.480 -2.548 1.00 1.00 H new ATOM 0 HD21 ASN A 72 19.240 15.404 1.262 1.00 1.00 H new ATOM 0 HD22 ASN A 72 18.327 14.636 -0.041 1.00 1.00 H new ATOM 1141 N GLU A 73 19.457 13.244 -4.302 1.00 1.00 N ATOM 1142 CA GLU A 73 19.433 12.878 -5.718 1.00 1.00 C ATOM 1143 C GLU A 73 18.445 11.742 -5.967 1.00 1.00 C ATOM 1144 O GLU A 73 17.769 11.714 -6.993 1.00 1.00 O ATOM 1145 CB GLU A 73 20.836 12.444 -6.161 1.00 1.00 C ATOM 1146 CG GLU A 73 21.797 13.637 -6.092 1.00 1.00 C ATOM 1147 CD GLU A 73 21.436 14.672 -7.155 1.00 1.00 C ATOM 1148 OE1 GLU A 73 21.314 14.289 -8.307 1.00 1.00 O ATOM 1149 OE2 GLU A 73 21.284 15.829 -6.800 1.00 1.00 O ATOM 0 H GLU A 73 20.204 12.804 -3.765 1.00 1.00 H new ATOM 0 HA GLU A 73 19.116 13.747 -6.295 1.00 1.00 H new ATOM 0 HB2 GLU A 73 21.196 11.638 -5.521 1.00 1.00 H new ATOM 0 HB3 GLU A 73 20.801 12.052 -7.178 1.00 1.00 H new ATOM 0 HG2 GLU A 73 21.752 14.092 -5.102 1.00 1.00 H new ATOM 0 HG3 GLU A 73 22.822 13.296 -6.240 1.00 1.00 H new ATOM 1156 N LEU A 74 18.381 10.788 -5.043 1.00 1.00 N ATOM 1157 CA LEU A 74 17.479 9.648 -5.196 1.00 1.00 C ATOM 1158 C LEU A 74 16.031 10.058 -5.006 1.00 1.00 C ATOM 1159 O LEU A 74 15.157 9.592 -5.726 1.00 1.00 O ATOM 1160 CB LEU A 74 17.822 8.558 -4.174 1.00 1.00 C ATOM 1161 CG LEU A 74 19.136 7.870 -4.562 1.00 1.00 C ATOM 1162 CD1 LEU A 74 20.297 8.889 -4.565 1.00 1.00 C ATOM 1163 CD2 LEU A 74 19.412 6.735 -3.567 1.00 1.00 C ATOM 0 H LEU A 74 18.937 10.779 -4.188 1.00 1.00 H new ATOM 0 HA LEU A 74 17.607 9.265 -6.208 1.00 1.00 H new ATOM 0 HB2 LEU A 74 17.911 8.995 -3.180 1.00 1.00 H new ATOM 0 HB3 LEU A 74 17.017 7.824 -4.129 1.00 1.00 H new ATOM 0 HG LEU A 74 19.053 7.458 -5.568 1.00 1.00 H new ATOM 0 HD11 LEU A 74 21.223 8.385 -4.842 1.00 1.00 H new ATOM 0 HD12 LEU A 74 20.085 9.680 -5.284 1.00 1.00 H new ATOM 0 HD13 LEU A 74 20.404 9.322 -3.570 1.00 1.00 H new ATOM 0 HD21 LEU A 74 20.345 6.237 -3.832 1.00 1.00 H new ATOM 0 HD22 LEU A 74 19.493 7.145 -2.560 1.00 1.00 H new ATOM 0 HD23 LEU A 74 18.594 6.015 -3.600 1.00 1.00 H new ATOM 1175 N LEU A 75 15.790 10.930 -4.028 1.00 1.00 N ATOM 1176 CA LEU A 75 14.435 11.405 -3.729 1.00 1.00 C ATOM 1177 C LEU A 75 13.643 11.660 -5.017 1.00 1.00 C ATOM 1178 O LEU A 75 12.633 11.004 -5.268 1.00 1.00 O ATOM 1179 CB LEU A 75 14.508 12.709 -2.880 1.00 1.00 C ATOM 1180 CG LEU A 75 14.171 12.446 -1.392 1.00 1.00 C ATOM 1181 CD1 LEU A 75 14.696 13.612 -0.541 1.00 1.00 C ATOM 1182 CD2 LEU A 75 12.644 12.343 -1.217 1.00 1.00 C ATOM 0 H LEU A 75 16.514 11.324 -3.427 1.00 1.00 H new ATOM 0 HA LEU A 75 13.918 10.631 -3.161 1.00 1.00 H new ATOM 0 HB2 LEU A 75 15.508 13.137 -2.956 1.00 1.00 H new ATOM 0 HB3 LEU A 75 13.814 13.446 -3.285 1.00 1.00 H new ATOM 0 HG LEU A 75 14.638 11.514 -1.075 1.00 1.00 H new ATOM 0 HD11 LEU A 75 14.461 13.432 0.508 1.00 1.00 H new ATOM 0 HD12 LEU A 75 15.776 13.693 -0.662 1.00 1.00 H new ATOM 0 HD13 LEU A 75 14.224 14.540 -0.864 1.00 1.00 H new ATOM 0 HD21 LEU A 75 12.410 12.158 -0.169 1.00 1.00 H new ATOM 0 HD22 LEU A 75 12.178 13.276 -1.534 1.00 1.00 H new ATOM 0 HD23 LEU A 75 12.263 11.522 -1.824 1.00 1.00 H new ATOM 1194 N PRO A 76 14.073 12.588 -5.832 1.00 1.00 N ATOM 1195 CA PRO A 76 13.356 12.905 -7.099 1.00 1.00 C ATOM 1196 C PRO A 76 13.348 11.718 -8.064 1.00 1.00 C ATOM 1197 O PRO A 76 12.472 11.613 -8.921 1.00 1.00 O ATOM 1198 CB PRO A 76 14.154 14.101 -7.677 1.00 1.00 C ATOM 1199 CG PRO A 76 15.520 13.958 -7.084 1.00 1.00 C ATOM 1200 CD PRO A 76 15.276 13.439 -5.665 1.00 1.00 C ATOM 0 HA PRO A 76 12.303 13.135 -6.936 1.00 1.00 H new ATOM 0 HB2 PRO A 76 14.188 14.067 -8.766 1.00 1.00 H new ATOM 0 HB3 PRO A 76 13.699 15.052 -7.402 1.00 1.00 H new ATOM 0 HG2 PRO A 76 16.131 13.263 -7.660 1.00 1.00 H new ATOM 0 HG3 PRO A 76 16.048 14.912 -7.071 1.00 1.00 H new ATOM 0 HD2 PRO A 76 16.126 12.869 -5.290 1.00 1.00 H new ATOM 0 HD3 PRO A 76 15.102 14.252 -4.961 1.00 1.00 H new ATOM 1208 N GLN A 77 14.337 10.832 -7.938 1.00 1.00 N ATOM 1209 CA GLN A 77 14.427 9.674 -8.831 1.00 1.00 C ATOM 1210 C GLN A 77 13.447 8.570 -8.436 1.00 1.00 C ATOM 1211 O GLN A 77 12.636 8.120 -9.247 1.00 1.00 O ATOM 1212 CB GLN A 77 15.860 9.121 -8.800 1.00 1.00 C ATOM 1213 CG GLN A 77 16.069 8.128 -9.951 1.00 1.00 C ATOM 1214 CD GLN A 77 16.069 8.868 -11.286 1.00 1.00 C ATOM 1215 OE1 GLN A 77 16.324 10.072 -11.327 1.00 1.00 O ATOM 1216 NE2 GLN A 77 15.786 8.221 -12.380 1.00 1.00 N ATOM 0 H GLN A 77 15.077 10.891 -7.238 1.00 1.00 H new ATOM 0 HA GLN A 77 14.167 10.005 -9.836 1.00 1.00 H new ATOM 0 HB2 GLN A 77 16.575 9.939 -8.881 1.00 1.00 H new ATOM 0 HB3 GLN A 77 16.047 8.628 -7.846 1.00 1.00 H new ATOM 0 HG2 GLN A 77 17.013 7.599 -9.819 1.00 1.00 H new ATOM 0 HG3 GLN A 77 15.279 7.377 -9.942 1.00 1.00 H new ATOM 0 HE21 GLN A 77 15.575 7.224 -12.343 1.00 1.00 H new ATOM 0 HE22 GLN A 77 15.775 8.711 -13.274 1.00 1.00 H new ATOM 1225 N ILE A 78 13.554 8.130 -7.187 1.00 1.00 N ATOM 1226 CA ILE A 78 12.700 7.064 -6.680 1.00 1.00 C ATOM 1227 C ILE A 78 11.261 7.542 -6.550 1.00 1.00 C ATOM 1228 O ILE A 78 10.327 6.819 -6.893 1.00 1.00 O ATOM 1229 CB ILE A 78 13.223 6.571 -5.319 1.00 1.00 C ATOM 1230 CG1 ILE A 78 13.254 7.745 -4.274 1.00 1.00 C ATOM 1231 CG2 ILE A 78 14.636 5.984 -5.517 1.00 1.00 C ATOM 1232 CD1 ILE A 78 12.058 7.654 -3.315 1.00 1.00 C ATOM 0 H ILE A 78 14.223 8.495 -6.509 1.00 1.00 H new ATOM 0 HA ILE A 78 12.722 6.237 -7.389 1.00 1.00 H new ATOM 0 HB ILE A 78 12.556 5.802 -4.929 1.00 1.00 H new ATOM 0 HG12 ILE A 78 14.184 7.708 -3.707 1.00 1.00 H new ATOM 0 HG13 ILE A 78 13.236 8.702 -4.795 1.00 1.00 H new ATOM 0 HG21 ILE A 78 15.020 5.630 -4.560 1.00 1.00 H new ATOM 0 HG22 ILE A 78 14.589 5.152 -6.219 1.00 1.00 H new ATOM 0 HG23 ILE A 78 15.298 6.755 -5.911 1.00 1.00 H new ATOM 0 HD11 ILE A 78 12.101 8.477 -2.601 1.00 1.00 H new ATOM 0 HD12 ILE A 78 11.130 7.715 -3.884 1.00 1.00 H new ATOM 0 HD13 ILE A 78 12.093 6.706 -2.779 1.00 1.00 H new ATOM 1244 N GLU A 79 11.082 8.750 -6.023 1.00 1.00 N ATOM 1245 CA GLU A 79 9.743 9.298 -5.826 1.00 1.00 C ATOM 1246 C GLU A 79 8.929 9.178 -7.105 1.00 1.00 C ATOM 1247 O GLU A 79 7.726 8.920 -7.066 1.00 1.00 O ATOM 1248 CB GLU A 79 9.841 10.771 -5.395 1.00 1.00 C ATOM 1249 CG GLU A 79 8.431 11.379 -5.198 1.00 1.00 C ATOM 1250 CD GLU A 79 7.817 11.786 -6.539 1.00 1.00 C ATOM 1251 OE1 GLU A 79 8.480 12.491 -7.281 1.00 1.00 O ATOM 1252 OE2 GLU A 79 6.701 11.374 -6.805 1.00 1.00 O ATOM 0 H GLU A 79 11.841 9.364 -5.727 1.00 1.00 H new ATOM 0 HA GLU A 79 9.241 8.731 -5.042 1.00 1.00 H new ATOM 0 HB2 GLU A 79 10.408 10.847 -4.467 1.00 1.00 H new ATOM 0 HB3 GLU A 79 10.386 11.340 -6.148 1.00 1.00 H new ATOM 0 HG2 GLU A 79 7.785 10.654 -4.703 1.00 1.00 H new ATOM 0 HG3 GLU A 79 8.494 12.249 -4.544 1.00 1.00 H new ATOM 1259 N ASN A 80 9.593 9.357 -8.235 1.00 1.00 N ATOM 1260 CA ASN A 80 8.925 9.254 -9.521 1.00 1.00 C ATOM 1261 C ASN A 80 8.473 7.815 -9.764 1.00 1.00 C ATOM 1262 O ASN A 80 7.499 7.577 -10.475 1.00 1.00 O ATOM 1263 CB ASN A 80 9.868 9.707 -10.642 1.00 1.00 C ATOM 1264 CG ASN A 80 10.113 11.211 -10.543 1.00 1.00 C ATOM 1265 OD1 ASN A 80 9.354 11.923 -9.885 1.00 1.00 O ATOM 1266 ND2 ASN A 80 11.133 11.739 -11.161 1.00 1.00 N ATOM 0 H ASN A 80 10.588 9.573 -8.288 1.00 1.00 H new ATOM 0 HA ASN A 80 8.048 9.902 -9.515 1.00 1.00 H new ATOM 0 HB2 ASN A 80 10.814 9.171 -10.571 1.00 1.00 H new ATOM 0 HB3 ASN A 80 9.436 9.464 -11.613 1.00 1.00 H new ATOM 0 HD21 ASN A 80 11.303 12.743 -11.100 1.00 1.00 H new ATOM 0 HD22 ASN A 80 11.761 11.148 -11.706 1.00 1.00 H new ATOM 1273 N THR A 81 9.199 6.857 -9.187 1.00 1.00 N ATOM 1274 CA THR A 81 8.868 5.455 -9.373 1.00 1.00 C ATOM 1275 C THR A 81 7.468 5.153 -8.844 1.00 1.00 C ATOM 1276 O THR A 81 6.668 4.501 -9.515 1.00 1.00 O ATOM 1277 CB THR A 81 9.886 4.592 -8.613 1.00 1.00 C ATOM 1278 OG1 THR A 81 11.175 5.116 -8.839 1.00 1.00 O ATOM 1279 CG2 THR A 81 9.830 3.149 -9.122 1.00 1.00 C ATOM 0 H THR A 81 10.011 7.029 -8.594 1.00 1.00 H new ATOM 0 HA THR A 81 8.897 5.229 -10.439 1.00 1.00 H new ATOM 0 HB THR A 81 9.654 4.601 -7.548 1.00 1.00 H new ATOM 0 HG1 THR A 81 11.142 5.759 -9.577 1.00 1.00 H new ATOM 0 HG21 THR A 81 10.555 2.543 -8.578 1.00 1.00 H new ATOM 0 HG22 THR A 81 8.829 2.746 -8.965 1.00 1.00 H new ATOM 0 HG23 THR A 81 10.066 3.129 -10.186 1.00 1.00 H new ATOM 1287 N PHE A 82 7.183 5.632 -7.634 1.00 1.00 N ATOM 1288 CA PHE A 82 5.882 5.407 -7.020 1.00 1.00 C ATOM 1289 C PHE A 82 4.797 6.170 -7.766 1.00 1.00 C ATOM 1290 O PHE A 82 3.673 5.689 -7.917 1.00 1.00 O ATOM 1291 CB PHE A 82 5.911 5.858 -5.560 1.00 1.00 C ATOM 1292 CG PHE A 82 6.922 5.025 -4.799 1.00 1.00 C ATOM 1293 CD1 PHE A 82 6.564 3.761 -4.318 1.00 1.00 C ATOM 1294 CD2 PHE A 82 8.215 5.515 -4.576 1.00 1.00 C ATOM 1295 CE1 PHE A 82 7.495 2.989 -3.612 1.00 1.00 C ATOM 1296 CE2 PHE A 82 9.147 4.744 -3.870 1.00 1.00 C ATOM 1297 CZ PHE A 82 8.786 3.482 -3.388 1.00 1.00 C ATOM 0 H PHE A 82 7.833 6.175 -7.065 1.00 1.00 H new ATOM 0 HA PHE A 82 5.658 4.341 -7.069 1.00 1.00 H new ATOM 0 HB2 PHE A 82 6.173 6.914 -5.499 1.00 1.00 H new ATOM 0 HB3 PHE A 82 4.923 5.748 -5.114 1.00 1.00 H new ATOM 0 HD1 PHE A 82 5.568 3.380 -4.491 1.00 1.00 H new ATOM 0 HD2 PHE A 82 8.494 6.489 -4.949 1.00 1.00 H new ATOM 0 HE1 PHE A 82 7.217 2.014 -3.240 1.00 1.00 H new ATOM 0 HE2 PHE A 82 10.143 5.124 -3.698 1.00 1.00 H new ATOM 0 HZ PHE A 82 9.504 2.887 -2.843 1.00 1.00 H new ATOM 1307 N ALA A 83 5.140 7.369 -8.225 1.00 1.00 N ATOM 1308 CA ALA A 83 4.185 8.198 -8.946 1.00 1.00 C ATOM 1309 C ALA A 83 3.658 7.463 -10.172 1.00 1.00 C ATOM 1310 O ALA A 83 2.466 7.513 -10.473 1.00 1.00 O ATOM 1311 CB ALA A 83 4.846 9.509 -9.383 1.00 1.00 C ATOM 0 H ALA A 83 6.065 7.785 -8.111 1.00 1.00 H new ATOM 0 HA ALA A 83 3.352 8.418 -8.278 1.00 1.00 H new ATOM 0 HB1 ALA A 83 4.121 10.120 -9.921 1.00 1.00 H new ATOM 0 HB2 ALA A 83 5.196 10.051 -8.504 1.00 1.00 H new ATOM 0 HB3 ALA A 83 5.692 9.290 -10.035 1.00 1.00 H new ATOM 1317 N LYS A 84 4.553 6.779 -10.880 1.00 1.00 N ATOM 1318 CA LYS A 84 4.168 6.034 -12.079 1.00 1.00 C ATOM 1319 C LYS A 84 3.543 4.692 -11.703 1.00 1.00 C ATOM 1320 O LYS A 84 2.892 4.043 -12.521 1.00 1.00 O ATOM 1321 CB LYS A 84 5.407 5.799 -12.959 1.00 1.00 C ATOM 1322 CG LYS A 84 4.977 5.414 -14.381 1.00 1.00 C ATOM 1323 CD LYS A 84 6.201 5.021 -15.214 1.00 1.00 C ATOM 1324 CE LYS A 84 7.138 6.227 -15.403 1.00 1.00 C ATOM 1325 NZ LYS A 84 8.041 5.965 -16.557 1.00 1.00 N ATOM 0 H LYS A 84 5.545 6.724 -10.647 1.00 1.00 H new ATOM 0 HA LYS A 84 3.431 6.618 -12.630 1.00 1.00 H new ATOM 0 HB2 LYS A 84 6.019 6.700 -12.987 1.00 1.00 H new ATOM 0 HB3 LYS A 84 6.023 5.009 -12.530 1.00 1.00 H new ATOM 0 HG2 LYS A 84 4.271 4.584 -14.344 1.00 1.00 H new ATOM 0 HG3 LYS A 84 4.460 6.250 -14.852 1.00 1.00 H new ATOM 0 HD2 LYS A 84 6.738 4.210 -14.721 1.00 1.00 H new ATOM 0 HD3 LYS A 84 5.881 4.647 -16.186 1.00 1.00 H new ATOM 0 HE2 LYS A 84 6.556 7.132 -15.579 1.00 1.00 H new ATOM 0 HE3 LYS A 84 7.723 6.395 -14.498 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 8.678 6.776 -16.691 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 8.604 5.111 -16.370 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 7.473 5.825 -17.417 1.00 1.00 H new ATOM 1339 N SER A 85 3.739 4.280 -10.454 1.00 1.00 N ATOM 1340 CA SER A 85 3.192 3.009 -9.977 1.00 1.00 C ATOM 1341 C SER A 85 1.757 3.194 -9.497 1.00 1.00 C ATOM 1342 O SER A 85 1.357 2.619 -8.485 1.00 1.00 O ATOM 1343 CB SER A 85 4.051 2.473 -8.830 1.00 1.00 C ATOM 1344 OG SER A 85 3.681 3.129 -7.626 1.00 1.00 O ATOM 0 H SER A 85 4.269 4.802 -9.756 1.00 1.00 H new ATOM 0 HA SER A 85 3.199 2.296 -10.801 1.00 1.00 H new ATOM 0 HB2 SER A 85 3.914 1.396 -8.729 1.00 1.00 H new ATOM 0 HB3 SER A 85 5.107 2.641 -9.041 1.00 1.00 H new ATOM 0 HG SER A 85 3.425 4.054 -7.823 1.00 1.00 H new ATOM 1350 N ASN A 86 0.987 3.993 -10.229 1.00 1.00 N ATOM 1351 CA ASN A 86 -0.404 4.239 -9.864 1.00 1.00 C ATOM 1352 C ASN A 86 -1.118 5.016 -10.966 1.00 1.00 C ATOM 1353 O ASN A 86 -0.574 5.094 -12.056 1.00 1.00 O ATOM 1354 CB ASN A 86 -0.467 5.028 -8.555 1.00 1.00 C ATOM 1355 CG ASN A 86 0.335 6.316 -8.684 1.00 1.00 C ATOM 1356 OD1 ASN A 86 0.217 7.025 -9.684 1.00 1.00 O ATOM 1357 ND2 ASN A 86 1.153 6.663 -7.729 1.00 1.00 N ATOM 0 H ASN A 86 1.299 4.477 -11.071 1.00 1.00 H new ATOM 0 HA ASN A 86 -0.902 3.278 -9.733 1.00 1.00 H new ATOM 0 HB2 ASN A 86 -1.504 5.258 -8.309 1.00 1.00 H new ATOM 0 HB3 ASN A 86 -0.072 4.424 -7.738 1.00 1.00 H new ATOM 0 HD21 ASN A 86 1.696 7.523 -7.810 1.00 1.00 H new ATOM 0 HD22 ASN A 86 1.250 6.075 -6.901 1.00 1.00 H new TER 1364 ASN A 86