USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 700 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 95 TYR OH : rot -37:sc= 1.18 USER MOD Set 1.2: A 99 GLN : amide:sc= 0.963 K(o=2.1,f=-1.3) USER MOD Set 2.1: A 50 MET CE :methyl -159:sc= 0 (180deg=-0.00653) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -125:sc= 0.00504 (180deg=-0.446) USER MOD Single : A 14 CYS SG : rot 62:sc= 0.0255 USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= 0.253 (180deg=0.131) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.6!) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0.691 (180deg=0.631) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc=-0.00723 X(o=-0.0072,f=-0.025) USER MOD Single : A 31 ASN : amide:sc= 0.0943 K(o=0.094,f=-1.4) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 30:sc= 0.00564 USER MOD Single : A 47 SER OG : rot 158:sc= 1.23 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.021 K(o=-0.021,f=-0.89) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.855 K(o=0.86,f=-8!) USER MOD Single : A 67 THR OG1 : rot 105:sc= 1.21 USER MOD Single : A 68 ASN : amide:sc= 0.397 K(o=0.4,f=-3.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 154:sc= 0.853 (180deg=0.454) USER MOD Single : A 78 MET CE :methyl 177:sc= -0.0654 (180deg=-0.0732) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.763 K(o=-0.76,f=-3.3!) USER MOD Single : A 100 GLN : amide:sc= 0.403 K(o=0.4,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 5.931 -1.803 -3.949 1.00 0.00 N ATOM 30 CA ASP A 3 5.213 -1.337 -5.169 1.00 0.00 C ATOM 31 C ASP A 3 6.178 -0.526 -6.114 1.00 0.00 C ATOM 32 O ASP A 3 6.164 0.712 -6.055 1.00 0.00 O ATOM 33 CB ASP A 3 3.982 -0.560 -4.635 1.00 0.00 C ATOM 34 CG ASP A 3 3.013 0.000 -5.676 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.895 -0.442 -6.817 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.295 1.050 -5.181 1.00 0.00 O ATOM 0 HA ASP A 3 4.868 -2.144 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.424 -1.222 -3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.342 0.269 -4.026 1.00 0.00 H new ATOM 41 N PRO A 4 6.998 -1.150 -7.018 1.00 0.00 N ATOM 42 CA PRO A 4 7.938 -0.400 -7.902 1.00 0.00 C ATOM 43 C PRO A 4 7.358 0.519 -9.026 1.00 0.00 C ATOM 44 O PRO A 4 7.942 1.570 -9.299 1.00 0.00 O ATOM 45 CB PRO A 4 8.862 -1.507 -8.452 1.00 0.00 C ATOM 46 CG PRO A 4 8.726 -2.670 -7.472 1.00 0.00 C ATOM 47 CD PRO A 4 7.265 -2.604 -7.030 1.00 0.00 C ATOM 0 HA PRO A 4 8.430 0.373 -7.311 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.565 -1.804 -9.458 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.894 -1.163 -8.513 1.00 0.00 H new ATOM 0 HG2 PRO A 4 8.958 -3.623 -7.947 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.405 -2.562 -6.626 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.608 -3.131 -7.722 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.118 -3.051 -6.047 1.00 0.00 H new ATOM 55 N ALA A 5 6.237 0.147 -9.672 1.00 0.00 N ATOM 56 CA ALA A 5 5.600 0.960 -10.749 1.00 0.00 C ATOM 57 C ALA A 5 5.058 2.367 -10.323 1.00 0.00 C ATOM 58 O ALA A 5 5.406 3.370 -10.954 1.00 0.00 O ATOM 59 CB ALA A 5 4.520 0.075 -11.401 1.00 0.00 C ATOM 0 H ALA A 5 5.741 -0.721 -9.470 1.00 0.00 H new ATOM 0 HA ALA A 5 6.376 1.237 -11.463 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.026 0.631 -12.198 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.985 -0.819 -11.817 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.784 -0.214 -10.650 1.00 0.00 H new ATOM 65 N ALA A 6 4.281 2.461 -9.224 1.00 0.00 N ATOM 66 CA ALA A 6 4.005 3.761 -8.552 1.00 0.00 C ATOM 67 C ALA A 6 5.254 4.532 -8.003 1.00 0.00 C ATOM 68 O ALA A 6 5.311 5.755 -8.143 1.00 0.00 O ATOM 69 CB ALA A 6 2.968 3.494 -7.449 1.00 0.00 C ATOM 0 H ALA A 6 3.833 1.660 -8.780 1.00 0.00 H new ATOM 0 HA ALA A 6 3.626 4.444 -9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.739 4.426 -6.932 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.058 3.093 -7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.371 2.774 -6.737 1.00 0.00 H new ATOM 75 N GLY A 7 6.270 3.843 -7.442 1.00 0.00 N ATOM 76 CA GLY A 7 7.590 4.465 -7.144 1.00 0.00 C ATOM 77 C GLY A 7 8.408 5.051 -8.322 1.00 0.00 C ATOM 78 O GLY A 7 9.004 6.114 -8.159 1.00 0.00 O ATOM 0 H GLY A 7 6.208 2.858 -7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.425 5.266 -6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.208 3.714 -6.651 1.00 0.00 H new ATOM 82 N GLU A 8 8.408 4.405 -9.500 1.00 0.00 N ATOM 83 CA GLU A 8 8.873 5.016 -10.783 1.00 0.00 C ATOM 84 C GLU A 8 8.119 6.323 -11.215 1.00 0.00 C ATOM 85 O GLU A 8 8.771 7.305 -11.583 1.00 0.00 O ATOM 86 CB GLU A 8 8.850 3.879 -11.845 1.00 0.00 C ATOM 87 CG GLU A 8 9.498 4.187 -13.221 1.00 0.00 C ATOM 88 CD GLU A 8 8.590 4.918 -14.215 1.00 0.00 C ATOM 89 OE1 GLU A 8 7.516 4.476 -14.611 1.00 0.00 O ATOM 90 OE2 GLU A 8 9.102 6.113 -14.618 1.00 0.00 O ATOM 0 H GLU A 8 8.087 3.442 -9.603 1.00 0.00 H new ATOM 0 HA GLU A 8 9.885 5.401 -10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.352 3.009 -11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.811 3.596 -12.015 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.392 4.789 -13.058 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.823 3.249 -13.671 1.00 0.00 H new ATOM 97 N LYS A 9 6.775 6.361 -11.123 1.00 0.00 N ATOM 98 CA LYS A 9 5.980 7.623 -11.237 1.00 0.00 C ATOM 99 C LYS A 9 6.346 8.737 -10.189 1.00 0.00 C ATOM 100 O LYS A 9 6.569 9.885 -10.581 1.00 0.00 O ATOM 101 CB LYS A 9 4.465 7.274 -11.205 1.00 0.00 C ATOM 102 CG LYS A 9 3.934 6.446 -12.404 1.00 0.00 C ATOM 103 CD LYS A 9 2.467 5.988 -12.264 1.00 0.00 C ATOM 104 CE LYS A 9 1.433 7.121 -12.377 1.00 0.00 C ATOM 105 NZ LYS A 9 0.068 6.569 -12.265 1.00 0.00 N ATOM 0 H LYS A 9 6.203 5.530 -10.969 1.00 0.00 H new ATOM 0 HA LYS A 9 6.243 8.074 -12.194 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.259 6.722 -10.288 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.899 8.204 -11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.031 7.041 -13.312 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.566 5.567 -12.531 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.257 5.243 -13.032 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.344 5.495 -11.300 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.602 7.859 -11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.549 7.637 -13.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.626 7.340 -12.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.092 5.881 -13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.041 6.096 -11.345 1.00 0.00 H new ATOM 118 N VAL A 10 6.471 8.403 -8.885 1.00 0.00 N ATOM 119 CA VAL A 10 7.043 9.326 -7.845 1.00 0.00 C ATOM 120 C VAL A 10 8.535 9.758 -8.119 1.00 0.00 C ATOM 121 O VAL A 10 8.852 10.938 -7.943 1.00 0.00 O ATOM 122 CB VAL A 10 6.829 8.744 -6.400 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.323 9.686 -5.273 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.359 8.409 -6.046 1.00 0.00 C ATOM 0 H VAL A 10 6.185 7.497 -8.513 1.00 0.00 H new ATOM 0 HA VAL A 10 6.480 10.257 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 10 7.422 7.830 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.143 9.220 -4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.390 9.870 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.783 10.631 -5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.310 8.014 -5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.754 9.313 -6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.977 7.664 -6.744 1.00 0.00 H new ATOM 134 N PHE A 11 9.432 8.856 -8.579 1.00 0.00 N ATOM 135 CA PHE A 11 10.807 9.214 -9.042 1.00 0.00 C ATOM 136 C PHE A 11 10.932 10.341 -10.129 1.00 0.00 C ATOM 137 O PHE A 11 11.953 11.029 -10.124 1.00 0.00 O ATOM 138 CB PHE A 11 11.554 7.902 -9.438 1.00 0.00 C ATOM 139 CG PHE A 11 13.071 8.046 -9.686 1.00 0.00 C ATOM 140 CD1 PHE A 11 13.933 8.401 -8.644 1.00 0.00 C ATOM 141 CD2 PHE A 11 13.586 7.918 -10.980 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.269 8.695 -8.905 1.00 0.00 C ATOM 143 CE2 PHE A 11 14.923 8.217 -11.240 1.00 0.00 C ATOM 144 CZ PHE A 11 15.757 8.630 -10.205 1.00 0.00 C ATOM 0 H PHE A 11 9.230 7.858 -8.643 1.00 0.00 H new ATOM 0 HA PHE A 11 11.290 9.698 -8.193 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.402 7.166 -8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.093 7.501 -10.341 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.561 8.447 -7.631 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.944 7.586 -11.783 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.927 8.974 -8.096 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.311 8.128 -12.244 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.782 8.900 -10.412 1.00 0.00 H new ATOM 154 N GLY A 12 9.917 10.615 -10.976 1.00 0.00 N ATOM 155 CA GLY A 12 9.815 11.907 -11.729 1.00 0.00 C ATOM 156 C GLY A 12 10.052 13.256 -10.987 1.00 0.00 C ATOM 157 O GLY A 12 10.644 14.170 -11.564 1.00 0.00 O ATOM 0 H GLY A 12 9.152 9.967 -11.163 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.527 11.860 -12.553 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.819 11.949 -12.170 1.00 0.00 H new ATOM 161 N LYS A 13 9.657 13.357 -9.706 1.00 0.00 N ATOM 162 CA LYS A 13 10.128 14.433 -8.776 1.00 0.00 C ATOM 163 C LYS A 13 11.685 14.512 -8.537 1.00 0.00 C ATOM 164 O LYS A 13 12.240 15.607 -8.424 1.00 0.00 O ATOM 165 CB LYS A 13 9.403 14.250 -7.409 1.00 0.00 C ATOM 166 CG LYS A 13 7.855 14.326 -7.403 1.00 0.00 C ATOM 167 CD LYS A 13 7.276 14.005 -6.009 1.00 0.00 C ATOM 168 CE LYS A 13 5.739 13.989 -5.922 1.00 0.00 C ATOM 169 NZ LYS A 13 5.166 12.761 -6.514 1.00 0.00 N ATOM 0 H LYS A 13 9.004 12.703 -9.274 1.00 0.00 H new ATOM 0 HA LYS A 13 9.879 15.375 -9.265 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.694 13.282 -7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.780 15.010 -6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.538 15.323 -7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.453 13.625 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.651 13.032 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.656 14.739 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.434 14.066 -4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.337 14.862 -6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.470 13.019 -7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.926 12.197 -6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.699 12.203 -5.771 1.00 0.00 H new ATOM 182 N CYS A 14 12.370 13.358 -8.439 1.00 0.00 N ATOM 183 CA CYS A 14 13.850 13.268 -8.330 1.00 0.00 C ATOM 184 C CYS A 14 14.656 13.333 -9.686 1.00 0.00 C ATOM 185 O CYS A 14 15.786 13.831 -9.681 1.00 0.00 O ATOM 186 CB CYS A 14 14.147 11.948 -7.574 1.00 0.00 C ATOM 187 SG CYS A 14 12.938 11.480 -6.289 1.00 0.00 S ATOM 0 H CYS A 14 11.912 12.447 -8.433 1.00 0.00 H new ATOM 0 HA CYS A 14 14.198 14.157 -7.803 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.206 11.139 -8.303 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.129 12.031 -7.109 1.00 0.00 H new ATOM 0 HG CYS A 14 11.774 11.294 -6.836 1.00 0.00 H new ATOM 192 N LYS A 15 14.101 12.836 -10.822 1.00 0.00 N ATOM 193 CA LYS A 15 14.770 12.788 -12.166 1.00 0.00 C ATOM 194 C LYS A 15 15.478 14.071 -12.712 1.00 0.00 C ATOM 195 O LYS A 15 16.508 13.943 -13.379 1.00 0.00 O ATOM 196 CB LYS A 15 13.744 12.294 -13.235 1.00 0.00 C ATOM 197 CG LYS A 15 13.431 10.783 -13.226 1.00 0.00 C ATOM 198 CD LYS A 15 12.458 10.357 -14.344 1.00 0.00 C ATOM 199 CE LYS A 15 11.956 8.918 -14.151 1.00 0.00 C ATOM 200 NZ LYS A 15 11.020 8.545 -15.227 1.00 0.00 N ATOM 0 H LYS A 15 13.158 12.448 -10.839 1.00 0.00 H new ATOM 0 HA LYS A 15 15.599 12.103 -11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.811 12.839 -13.093 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.121 12.561 -14.222 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.362 10.225 -13.331 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.005 10.513 -12.260 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.607 11.038 -14.364 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.956 10.441 -15.310 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.802 8.230 -14.143 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.462 8.826 -13.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.442 7.737 -14.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.400 9.352 -15.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.557 8.283 -16.078 1.00 0.00 H new ATOM 213 N ALA A 16 14.964 15.287 -12.442 1.00 0.00 N ATOM 214 CA ALA A 16 15.703 16.554 -12.718 1.00 0.00 C ATOM 215 C ALA A 16 17.141 16.716 -12.105 1.00 0.00 C ATOM 216 O ALA A 16 17.971 17.416 -12.690 1.00 0.00 O ATOM 217 CB ALA A 16 14.768 17.697 -12.277 1.00 0.00 C ATOM 0 H ALA A 16 14.040 15.428 -12.033 1.00 0.00 H new ATOM 0 HA ALA A 16 15.934 16.559 -13.783 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.256 18.655 -12.455 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.841 17.650 -12.849 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.545 17.595 -11.215 1.00 0.00 H new ATOM 223 N CYS A 17 17.429 16.075 -10.957 1.00 0.00 N ATOM 224 CA CYS A 17 18.786 16.028 -10.354 1.00 0.00 C ATOM 225 C CYS A 17 19.463 14.611 -10.340 1.00 0.00 C ATOM 226 O CYS A 17 20.664 14.518 -10.610 1.00 0.00 O ATOM 227 CB CYS A 17 18.658 16.606 -8.931 1.00 0.00 C ATOM 228 SG CYS A 17 17.715 18.163 -8.888 1.00 0.00 S ATOM 0 H CYS A 17 16.728 15.571 -10.414 1.00 0.00 H new ATOM 0 HA CYS A 17 19.457 16.617 -10.979 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.171 15.873 -8.288 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.654 16.777 -8.522 1.00 0.00 H new ATOM 0 HG CYS A 17 17.643 18.593 -7.663 1.00 0.00 H new ATOM 233 N HIS A 18 18.732 13.534 -9.978 1.00 0.00 N ATOM 234 CA HIS A 18 19.306 12.174 -9.758 1.00 0.00 C ATOM 235 C HIS A 18 19.057 11.194 -10.946 1.00 0.00 C ATOM 236 O HIS A 18 18.052 11.270 -11.661 1.00 0.00 O ATOM 237 CB HIS A 18 18.673 11.570 -8.478 1.00 0.00 C ATOM 238 CG HIS A 18 19.147 12.177 -7.166 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.282 11.783 -6.503 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.375 12.993 -6.348 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.060 12.334 -5.276 1.00 0.00 C ATOM 242 NE2 HIS A 18 18.897 13.058 -5.046 1.00 0.00 N ATOM 0 H HIS A 18 17.724 13.576 -9.828 1.00 0.00 H new ATOM 0 HA HIS A 18 20.385 12.295 -9.664 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.591 11.683 -8.541 1.00 0.00 H new ATOM 0 HB3 HIS A 18 18.882 10.500 -8.460 1.00 0.00 H new ATOM 0 HD1 HIS A 18 21.072 11.231 -6.836 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.485 13.512 -6.673 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.785 12.208 -4.486 1.00 0.00 H new ATOM 250 N LYS A 19 19.973 10.222 -11.104 1.00 0.00 N ATOM 251 CA LYS A 19 19.931 9.234 -12.219 1.00 0.00 C ATOM 252 C LYS A 19 20.032 7.770 -11.679 1.00 0.00 C ATOM 253 O LYS A 19 20.856 7.450 -10.816 1.00 0.00 O ATOM 254 CB LYS A 19 21.092 9.559 -13.202 1.00 0.00 C ATOM 255 CG LYS A 19 20.880 10.823 -14.080 1.00 0.00 C ATOM 256 CD LYS A 19 22.185 11.569 -14.445 1.00 0.00 C ATOM 257 CE LYS A 19 22.612 12.704 -13.491 1.00 0.00 C ATOM 258 NZ LYS A 19 22.940 12.224 -12.136 1.00 0.00 N ATOM 0 H LYS A 19 20.762 10.092 -10.471 1.00 0.00 H new ATOM 0 HA LYS A 19 18.978 9.307 -12.743 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.009 9.685 -12.627 1.00 0.00 H new ATOM 0 HB3 LYS A 19 21.242 8.701 -13.858 1.00 0.00 H new ATOM 0 HG2 LYS A 19 20.372 10.532 -14.999 1.00 0.00 H new ATOM 0 HG3 LYS A 19 20.217 11.510 -13.554 1.00 0.00 H new ATOM 0 HD2 LYS A 19 22.994 10.840 -14.493 1.00 0.00 H new ATOM 0 HD3 LYS A 19 22.072 11.987 -15.445 1.00 0.00 H new ATOM 0 HE2 LYS A 19 23.479 13.216 -13.909 1.00 0.00 H new ATOM 0 HE3 LYS A 19 21.809 13.438 -13.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 23.316 13.012 -11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 22.082 11.851 -11.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 23.654 11.470 -12.198 1.00 0.00 H new ATOM 271 N LEU A 20 19.231 6.858 -12.253 1.00 0.00 N ATOM 272 CA LEU A 20 19.379 5.380 -12.030 1.00 0.00 C ATOM 273 C LEU A 20 20.116 4.647 -13.209 1.00 0.00 C ATOM 274 O LEU A 20 19.783 3.513 -13.568 1.00 0.00 O ATOM 275 CB LEU A 20 17.955 4.811 -11.747 1.00 0.00 C ATOM 276 CG LEU A 20 17.238 5.307 -10.466 1.00 0.00 C ATOM 277 CD1 LEU A 20 15.792 4.811 -10.401 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.953 4.893 -9.179 1.00 0.00 C ATOM 0 H LEU A 20 18.466 7.103 -12.881 1.00 0.00 H new ATOM 0 HA LEU A 20 20.028 5.197 -11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.321 5.046 -12.602 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.029 3.725 -11.694 1.00 0.00 H new ATOM 0 HG LEU A 20 17.256 6.395 -10.534 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.322 5.179 -9.489 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.242 5.179 -11.267 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.781 3.721 -10.401 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.401 5.271 -8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.007 3.806 -9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.961 5.307 -9.174 1.00 0.00 H new ATOM 290 N ASP A 21 21.187 5.257 -13.755 1.00 0.00 N ATOM 291 CA ASP A 21 22.056 4.636 -14.799 1.00 0.00 C ATOM 292 C ASP A 21 23.559 5.041 -14.587 1.00 0.00 C ATOM 293 O ASP A 21 24.199 5.589 -15.493 1.00 0.00 O ATOM 294 CB ASP A 21 21.529 5.008 -16.221 1.00 0.00 C ATOM 295 CG ASP A 21 20.154 4.467 -16.622 1.00 0.00 C ATOM 296 OD1 ASP A 21 20.201 3.152 -16.991 1.00 0.00 O ATOM 297 OD2 ASP A 21 19.135 5.150 -16.613 1.00 0.00 O ATOM 0 H ASP A 21 21.482 6.197 -13.490 1.00 0.00 H new ATOM 0 HA ASP A 21 22.011 3.551 -14.708 1.00 0.00 H new ATOM 0 HB2 ASP A 21 21.499 6.095 -16.296 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.256 4.657 -16.953 1.00 0.00 H new ATOM 302 N GLY A 22 24.142 4.785 -13.393 1.00 0.00 N ATOM 303 CA GLY A 22 25.589 5.059 -13.124 1.00 0.00 C ATOM 304 C GLY A 22 26.060 6.522 -12.893 1.00 0.00 C ATOM 305 O GLY A 22 26.895 6.782 -12.026 1.00 0.00 O ATOM 0 H GLY A 22 23.641 4.390 -12.597 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.873 4.482 -12.244 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.159 4.661 -13.964 1.00 0.00 H new ATOM 309 N ASN A 23 25.569 7.456 -13.714 1.00 0.00 N ATOM 310 CA ASN A 23 26.109 8.836 -13.827 1.00 0.00 C ATOM 311 C ASN A 23 25.735 9.764 -12.623 1.00 0.00 C ATOM 312 O ASN A 23 24.599 9.783 -12.140 1.00 0.00 O ATOM 313 CB ASN A 23 25.613 9.421 -15.180 1.00 0.00 C ATOM 314 CG ASN A 23 26.326 8.891 -16.430 1.00 0.00 C ATOM 315 OD1 ASN A 23 27.377 9.381 -16.823 1.00 0.00 O ATOM 316 ND2 ASN A 23 25.802 7.887 -17.095 1.00 0.00 N ATOM 0 H ASN A 23 24.775 7.284 -14.331 1.00 0.00 H new ATOM 0 HA ASN A 23 27.198 8.788 -13.798 1.00 0.00 H new ATOM 0 HB2 ASN A 23 24.547 9.214 -15.276 1.00 0.00 H new ATOM 0 HB3 ASN A 23 25.726 10.505 -15.151 1.00 0.00 H new ATOM 0 HD21 ASN A 23 26.270 7.526 -17.926 1.00 0.00 H new ATOM 0 HD22 ASN A 23 24.927 7.468 -16.780 1.00 0.00 H new ATOM 323 N ASP A 24 26.727 10.539 -12.152 1.00 0.00 N ATOM 324 CA ASP A 24 26.564 11.500 -11.021 1.00 0.00 C ATOM 325 C ASP A 24 26.697 12.962 -11.559 1.00 0.00 C ATOM 326 O ASP A 24 27.696 13.289 -12.209 1.00 0.00 O ATOM 327 CB ASP A 24 27.662 11.190 -9.965 1.00 0.00 C ATOM 328 CG ASP A 24 27.471 9.922 -9.132 1.00 0.00 C ATOM 329 OD1 ASP A 24 27.577 8.784 -9.874 1.00 0.00 O ATOM 330 OD2 ASP A 24 27.246 9.939 -7.927 1.00 0.00 O ATOM 0 H ASP A 24 27.671 10.525 -12.538 1.00 0.00 H new ATOM 0 HA ASP A 24 25.581 11.400 -10.560 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.620 11.118 -10.480 1.00 0.00 H new ATOM 0 HB3 ASP A 24 27.729 12.038 -9.284 1.00 0.00 H new ATOM 335 N GLY A 25 25.705 13.834 -11.298 1.00 0.00 N ATOM 336 CA GLY A 25 25.666 15.198 -11.899 1.00 0.00 C ATOM 337 C GLY A 25 25.283 16.305 -10.908 1.00 0.00 C ATOM 338 O GLY A 25 26.122 16.744 -10.120 1.00 0.00 O ATOM 0 H GLY A 25 24.920 13.628 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 25 26.644 15.426 -12.322 1.00 0.00 H new ATOM 0 HA3 GLY A 25 24.954 15.200 -12.724 1.00 0.00 H new ATOM 342 N VAL A 26 24.019 16.755 -10.943 1.00 0.00 N ATOM 343 CA VAL A 26 23.466 17.678 -9.895 1.00 0.00 C ATOM 344 C VAL A 26 23.268 16.924 -8.533 1.00 0.00 C ATOM 345 O VAL A 26 23.796 17.368 -7.511 1.00 0.00 O ATOM 346 CB VAL A 26 22.187 18.424 -10.420 1.00 0.00 C ATOM 347 CG1 VAL A 26 21.522 19.349 -9.371 1.00 0.00 C ATOM 348 CG2 VAL A 26 22.440 19.294 -11.676 1.00 0.00 C ATOM 0 H VAL A 26 23.351 16.507 -11.673 1.00 0.00 H new ATOM 0 HA VAL A 26 24.192 18.464 -9.687 1.00 0.00 H new ATOM 0 HB VAL A 26 21.523 17.595 -10.663 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.647 19.827 -9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.218 18.759 -8.507 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.233 20.113 -9.057 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.510 19.776 -11.978 1.00 0.00 H new ATOM 0 HG22 VAL A 26 23.186 20.055 -11.447 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.802 18.664 -12.488 1.00 0.00 H new ATOM 358 N GLY A 27 22.555 15.784 -8.536 1.00 0.00 N ATOM 359 CA GLY A 27 22.622 14.796 -7.433 1.00 0.00 C ATOM 360 C GLY A 27 23.428 13.508 -7.789 1.00 0.00 C ATOM 361 O GLY A 27 23.655 13.236 -8.976 1.00 0.00 O ATOM 0 H GLY A 27 21.922 15.519 -9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.076 15.268 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.608 14.512 -7.150 1.00 0.00 H new ATOM 365 N PRO A 28 23.851 12.653 -6.814 1.00 0.00 N ATOM 366 CA PRO A 28 24.513 11.354 -7.122 1.00 0.00 C ATOM 367 C PRO A 28 23.584 10.271 -7.765 1.00 0.00 C ATOM 368 O PRO A 28 22.357 10.413 -7.802 1.00 0.00 O ATOM 369 CB PRO A 28 25.059 10.956 -5.732 1.00 0.00 C ATOM 370 CG PRO A 28 24.097 11.595 -4.729 1.00 0.00 C ATOM 371 CD PRO A 28 23.745 12.933 -5.370 1.00 0.00 C ATOM 0 HA PRO A 28 25.275 11.441 -7.896 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.088 9.873 -5.615 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.077 11.320 -5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.211 10.979 -4.575 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.565 11.729 -3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.742 13.259 -5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.432 13.721 -5.061 1.00 0.00 H new ATOM 379 N HIS A 29 24.158 9.152 -8.247 1.00 0.00 N ATOM 380 CA HIS A 29 23.342 8.007 -8.740 1.00 0.00 C ATOM 381 C HIS A 29 22.633 7.245 -7.567 1.00 0.00 C ATOM 382 O HIS A 29 23.277 6.840 -6.591 1.00 0.00 O ATOM 383 CB HIS A 29 24.154 7.091 -9.700 1.00 0.00 C ATOM 384 CG HIS A 29 25.138 6.081 -9.096 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.157 6.395 -8.207 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.130 4.705 -9.371 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.694 5.146 -8.037 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.139 4.069 -8.674 1.00 0.00 N ATOM 0 H HIS A 29 25.166 9.009 -8.309 1.00 0.00 H new ATOM 0 HA HIS A 29 22.531 8.409 -9.347 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.441 6.535 -10.308 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.715 7.736 -10.376 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.434 4.213 -10.034 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.556 5.011 -7.400 1.00 0.00 H new ATOM 0 HE2 HIS A 29 26.396 3.082 -8.643 1.00 0.00 H new ATOM 396 N LEU A 30 21.307 7.056 -7.652 1.00 0.00 N ATOM 397 CA LEU A 30 20.535 6.325 -6.594 1.00 0.00 C ATOM 398 C LEU A 30 20.380 4.773 -6.777 1.00 0.00 C ATOM 399 O LEU A 30 19.747 4.133 -5.932 1.00 0.00 O ATOM 400 CB LEU A 30 19.189 7.068 -6.344 1.00 0.00 C ATOM 401 CG LEU A 30 19.268 8.475 -5.691 1.00 0.00 C ATOM 402 CD1 LEU A 30 17.869 9.107 -5.634 1.00 0.00 C ATOM 403 CD2 LEU A 30 19.859 8.484 -4.269 1.00 0.00 C ATOM 0 H LEU A 30 20.737 7.390 -8.429 1.00 0.00 H new ATOM 0 HA LEU A 30 21.146 6.358 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.675 7.167 -7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.566 6.436 -5.711 1.00 0.00 H new ATOM 0 HG LEU A 30 19.945 9.048 -6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.934 10.093 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.472 9.203 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.208 8.474 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.877 9.505 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 30 19.244 7.865 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.874 8.088 -4.294 1.00 0.00 H new ATOM 415 N ASN A 31 21.014 4.146 -7.795 1.00 0.00 N ATOM 416 CA ASN A 31 21.140 2.664 -7.902 1.00 0.00 C ATOM 417 C ASN A 31 21.937 2.069 -6.699 1.00 0.00 C ATOM 418 O ASN A 31 23.097 2.428 -6.458 1.00 0.00 O ATOM 419 CB ASN A 31 21.867 2.296 -9.224 1.00 0.00 C ATOM 420 CG ASN A 31 21.061 2.321 -10.516 1.00 0.00 C ATOM 421 OD1 ASN A 31 19.839 2.385 -10.550 1.00 0.00 O ATOM 422 ND2 ASN A 31 21.740 2.235 -11.634 1.00 0.00 N ATOM 0 H ASN A 31 21.454 4.648 -8.567 1.00 0.00 H new ATOM 0 HA ASN A 31 20.135 2.242 -7.892 1.00 0.00 H new ATOM 0 HB2 ASN A 31 22.709 2.978 -9.343 1.00 0.00 H new ATOM 0 HB3 ASN A 31 22.282 1.295 -9.109 1.00 0.00 H new ATOM 0 HD21 ASN A 31 21.250 2.222 -12.529 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.758 2.182 -11.609 1.00 0.00 H new ATOM 429 N GLY A 32 21.280 1.195 -5.928 1.00 0.00 N ATOM 430 CA GLY A 32 21.889 0.621 -4.702 1.00 0.00 C ATOM 431 C GLY A 32 21.853 1.457 -3.406 1.00 0.00 C ATOM 432 O GLY A 32 22.642 1.146 -2.518 1.00 0.00 O ATOM 0 H GLY A 32 20.334 0.866 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.394 -0.329 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.932 0.396 -4.923 1.00 0.00 H new ATOM 436 N VAL A 33 20.974 2.468 -3.256 1.00 0.00 N ATOM 437 CA VAL A 33 20.964 3.364 -2.056 1.00 0.00 C ATOM 438 C VAL A 33 20.402 2.752 -0.724 1.00 0.00 C ATOM 439 O VAL A 33 20.825 3.181 0.352 1.00 0.00 O ATOM 440 CB VAL A 33 20.352 4.760 -2.427 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.822 4.754 -2.633 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.709 5.868 -1.407 1.00 0.00 C ATOM 0 H VAL A 33 20.257 2.694 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 33 22.012 3.503 -1.789 1.00 0.00 H new ATOM 0 HB VAL A 33 20.818 4.984 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.485 5.759 -2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.567 4.071 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.333 4.428 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.257 6.809 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.330 5.592 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.792 5.984 -1.360 1.00 0.00 H new ATOM 452 N VAL A 34 19.467 1.787 -0.768 1.00 0.00 N ATOM 453 CA VAL A 34 18.744 1.287 0.441 1.00 0.00 C ATOM 454 C VAL A 34 19.670 0.289 1.219 1.00 0.00 C ATOM 455 O VAL A 34 19.903 -0.842 0.781 1.00 0.00 O ATOM 456 CB VAL A 34 17.338 0.701 0.057 1.00 0.00 C ATOM 457 CG1 VAL A 34 16.489 0.408 1.318 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.491 1.608 -0.873 1.00 0.00 C ATOM 0 H VAL A 34 19.184 1.326 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 34 18.525 2.111 1.121 1.00 0.00 H new ATOM 0 HB VAL A 34 17.575 -0.212 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.522 0.004 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.008 -0.317 1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.339 1.331 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.538 1.123 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.310 2.564 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.028 1.775 -1.807 1.00 0.00 H new ATOM 468 N GLY A 35 20.258 0.755 2.334 1.00 0.00 N ATOM 469 CA GLY A 35 21.478 0.132 2.922 1.00 0.00 C ATOM 470 C GLY A 35 22.846 0.837 2.697 1.00 0.00 C ATOM 471 O GLY A 35 23.779 0.555 3.451 1.00 0.00 O ATOM 0 H GLY A 35 19.915 1.562 2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.322 0.045 3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.557 -0.881 2.528 1.00 0.00 H new ATOM 475 N ARG A 36 23.007 1.725 1.699 1.00 0.00 N ATOM 476 CA ARG A 36 24.320 2.346 1.350 1.00 0.00 C ATOM 477 C ARG A 36 24.779 3.453 2.347 1.00 0.00 C ATOM 478 O ARG A 36 23.962 4.209 2.877 1.00 0.00 O ATOM 479 CB ARG A 36 24.169 2.909 -0.087 1.00 0.00 C ATOM 480 CG ARG A 36 25.461 3.352 -0.823 1.00 0.00 C ATOM 481 CD ARG A 36 25.259 3.670 -2.322 1.00 0.00 C ATOM 482 NE ARG A 36 24.564 4.973 -2.527 1.00 0.00 N ATOM 483 CZ ARG A 36 24.205 5.472 -3.712 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.352 4.846 -4.850 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.680 6.659 -3.760 1.00 0.00 N ATOM 0 H ARG A 36 22.238 2.039 1.106 1.00 0.00 H new ATOM 0 HA ARG A 36 25.103 1.591 1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 36 23.679 2.149 -0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.496 3.766 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 36 25.864 4.235 -0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.208 2.564 -0.728 1.00 0.00 H new ATOM 0 HD2 ARG A 36 26.227 3.693 -2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 36 24.679 2.873 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 36 24.346 5.526 -1.698 1.00 0.00 H new ATOM 0 HH11 ARG A 36 24.765 3.913 -4.869 1.00 0.00 H new ATOM 0 HH12 ARG A 36 24.054 5.290 -5.719 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.548 7.193 -2.901 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.400 7.057 -4.656 1.00 0.00 H new ATOM 499 N THR A 37 26.100 3.580 2.556 1.00 0.00 N ATOM 500 CA THR A 37 26.701 4.592 3.475 1.00 0.00 C ATOM 501 C THR A 37 26.281 6.075 3.169 1.00 0.00 C ATOM 502 O THR A 37 26.229 6.495 2.006 1.00 0.00 O ATOM 503 CB THR A 37 28.252 4.394 3.465 1.00 0.00 C ATOM 504 OG1 THR A 37 28.594 3.046 3.774 1.00 0.00 O ATOM 505 CG2 THR A 37 29.030 5.245 4.483 1.00 0.00 C ATOM 0 H THR A 37 26.792 2.988 2.097 1.00 0.00 H new ATOM 0 HA THR A 37 26.306 4.421 4.476 1.00 0.00 H new ATOM 0 HB THR A 37 28.532 4.697 2.456 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.569 2.944 3.760 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.096 5.034 4.395 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.852 6.302 4.285 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.694 5.003 5.491 1.00 0.00 H new ATOM 513 N VAL A 38 26.002 6.869 4.225 1.00 0.00 N ATOM 514 CA VAL A 38 25.748 8.341 4.087 1.00 0.00 C ATOM 515 C VAL A 38 27.053 9.075 3.615 1.00 0.00 C ATOM 516 O VAL A 38 28.105 8.961 4.252 1.00 0.00 O ATOM 517 CB VAL A 38 25.151 8.986 5.386 1.00 0.00 C ATOM 518 CG1 VAL A 38 24.815 10.487 5.201 1.00 0.00 C ATOM 519 CG2 VAL A 38 23.862 8.314 5.912 1.00 0.00 C ATOM 0 H VAL A 38 25.944 6.528 5.184 1.00 0.00 H new ATOM 0 HA VAL A 38 24.982 8.468 3.322 1.00 0.00 H new ATOM 0 HB VAL A 38 25.951 8.839 6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.405 10.885 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 38 25.722 11.033 4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 38 24.082 10.600 4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.525 8.829 6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.085 8.370 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.066 7.269 6.146 1.00 0.00 H new ATOM 529 N ALA A 39 26.976 9.780 2.466 1.00 0.00 N ATOM 530 CA ALA A 39 28.173 10.244 1.701 1.00 0.00 C ATOM 531 C ALA A 39 29.107 9.103 1.153 1.00 0.00 C ATOM 532 O ALA A 39 30.329 9.132 1.322 1.00 0.00 O ATOM 533 CB ALA A 39 28.907 11.370 2.466 1.00 0.00 C ATOM 0 H ALA A 39 26.090 10.047 2.037 1.00 0.00 H new ATOM 0 HA ALA A 39 27.797 10.677 0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.775 11.694 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.231 12.213 2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.232 10.998 3.437 1.00 0.00 H new ATOM 539 N GLY A 40 28.516 8.099 0.477 1.00 0.00 N ATOM 540 CA GLY A 40 29.237 6.851 0.096 1.00 0.00 C ATOM 541 C GLY A 40 29.794 6.711 -1.337 1.00 0.00 C ATOM 542 O GLY A 40 30.644 5.846 -1.558 1.00 0.00 O ATOM 0 H GLY A 40 27.541 8.120 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.072 6.731 0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.559 6.015 0.268 1.00 0.00 H new ATOM 546 N VAL A 41 29.323 7.503 -2.314 1.00 0.00 N ATOM 547 CA VAL A 41 29.783 7.400 -3.731 1.00 0.00 C ATOM 548 C VAL A 41 31.091 8.241 -3.922 1.00 0.00 C ATOM 549 O VAL A 41 31.041 9.462 -4.111 1.00 0.00 O ATOM 550 CB VAL A 41 28.633 7.785 -4.725 1.00 0.00 C ATOM 551 CG1 VAL A 41 29.069 7.697 -6.208 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.361 6.914 -4.591 1.00 0.00 C ATOM 0 H VAL A 41 28.622 8.227 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 41 30.034 6.366 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 41 28.404 8.813 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.233 7.974 -6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.902 8.377 -6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.379 6.677 -6.436 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.615 7.246 -5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.613 5.871 -4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 41 26.958 7.011 -3.583 1.00 0.00 H new ATOM 562 N ASP A 42 32.256 7.564 -3.930 1.00 0.00 N ATOM 563 CA ASP A 42 33.568 8.202 -4.235 1.00 0.00 C ATOM 564 C ASP A 42 33.654 8.616 -5.745 1.00 0.00 C ATOM 565 O ASP A 42 33.744 7.772 -6.642 1.00 0.00 O ATOM 566 CB ASP A 42 34.675 7.212 -3.786 1.00 0.00 C ATOM 567 CG ASP A 42 36.089 7.791 -3.800 1.00 0.00 C ATOM 568 OD1 ASP A 42 36.297 8.671 -2.782 1.00 0.00 O ATOM 569 OD2 ASP A 42 36.941 7.497 -4.631 1.00 0.00 O ATOM 0 H ASP A 42 32.323 6.566 -3.728 1.00 0.00 H new ATOM 0 HA ASP A 42 33.698 9.136 -3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.448 6.866 -2.778 1.00 0.00 H new ATOM 0 HB3 ASP A 42 34.648 6.338 -4.436 1.00 0.00 H new ATOM 574 N GLY A 43 33.529 9.925 -6.004 1.00 0.00 N ATOM 575 CA GLY A 43 33.102 10.431 -7.336 1.00 0.00 C ATOM 576 C GLY A 43 32.245 11.712 -7.254 1.00 0.00 C ATOM 577 O GLY A 43 32.607 12.729 -7.848 1.00 0.00 O ATOM 0 H GLY A 43 33.714 10.657 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.986 10.631 -7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.534 9.654 -7.848 1.00 0.00 H new ATOM 581 N PHE A 44 31.122 11.672 -6.513 1.00 0.00 N ATOM 582 CA PHE A 44 30.350 12.896 -6.169 1.00 0.00 C ATOM 583 C PHE A 44 30.972 13.626 -4.928 1.00 0.00 C ATOM 584 O PHE A 44 31.186 13.021 -3.872 1.00 0.00 O ATOM 585 CB PHE A 44 28.870 12.477 -5.941 1.00 0.00 C ATOM 586 CG PHE A 44 27.890 13.658 -5.813 1.00 0.00 C ATOM 587 CD1 PHE A 44 27.315 14.236 -6.950 1.00 0.00 C ATOM 588 CD2 PHE A 44 27.621 14.207 -4.556 1.00 0.00 C ATOM 589 CE1 PHE A 44 26.493 15.352 -6.831 1.00 0.00 C ATOM 590 CE2 PHE A 44 26.808 15.330 -4.438 1.00 0.00 C ATOM 591 CZ PHE A 44 26.243 15.901 -5.577 1.00 0.00 C ATOM 0 H PHE A 44 30.724 10.811 -6.138 1.00 0.00 H new ATOM 0 HA PHE A 44 30.392 13.619 -6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 44 28.552 11.844 -6.770 1.00 0.00 H new ATOM 0 HB3 PHE A 44 28.811 11.871 -5.037 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.510 13.814 -7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.047 13.757 -3.671 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.049 15.792 -7.712 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.615 15.758 -3.466 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.610 16.771 -5.486 1.00 0.00 H new ATOM 601 N ASN A 45 31.213 14.945 -5.045 1.00 0.00 N ATOM 602 CA ASN A 45 31.698 15.775 -3.909 1.00 0.00 C ATOM 603 C ASN A 45 30.505 16.239 -3.006 1.00 0.00 C ATOM 604 O ASN A 45 29.811 17.210 -3.319 1.00 0.00 O ATOM 605 CB ASN A 45 32.528 16.945 -4.505 1.00 0.00 C ATOM 606 CG ASN A 45 33.327 17.749 -3.476 1.00 0.00 C ATOM 607 OD1 ASN A 45 34.454 17.419 -3.127 1.00 0.00 O ATOM 608 ND2 ASN A 45 32.776 18.812 -2.945 1.00 0.00 N ATOM 0 H ASN A 45 31.082 15.466 -5.912 1.00 0.00 H new ATOM 0 HA ASN A 45 32.343 15.202 -3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 45 33.218 16.543 -5.247 1.00 0.00 H new ATOM 0 HB3 ASN A 45 31.853 17.621 -5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 45 33.285 19.356 -2.248 1.00 0.00 H new ATOM 0 HD22 ASN A 45 31.838 19.096 -3.228 1.00 0.00 H new ATOM 615 N TYR A 46 30.297 15.548 -1.876 1.00 0.00 N ATOM 616 CA TYR A 46 29.201 15.859 -0.910 1.00 0.00 C ATOM 617 C TYR A 46 29.512 17.095 0.011 1.00 0.00 C ATOM 618 O TYR A 46 30.677 17.452 0.224 1.00 0.00 O ATOM 619 CB TYR A 46 28.938 14.578 -0.059 1.00 0.00 C ATOM 620 CG TYR A 46 28.403 13.333 -0.797 1.00 0.00 C ATOM 621 CD1 TYR A 46 27.028 13.142 -0.966 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.291 12.362 -1.273 1.00 0.00 C ATOM 623 CE1 TYR A 46 26.550 11.990 -1.589 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.812 11.217 -1.904 1.00 0.00 C ATOM 625 CZ TYR A 46 27.442 11.024 -2.050 1.00 0.00 C ATOM 626 OH TYR A 46 26.987 9.853 -2.599 1.00 0.00 O ATOM 0 H TYR A 46 30.876 14.757 -1.594 1.00 0.00 H new ATOM 0 HA TYR A 46 28.312 16.142 -1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 46 29.871 14.303 0.433 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.227 14.835 0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 46 26.334 13.890 -0.613 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.355 12.502 -1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 46 25.487 11.846 -1.714 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.504 10.478 -2.280 1.00 0.00 H new ATOM 0 HH TYR A 46 26.121 10.009 -3.030 1.00 0.00 H new ATOM 636 N SER A 47 28.476 17.740 0.595 1.00 0.00 N ATOM 637 CA SER A 47 28.684 18.835 1.593 1.00 0.00 C ATOM 638 C SER A 47 29.223 18.334 2.979 1.00 0.00 C ATOM 639 O SER A 47 29.031 17.174 3.363 1.00 0.00 O ATOM 640 CB SER A 47 27.404 19.711 1.712 1.00 0.00 C ATOM 641 OG SER A 47 26.393 19.137 2.548 1.00 0.00 O ATOM 0 H SER A 47 27.497 17.531 0.401 1.00 0.00 H new ATOM 0 HA SER A 47 29.486 19.468 1.213 1.00 0.00 H new ATOM 0 HB2 SER A 47 27.678 20.689 2.107 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.991 19.874 0.716 1.00 0.00 H new ATOM 0 HG SER A 47 25.792 19.843 2.866 1.00 0.00 H new ATOM 647 N ASP A 48 29.892 19.225 3.739 1.00 0.00 N ATOM 648 CA ASP A 48 30.496 18.884 5.062 1.00 0.00 C ATOM 649 C ASP A 48 29.541 18.229 6.131 1.00 0.00 C ATOM 650 O ASP A 48 29.945 17.187 6.654 1.00 0.00 O ATOM 651 CB ASP A 48 31.246 20.134 5.599 1.00 0.00 C ATOM 652 CG ASP A 48 32.377 19.804 6.571 1.00 0.00 C ATOM 653 OD1 ASP A 48 33.510 19.496 6.218 1.00 0.00 O ATOM 654 OD2 ASP A 48 31.983 19.882 7.871 1.00 0.00 O ATOM 0 H ASP A 48 30.033 20.197 3.464 1.00 0.00 H new ATOM 0 HA ASP A 48 31.194 18.067 4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 48 31.655 20.691 4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 48 30.531 20.789 6.097 1.00 0.00 H new ATOM 659 N PRO A 49 28.303 18.714 6.461 1.00 0.00 N ATOM 660 CA PRO A 49 27.358 17.960 7.330 1.00 0.00 C ATOM 661 C PRO A 49 26.761 16.629 6.769 1.00 0.00 C ATOM 662 O PRO A 49 26.452 15.754 7.577 1.00 0.00 O ATOM 663 CB PRO A 49 26.310 19.021 7.702 1.00 0.00 C ATOM 664 CG PRO A 49 26.377 20.081 6.606 1.00 0.00 C ATOM 665 CD PRO A 49 27.767 19.999 5.979 1.00 0.00 C ATOM 0 HA PRO A 49 27.883 17.538 8.187 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.314 18.582 7.760 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.524 19.455 8.679 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.606 19.907 5.855 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.200 21.074 7.020 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.716 20.026 4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.394 20.834 6.290 1.00 0.00 H new ATOM 673 N MET A 50 26.639 16.421 5.440 1.00 0.00 N ATOM 674 CA MET A 50 26.437 15.055 4.862 1.00 0.00 C ATOM 675 C MET A 50 27.661 14.091 5.060 1.00 0.00 C ATOM 676 O MET A 50 27.470 12.960 5.515 1.00 0.00 O ATOM 677 CB MET A 50 25.954 15.191 3.391 1.00 0.00 C ATOM 678 CG MET A 50 25.601 13.848 2.707 1.00 0.00 C ATOM 679 SD MET A 50 24.449 14.056 1.338 1.00 0.00 S ATOM 680 CE MET A 50 22.883 14.183 2.214 1.00 0.00 C ATOM 0 H MET A 50 26.675 17.167 4.745 1.00 0.00 H new ATOM 0 HA MET A 50 25.652 14.553 5.427 1.00 0.00 H new ATOM 0 HB2 MET A 50 25.077 15.838 3.368 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.732 15.687 2.810 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.514 13.379 2.341 1.00 0.00 H new ATOM 0 HG3 MET A 50 25.167 13.171 3.443 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.065 13.943 1.534 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.876 13.484 3.051 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.757 15.199 2.588 1.00 0.00 H new ATOM 690 N LYS A 51 28.899 14.543 4.782 1.00 0.00 N ATOM 691 CA LYS A 51 30.150 13.821 5.173 1.00 0.00 C ATOM 692 C LYS A 51 30.316 13.519 6.704 1.00 0.00 C ATOM 693 O LYS A 51 30.645 12.387 7.068 1.00 0.00 O ATOM 694 CB LYS A 51 31.371 14.589 4.590 1.00 0.00 C ATOM 695 CG LYS A 51 31.459 14.640 3.042 1.00 0.00 C ATOM 696 CD LYS A 51 32.566 15.556 2.484 1.00 0.00 C ATOM 697 CE LYS A 51 33.994 15.026 2.695 1.00 0.00 C ATOM 698 NZ LYS A 51 34.968 15.939 2.069 1.00 0.00 N ATOM 0 H LYS A 51 29.072 15.415 4.282 1.00 0.00 H new ATOM 0 HA LYS A 51 30.081 12.823 4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.348 15.611 4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 51 32.282 14.129 4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.622 13.629 2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.499 14.974 2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.399 15.699 1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.482 16.536 2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 51 34.203 14.934 3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 51 34.088 14.029 2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 35.931 15.574 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 34.775 16.006 1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.886 16.882 2.500 1.00 0.00 H new ATOM 711 N ALA A 52 30.056 14.495 7.592 1.00 0.00 N ATOM 712 CA ALA A 52 30.029 14.277 9.063 1.00 0.00 C ATOM 713 C ALA A 52 28.819 13.500 9.690 1.00 0.00 C ATOM 714 O ALA A 52 28.950 13.041 10.827 1.00 0.00 O ATOM 715 CB ALA A 52 30.153 15.682 9.675 1.00 0.00 C ATOM 0 H ALA A 52 29.858 15.458 7.319 1.00 0.00 H new ATOM 0 HA ALA A 52 30.844 13.592 9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.141 15.608 10.762 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.089 16.138 9.353 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.317 16.298 9.344 1.00 0.00 H new ATOM 721 N HIS A 53 27.669 13.335 9.000 1.00 0.00 N ATOM 722 CA HIS A 53 26.504 12.554 9.517 1.00 0.00 C ATOM 723 C HIS A 53 26.803 11.039 9.791 1.00 0.00 C ATOM 724 O HIS A 53 26.572 10.572 10.910 1.00 0.00 O ATOM 725 CB HIS A 53 25.308 12.801 8.549 1.00 0.00 C ATOM 726 CG HIS A 53 23.945 12.253 8.983 1.00 0.00 C ATOM 727 ND1 HIS A 53 23.465 11.000 8.631 1.00 0.00 N ATOM 728 CD2 HIS A 53 22.966 12.969 9.689 1.00 0.00 C ATOM 729 CE1 HIS A 53 22.213 11.072 9.182 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.818 12.212 9.830 1.00 0.00 N ATOM 0 H HIS A 53 27.514 13.733 8.074 1.00 0.00 H new ATOM 0 HA HIS A 53 26.249 12.913 10.514 1.00 0.00 H new ATOM 0 HB2 HIS A 53 25.210 13.876 8.398 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.558 12.364 7.582 1.00 0.00 H new ATOM 0 HD2 HIS A 53 23.092 13.972 10.069 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.539 10.232 9.106 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.933 12.437 10.285 1.00 0.00 H new ATOM 738 N GLY A 54 27.316 10.290 8.796 1.00 0.00 N ATOM 739 CA GLY A 54 27.694 8.866 8.987 1.00 0.00 C ATOM 740 C GLY A 54 26.539 7.838 9.015 1.00 0.00 C ATOM 741 O GLY A 54 25.358 8.154 8.850 1.00 0.00 O ATOM 0 H GLY A 54 27.480 10.641 7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 54 28.379 8.586 8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.246 8.783 9.923 1.00 0.00 H new ATOM 745 N GLY A 55 26.911 6.565 9.204 1.00 0.00 N ATOM 746 CA GLY A 55 25.940 5.441 9.124 1.00 0.00 C ATOM 747 C GLY A 55 25.488 5.072 7.691 1.00 0.00 C ATOM 748 O GLY A 55 26.235 5.239 6.723 1.00 0.00 O ATOM 0 H GLY A 55 27.868 6.279 9.412 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.386 4.561 9.587 1.00 0.00 H new ATOM 0 HA3 GLY A 55 25.059 5.698 9.712 1.00 0.00 H new ATOM 752 N ASP A 56 24.264 4.539 7.569 1.00 0.00 N ATOM 753 CA ASP A 56 23.735 4.019 6.275 1.00 0.00 C ATOM 754 C ASP A 56 22.290 4.533 5.994 1.00 0.00 C ATOM 755 O ASP A 56 21.489 4.771 6.906 1.00 0.00 O ATOM 756 CB ASP A 56 23.771 2.462 6.238 1.00 0.00 C ATOM 757 CG ASP A 56 25.164 1.812 6.314 1.00 0.00 C ATOM 758 OD1 ASP A 56 25.877 1.870 7.311 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.521 1.167 5.161 1.00 0.00 O ATOM 0 H ASP A 56 23.610 4.451 8.347 1.00 0.00 H new ATOM 0 HA ASP A 56 24.386 4.400 5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.172 2.086 7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.288 2.130 5.319 1.00 0.00 H new ATOM 764 N TRP A 57 21.930 4.612 4.700 1.00 0.00 N ATOM 765 CA TRP A 57 20.548 4.934 4.255 1.00 0.00 C ATOM 766 C TRP A 57 19.564 3.730 4.388 1.00 0.00 C ATOM 767 O TRP A 57 19.127 3.112 3.413 1.00 0.00 O ATOM 768 CB TRP A 57 20.615 5.510 2.812 1.00 0.00 C ATOM 769 CG TRP A 57 21.128 6.949 2.698 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.305 7.347 2.033 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.614 8.100 3.275 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.531 8.728 2.172 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.486 9.168 2.958 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.514 8.308 4.149 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.284 10.443 3.530 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.347 9.569 4.717 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.223 10.620 4.418 1.00 0.00 C ATOM 0 H TRP A 57 22.581 4.456 3.930 1.00 0.00 H new ATOM 0 HA TRP A 57 20.130 5.690 4.920 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.257 4.865 2.212 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.618 5.463 2.374 1.00 0.00 H new ATOM 0 HD1 TRP A 57 22.951 6.677 1.486 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.295 9.279 1.780 1.00 0.00 H new ATOM 0 HE3 TRP A 57 18.823 7.507 4.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.939 11.266 3.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.528 9.739 5.400 1.00 0.00 H new ATOM 0 HH2 TRP A 57 20.075 11.584 4.883 1.00 0.00 H new ATOM 788 N THR A 58 19.180 3.448 5.639 1.00 0.00 N ATOM 789 CA THR A 58 18.117 2.466 5.989 1.00 0.00 C ATOM 790 C THR A 58 16.680 2.964 5.575 1.00 0.00 C ATOM 791 O THR A 58 16.488 4.179 5.431 1.00 0.00 O ATOM 792 CB THR A 58 18.195 2.162 7.523 1.00 0.00 C ATOM 793 OG1 THR A 58 17.967 3.330 8.304 1.00 0.00 O ATOM 794 CG2 THR A 58 19.514 1.536 8.013 1.00 0.00 C ATOM 0 H THR A 58 19.597 3.895 6.455 1.00 0.00 H new ATOM 0 HA THR A 58 18.290 1.550 5.424 1.00 0.00 H new ATOM 0 HB THR A 58 17.407 1.421 7.660 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.021 3.103 9.256 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.459 1.368 9.089 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.677 0.586 7.505 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.341 2.211 7.793 1.00 0.00 H new ATOM 802 N PRO A 59 15.624 2.112 5.400 1.00 0.00 N ATOM 803 CA PRO A 59 14.248 2.600 5.072 1.00 0.00 C ATOM 804 C PRO A 59 13.580 3.613 6.068 1.00 0.00 C ATOM 805 O PRO A 59 12.888 4.529 5.619 1.00 0.00 O ATOM 806 CB PRO A 59 13.476 1.287 4.836 1.00 0.00 C ATOM 807 CG PRO A 59 14.261 0.195 5.565 1.00 0.00 C ATOM 808 CD PRO A 59 15.722 0.643 5.502 1.00 0.00 C ATOM 0 HA PRO A 59 14.256 3.260 4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.459 1.359 5.221 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.399 1.066 3.771 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.925 0.090 6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.125 -0.775 5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.275 0.338 6.390 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.237 0.214 4.643 1.00 0.00 H new ATOM 816 N GLU A 60 13.850 3.513 7.385 1.00 0.00 N ATOM 817 CA GLU A 60 13.553 4.599 8.367 1.00 0.00 C ATOM 818 C GLU A 60 14.378 5.923 8.168 1.00 0.00 C ATOM 819 O GLU A 60 13.768 6.995 8.125 1.00 0.00 O ATOM 820 CB GLU A 60 13.685 3.990 9.790 1.00 0.00 C ATOM 821 CG GLU A 60 13.153 4.893 10.932 1.00 0.00 C ATOM 822 CD GLU A 60 13.270 4.258 12.314 1.00 0.00 C ATOM 823 OE1 GLU A 60 14.480 4.494 12.893 1.00 0.00 O ATOM 824 OE2 GLU A 60 12.375 3.609 12.846 1.00 0.00 O ATOM 0 H GLU A 60 14.277 2.687 7.805 1.00 0.00 H new ATOM 0 HA GLU A 60 12.534 4.948 8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.149 3.041 9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.735 3.768 9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.702 5.835 10.926 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.107 5.132 10.738 1.00 0.00 H new ATOM 831 N ALA A 61 15.723 5.875 8.024 1.00 0.00 N ATOM 832 CA ALA A 61 16.539 7.069 7.650 1.00 0.00 C ATOM 833 C ALA A 61 16.180 7.756 6.288 1.00 0.00 C ATOM 834 O ALA A 61 16.070 8.985 6.238 1.00 0.00 O ATOM 835 CB ALA A 61 18.021 6.654 7.715 1.00 0.00 C ATOM 0 H ALA A 61 16.272 5.026 8.160 1.00 0.00 H new ATOM 0 HA ALA A 61 16.306 7.855 8.369 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.649 7.504 7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.264 6.328 8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.201 5.836 7.017 1.00 0.00 H new ATOM 841 N LEU A 62 15.935 6.978 5.214 1.00 0.00 N ATOM 842 CA LEU A 62 15.290 7.482 3.968 1.00 0.00 C ATOM 843 C LEU A 62 13.855 8.075 4.156 1.00 0.00 C ATOM 844 O LEU A 62 13.619 9.175 3.657 1.00 0.00 O ATOM 845 CB LEU A 62 15.307 6.370 2.881 1.00 0.00 C ATOM 846 CG LEU A 62 16.691 6.001 2.282 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.597 4.691 1.487 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.248 7.110 1.368 1.00 0.00 C ATOM 0 H LEU A 62 16.174 5.987 5.178 1.00 0.00 H new ATOM 0 HA LEU A 62 15.889 8.333 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.871 5.468 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.655 6.682 2.065 1.00 0.00 H new ATOM 0 HG LEU A 62 17.376 5.881 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.575 4.446 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.270 3.887 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.879 4.809 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.217 6.804 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.558 7.281 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.363 8.030 1.941 1.00 0.00 H new ATOM 860 N GLN A 63 12.916 7.440 4.894 1.00 0.00 N ATOM 861 CA GLN A 63 11.640 8.108 5.298 1.00 0.00 C ATOM 862 C GLN A 63 11.780 9.451 6.092 1.00 0.00 C ATOM 863 O GLN A 63 11.065 10.404 5.770 1.00 0.00 O ATOM 864 CB GLN A 63 10.682 7.127 6.028 1.00 0.00 C ATOM 865 CG GLN A 63 9.913 6.146 5.102 1.00 0.00 C ATOM 866 CD GLN A 63 8.497 5.822 5.585 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.636 6.696 5.661 1.00 0.00 O ATOM 868 NE2 GLN A 63 8.205 4.588 5.916 1.00 0.00 N ATOM 0 H GLN A 63 13.008 6.479 5.222 1.00 0.00 H new ATOM 0 HA GLN A 63 11.201 8.405 4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.260 6.546 6.747 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.957 7.708 6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.856 6.575 4.101 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.480 5.219 5.020 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.918 3.861 5.854 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.265 4.355 6.236 1.00 0.00 H new ATOM 877 N GLU A 64 12.692 9.561 7.075 1.00 0.00 N ATOM 878 CA GLU A 64 13.043 10.863 7.717 1.00 0.00 C ATOM 879 C GLU A 64 13.633 11.930 6.730 1.00 0.00 C ATOM 880 O GLU A 64 13.070 13.022 6.612 1.00 0.00 O ATOM 881 CB GLU A 64 13.975 10.606 8.938 1.00 0.00 C ATOM 882 CG GLU A 64 13.367 9.835 10.139 1.00 0.00 C ATOM 883 CD GLU A 64 12.278 10.584 10.906 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.501 11.356 11.832 1.00 0.00 O ATOM 885 OE2 GLU A 64 11.028 10.299 10.446 1.00 0.00 O ATOM 0 H GLU A 64 13.208 8.765 7.451 1.00 0.00 H new ATOM 0 HA GLU A 64 12.112 11.312 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.847 10.054 8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.332 11.570 9.300 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.952 8.895 9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.169 9.582 10.832 1.00 0.00 H new ATOM 892 N PHE A 65 14.728 11.619 6.006 1.00 0.00 N ATOM 893 CA PHE A 65 15.325 12.537 4.990 1.00 0.00 C ATOM 894 C PHE A 65 14.415 12.904 3.769 1.00 0.00 C ATOM 895 O PHE A 65 14.404 14.064 3.359 1.00 0.00 O ATOM 896 CB PHE A 65 16.687 11.920 4.577 1.00 0.00 C ATOM 897 CG PHE A 65 17.603 12.826 3.736 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.362 13.826 4.353 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.701 12.646 2.351 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.193 14.644 3.593 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.536 13.465 1.596 1.00 0.00 C ATOM 902 CZ PHE A 65 19.273 14.471 2.215 1.00 0.00 C ATOM 0 H PHE A 65 15.226 10.734 6.101 1.00 0.00 H new ATOM 0 HA PHE A 65 15.454 13.517 5.450 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.223 11.631 5.481 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.495 11.006 4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.303 13.964 5.423 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.127 11.870 1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.777 15.415 4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.612 13.320 0.529 1.00 0.00 H new ATOM 0 HZ PHE A 65 19.907 15.117 1.625 1.00 0.00 H new ATOM 912 N LEU A 66 13.637 11.968 3.200 1.00 0.00 N ATOM 913 CA LEU A 66 12.585 12.308 2.198 1.00 0.00 C ATOM 914 C LEU A 66 11.325 13.047 2.765 1.00 0.00 C ATOM 915 O LEU A 66 10.707 13.793 2.006 1.00 0.00 O ATOM 916 CB LEU A 66 12.203 11.059 1.354 1.00 0.00 C ATOM 917 CG LEU A 66 13.341 10.324 0.591 1.00 0.00 C ATOM 918 CD1 LEU A 66 12.775 9.126 -0.190 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.130 11.246 -0.352 1.00 0.00 C ATOM 0 H LEU A 66 13.708 10.972 3.408 1.00 0.00 H new ATOM 0 HA LEU A 66 13.043 13.052 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.726 10.339 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.453 11.364 0.624 1.00 0.00 H new ATOM 0 HG LEU A 66 14.044 9.972 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.584 8.622 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.305 8.429 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.035 9.477 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.909 10.672 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.455 11.669 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.586 12.051 0.224 1.00 0.00 H new ATOM 931 N THR A 67 10.961 12.919 4.060 1.00 0.00 N ATOM 932 CA THR A 67 9.988 13.836 4.732 1.00 0.00 C ATOM 933 C THR A 67 10.473 15.329 4.792 1.00 0.00 C ATOM 934 O THR A 67 9.717 16.210 4.378 1.00 0.00 O ATOM 935 CB THR A 67 9.597 13.274 6.136 1.00 0.00 C ATOM 936 OG1 THR A 67 9.125 11.934 6.047 1.00 0.00 O ATOM 937 CG2 THR A 67 8.462 14.040 6.825 1.00 0.00 C ATOM 0 H THR A 67 11.324 12.188 4.672 1.00 0.00 H new ATOM 0 HA THR A 67 9.091 13.864 4.114 1.00 0.00 H new ATOM 0 HB THR A 67 10.519 13.366 6.710 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.815 11.321 6.377 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.252 13.586 7.794 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.759 15.079 6.968 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.567 14.000 6.204 1.00 0.00 H new ATOM 945 N ASN A 68 11.696 15.624 5.286 1.00 0.00 N ATOM 946 CA ASN A 68 12.328 16.966 5.132 1.00 0.00 C ATOM 947 C ASN A 68 13.894 16.799 5.100 1.00 0.00 C ATOM 948 O ASN A 68 14.462 16.452 6.144 1.00 0.00 O ATOM 949 CB ASN A 68 11.844 17.934 6.248 1.00 0.00 C ATOM 950 CG ASN A 68 12.247 19.404 6.035 1.00 0.00 C ATOM 951 OD1 ASN A 68 13.401 19.747 5.794 1.00 0.00 O ATOM 952 ND2 ASN A 68 11.326 20.330 6.140 1.00 0.00 N ATOM 0 H ASN A 68 12.271 14.954 5.797 1.00 0.00 H new ATOM 0 HA ASN A 68 12.023 17.418 4.188 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.758 17.874 6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.244 17.595 7.204 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.575 21.312 6.022 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.360 20.069 6.340 1.00 0.00 H new ATOM 959 N PRO A 69 14.642 17.053 3.983 1.00 0.00 N ATOM 960 CA PRO A 69 16.113 16.805 3.939 1.00 0.00 C ATOM 961 C PRO A 69 17.025 17.824 4.688 1.00 0.00 C ATOM 962 O PRO A 69 17.910 17.412 5.443 1.00 0.00 O ATOM 963 CB PRO A 69 16.376 16.691 2.427 1.00 0.00 C ATOM 964 CG PRO A 69 15.286 17.519 1.751 1.00 0.00 C ATOM 965 CD PRO A 69 14.064 17.383 2.662 1.00 0.00 C ATOM 0 HA PRO A 69 16.388 15.914 4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.367 17.067 2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.337 15.652 2.101 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.588 18.561 1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.074 17.149 0.748 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.487 18.307 2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.391 16.600 2.313 1.00 0.00 H new ATOM 973 N LYS A 70 16.797 19.133 4.495 1.00 0.00 N ATOM 974 CA LYS A 70 17.525 20.219 5.222 1.00 0.00 C ATOM 975 C LYS A 70 17.242 20.350 6.759 1.00 0.00 C ATOM 976 O LYS A 70 18.141 20.771 7.490 1.00 0.00 O ATOM 977 CB LYS A 70 17.311 21.560 4.468 1.00 0.00 C ATOM 978 CG LYS A 70 18.019 21.655 3.092 1.00 0.00 C ATOM 979 CD LYS A 70 17.737 22.983 2.366 1.00 0.00 C ATOM 980 CE LYS A 70 18.475 23.064 1.020 1.00 0.00 C ATOM 981 NZ LYS A 70 18.132 24.316 0.320 1.00 0.00 N ATOM 0 H LYS A 70 16.105 19.482 3.833 1.00 0.00 H new ATOM 0 HA LYS A 70 18.576 19.930 5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.242 21.711 4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.664 22.375 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.094 21.545 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.694 20.826 2.463 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.665 23.086 2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.043 23.816 2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.551 23.015 1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.208 22.208 0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.638 24.356 -0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.107 24.347 0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.408 25.129 0.907 1.00 0.00 H new ATOM 994 N ALA A 71 16.057 19.965 7.275 1.00 0.00 N ATOM 995 CA ALA A 71 15.868 19.695 8.729 1.00 0.00 C ATOM 996 C ALA A 71 16.651 18.467 9.311 1.00 0.00 C ATOM 997 O ALA A 71 17.191 18.569 10.415 1.00 0.00 O ATOM 998 CB ALA A 71 14.354 19.566 8.977 1.00 0.00 C ATOM 0 H ALA A 71 15.215 19.832 6.715 1.00 0.00 H new ATOM 0 HA ALA A 71 16.305 20.534 9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 71 14.174 19.367 10.034 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.858 20.494 8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.956 18.745 8.381 1.00 0.00 H new ATOM 1004 N VAL A 72 16.728 17.328 8.590 1.00 0.00 N ATOM 1005 CA VAL A 72 17.537 16.139 9.012 1.00 0.00 C ATOM 1006 C VAL A 72 19.081 16.388 8.887 1.00 0.00 C ATOM 1007 O VAL A 72 19.787 16.271 9.893 1.00 0.00 O ATOM 1008 CB VAL A 72 17.012 14.844 8.292 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.881 13.581 8.510 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.576 14.465 8.725 1.00 0.00 C ATOM 0 H VAL A 72 16.239 17.196 7.704 1.00 0.00 H new ATOM 0 HA VAL A 72 17.393 15.972 10.079 1.00 0.00 H new ATOM 0 HB VAL A 72 17.052 15.127 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.440 12.739 7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.888 13.763 8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.928 13.351 9.574 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.263 13.564 8.198 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.556 14.282 9.799 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.896 15.282 8.483 1.00 0.00 H new ATOM 1020 N VAL A 73 19.610 16.713 7.690 1.00 0.00 N ATOM 1021 CA VAL A 73 21.037 17.119 7.525 1.00 0.00 C ATOM 1022 C VAL A 73 21.061 18.675 7.374 1.00 0.00 C ATOM 1023 O VAL A 73 20.803 19.213 6.290 1.00 0.00 O ATOM 1024 CB VAL A 73 21.736 16.370 6.338 1.00 0.00 C ATOM 1025 CG1 VAL A 73 23.221 16.778 6.186 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.709 14.826 6.443 1.00 0.00 C ATOM 0 H VAL A 73 19.078 16.705 6.819 1.00 0.00 H new ATOM 0 HA VAL A 73 21.619 16.830 8.400 1.00 0.00 H new ATOM 0 HB VAL A 73 21.146 16.675 5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.664 16.234 5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.286 17.849 5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.760 16.538 7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.215 14.394 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.218 14.514 7.355 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.675 14.481 6.468 1.00 0.00 H new ATOM 1036 N LYS A 74 21.406 19.399 8.456 1.00 0.00 N ATOM 1037 CA LYS A 74 21.446 20.888 8.445 1.00 0.00 C ATOM 1038 C LYS A 74 22.693 21.425 7.664 1.00 0.00 C ATOM 1039 O LYS A 74 23.825 21.377 8.153 1.00 0.00 O ATOM 1040 CB LYS A 74 21.349 21.379 9.916 1.00 0.00 C ATOM 1041 CG LYS A 74 21.115 22.896 10.113 1.00 0.00 C ATOM 1042 CD LYS A 74 19.721 23.386 9.663 1.00 0.00 C ATOM 1043 CE LYS A 74 19.509 24.881 9.948 1.00 0.00 C ATOM 1044 NZ LYS A 74 18.173 25.295 9.478 1.00 0.00 N ATOM 0 H LYS A 74 21.662 18.984 9.352 1.00 0.00 H new ATOM 0 HA LYS A 74 20.597 21.297 7.898 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.537 20.840 10.405 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.270 21.104 10.431 1.00 0.00 H new ATOM 0 HG2 LYS A 74 21.250 23.139 11.167 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.877 23.445 9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.600 23.201 8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.952 22.808 10.176 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.605 25.074 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.279 25.469 9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.035 26.307 9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 18.097 25.126 8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.444 24.744 9.975 1.00 0.00 H new ATOM 1057 N GLY A 75 22.463 21.884 6.422 1.00 0.00 N ATOM 1058 CA GLY A 75 23.553 22.123 5.430 1.00 0.00 C ATOM 1059 C GLY A 75 23.782 21.067 4.313 1.00 0.00 C ATOM 1060 O GLY A 75 24.865 21.043 3.714 1.00 0.00 O ATOM 0 H GLY A 75 21.531 22.101 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.358 23.080 4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.487 22.230 5.982 1.00 0.00 H new ATOM 1064 N THR A 76 22.784 20.234 3.971 1.00 0.00 N ATOM 1065 CA THR A 76 22.772 19.493 2.680 1.00 0.00 C ATOM 1066 C THR A 76 22.419 20.435 1.489 1.00 0.00 C ATOM 1067 O THR A 76 21.445 21.192 1.529 1.00 0.00 O ATOM 1068 CB THR A 76 21.871 18.223 2.731 1.00 0.00 C ATOM 1069 OG1 THR A 76 22.033 17.464 1.538 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.357 18.437 2.901 1.00 0.00 C ATOM 0 H THR A 76 21.974 20.052 4.563 1.00 0.00 H new ATOM 0 HA THR A 76 23.785 19.128 2.507 1.00 0.00 H new ATOM 0 HB THR A 76 22.218 17.723 3.635 1.00 0.00 H new ATOM 0 HG1 THR A 76 21.465 16.666 1.578 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.853 17.471 2.920 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.167 18.964 3.836 1.00 0.00 H new ATOM 0 HG23 THR A 76 19.977 19.028 2.067 1.00 0.00 H new ATOM 1078 N LYS A 77 23.187 20.326 0.398 1.00 0.00 N ATOM 1079 CA LYS A 77 22.820 20.966 -0.905 1.00 0.00 C ATOM 1080 C LYS A 77 21.658 20.303 -1.737 1.00 0.00 C ATOM 1081 O LYS A 77 21.405 20.729 -2.868 1.00 0.00 O ATOM 1082 CB LYS A 77 24.124 21.202 -1.719 1.00 0.00 C ATOM 1083 CG LYS A 77 24.935 19.951 -2.127 1.00 0.00 C ATOM 1084 CD LYS A 77 26.143 20.286 -3.015 1.00 0.00 C ATOM 1085 CE LYS A 77 26.984 19.035 -3.294 1.00 0.00 C ATOM 1086 NZ LYS A 77 28.099 19.359 -4.199 1.00 0.00 N ATOM 0 H LYS A 77 24.065 19.807 0.375 1.00 0.00 H new ATOM 0 HA LYS A 77 22.348 21.917 -0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.863 21.746 -2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.775 21.851 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 77 25.281 19.440 -1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.282 19.258 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 77 25.799 20.715 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.759 21.041 -2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 77 27.372 18.633 -2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.359 18.260 -3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 28.878 18.688 -4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 27.776 19.293 -5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 28.431 20.326 -4.008 1.00 0.00 H new ATOM 1099 N MET A 78 20.905 19.328 -1.183 1.00 0.00 N ATOM 1100 CA MET A 78 19.662 18.800 -1.800 1.00 0.00 C ATOM 1101 C MET A 78 18.490 19.831 -1.683 1.00 0.00 C ATOM 1102 O MET A 78 17.773 19.879 -0.676 1.00 0.00 O ATOM 1103 CB MET A 78 19.373 17.404 -1.172 1.00 0.00 C ATOM 1104 CG MET A 78 18.049 16.760 -1.638 1.00 0.00 C ATOM 1105 SD MET A 78 18.137 14.938 -1.855 1.00 0.00 S ATOM 1106 CE MET A 78 16.524 14.594 -1.049 1.00 0.00 C ATOM 0 H MET A 78 21.139 18.883 -0.296 1.00 0.00 H new ATOM 0 HA MET A 78 19.779 18.658 -2.874 1.00 0.00 H new ATOM 0 HB2 MET A 78 20.196 16.732 -1.415 1.00 0.00 H new ATOM 0 HB3 MET A 78 19.353 17.504 -0.087 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.270 16.991 -0.912 1.00 0.00 H new ATOM 0 HG3 MET A 78 17.750 17.214 -2.583 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.312 13.526 -1.100 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.565 14.906 -0.006 1.00 0.00 H new ATOM 0 HE3 MET A 78 15.736 15.145 -1.562 1.00 0.00 H new ATOM 1116 N ALA A 79 18.283 20.629 -2.749 1.00 0.00 N ATOM 1117 CA ALA A 79 17.176 21.620 -2.813 1.00 0.00 C ATOM 1118 C ALA A 79 15.783 20.977 -3.138 1.00 0.00 C ATOM 1119 O ALA A 79 15.222 21.113 -4.229 1.00 0.00 O ATOM 1120 CB ALA A 79 17.629 22.704 -3.811 1.00 0.00 C ATOM 0 H ALA A 79 18.868 20.611 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 79 16.995 22.069 -1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.852 23.464 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.549 23.166 -3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.806 22.250 -4.786 1.00 0.00 H new ATOM 1126 N PHE A 80 15.240 20.271 -2.136 1.00 0.00 N ATOM 1127 CA PHE A 80 13.946 19.552 -2.224 1.00 0.00 C ATOM 1128 C PHE A 80 13.151 19.830 -0.909 1.00 0.00 C ATOM 1129 O PHE A 80 13.665 19.632 0.196 1.00 0.00 O ATOM 1130 CB PHE A 80 14.252 18.042 -2.462 1.00 0.00 C ATOM 1131 CG PHE A 80 13.018 17.144 -2.647 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.310 17.154 -3.854 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.559 16.351 -1.590 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.147 16.401 -3.993 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.396 15.598 -1.730 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.685 15.632 -2.928 1.00 0.00 C ATOM 0 H PHE A 80 15.689 20.178 -1.225 1.00 0.00 H new ATOM 0 HA PHE A 80 13.326 19.891 -3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.883 17.951 -3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.830 17.668 -1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.667 17.749 -4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.109 16.323 -0.661 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.604 16.413 -4.926 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.045 14.988 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.774 15.061 -3.031 1.00 0.00 H new ATOM 1146 N ALA A 81 11.883 20.263 -1.022 1.00 0.00 N ATOM 1147 CA ALA A 81 11.029 20.543 0.165 1.00 0.00 C ATOM 1148 C ALA A 81 10.656 19.301 1.044 1.00 0.00 C ATOM 1149 O ALA A 81 10.910 19.320 2.253 1.00 0.00 O ATOM 1150 CB ALA A 81 9.800 21.328 -0.337 1.00 0.00 C ATOM 0 H ALA A 81 11.421 20.429 -1.916 1.00 0.00 H new ATOM 0 HA ALA A 81 11.609 21.137 0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.145 21.555 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.127 22.257 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.258 20.727 -1.067 1.00 0.00 H new ATOM 1156 N GLY A 82 10.072 18.241 0.456 1.00 0.00 N ATOM 1157 CA GLY A 82 9.684 17.028 1.216 1.00 0.00 C ATOM 1158 C GLY A 82 8.480 16.243 0.653 1.00 0.00 C ATOM 1159 O GLY A 82 7.596 16.780 -0.020 1.00 0.00 O ATOM 0 H GLY A 82 9.857 18.195 -0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.543 16.358 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.456 17.321 2.241 1.00 0.00 H new ATOM 1163 N LEU A 83 8.428 14.955 1.009 1.00 0.00 N ATOM 1164 CA LEU A 83 7.266 14.068 0.742 1.00 0.00 C ATOM 1165 C LEU A 83 6.458 13.859 2.076 1.00 0.00 C ATOM 1166 O LEU A 83 6.829 12.966 2.852 1.00 0.00 O ATOM 1167 CB LEU A 83 7.767 12.715 0.149 1.00 0.00 C ATOM 1168 CG LEU A 83 8.412 12.712 -1.261 1.00 0.00 C ATOM 1169 CD1 LEU A 83 8.917 11.302 -1.619 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.451 13.196 -2.360 1.00 0.00 C ATOM 0 H LEU A 83 9.192 14.485 1.495 1.00 0.00 H new ATOM 0 HA LEU A 83 6.599 14.524 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.494 12.298 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.919 12.030 0.126 1.00 0.00 H new ATOM 0 HG LEU A 83 9.246 13.413 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.367 11.318 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.661 10.986 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.081 10.603 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.959 13.172 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.578 12.544 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.134 14.216 -2.143 1.00 0.00 H new ATOM 1182 N PRO A 84 5.357 14.605 2.399 1.00 0.00 N ATOM 1183 CA PRO A 84 4.555 14.366 3.639 1.00 0.00 C ATOM 1184 C PRO A 84 3.718 13.042 3.707 1.00 0.00 C ATOM 1185 O PRO A 84 3.611 12.445 4.782 1.00 0.00 O ATOM 1186 CB PRO A 84 3.710 15.652 3.730 1.00 0.00 C ATOM 1187 CG PRO A 84 3.567 16.147 2.289 1.00 0.00 C ATOM 1188 CD PRO A 84 4.898 15.783 1.631 1.00 0.00 C ATOM 0 HA PRO A 84 5.201 14.189 4.499 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.735 15.451 4.175 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.198 16.399 4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.729 15.666 1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.386 17.221 2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.771 15.548 0.574 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.613 16.604 1.691 1.00 0.00 H new ATOM 1196 N LYS A 85 3.177 12.561 2.574 1.00 0.00 N ATOM 1197 CA LYS A 85 2.454 11.264 2.489 1.00 0.00 C ATOM 1198 C LYS A 85 3.411 10.029 2.571 1.00 0.00 C ATOM 1199 O LYS A 85 4.382 9.910 1.812 1.00 0.00 O ATOM 1200 CB LYS A 85 1.646 11.236 1.161 1.00 0.00 C ATOM 1201 CG LYS A 85 0.392 12.146 1.128 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.361 12.128 -0.222 1.00 0.00 C ATOM 1203 CE LYS A 85 0.298 12.906 -1.379 1.00 0.00 C ATOM 1204 NZ LYS A 85 0.167 14.368 -1.205 1.00 0.00 N ATOM 0 H LYS A 85 3.225 13.057 1.684 1.00 0.00 H new ATOM 0 HA LYS A 85 1.787 11.189 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.308 11.529 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.335 10.210 0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.291 11.835 1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.692 13.170 1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.483 11.090 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.360 12.533 -0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.353 12.641 -1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.160 12.610 -2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.623 14.855 -2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.840 14.625 -1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.626 14.654 -0.317 1.00 0.00 H new ATOM 1217 N ILE A 86 3.084 9.074 3.463 1.00 0.00 N ATOM 1218 CA ILE A 86 3.781 7.751 3.542 1.00 0.00 C ATOM 1219 C ILE A 86 3.769 6.889 2.235 1.00 0.00 C ATOM 1220 O ILE A 86 4.820 6.348 1.890 1.00 0.00 O ATOM 1221 CB ILE A 86 3.341 6.963 4.830 1.00 0.00 C ATOM 1222 CG1 ILE A 86 4.258 5.729 5.085 1.00 0.00 C ATOM 1223 CG2 ILE A 86 1.844 6.549 4.845 1.00 0.00 C ATOM 1224 CD1 ILE A 86 4.210 5.129 6.499 1.00 0.00 C ATOM 0 H ILE A 86 2.337 9.184 4.149 1.00 0.00 H new ATOM 0 HA ILE A 86 4.841 7.988 3.639 1.00 0.00 H new ATOM 0 HB ILE A 86 3.462 7.671 5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.989 4.949 4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.287 6.016 4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.625 6.011 5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.219 7.440 4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.636 5.905 3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.888 4.278 6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.513 5.884 7.225 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.195 4.800 6.720 1.00 0.00 H new ATOM 1236 N GLU A 87 2.641 6.780 1.504 1.00 0.00 N ATOM 1237 CA GLU A 87 2.589 6.074 0.188 1.00 0.00 C ATOM 1238 C GLU A 87 3.639 6.519 -0.886 1.00 0.00 C ATOM 1239 O GLU A 87 4.305 5.662 -1.467 1.00 0.00 O ATOM 1240 CB GLU A 87 1.128 6.030 -0.344 1.00 0.00 C ATOM 1241 CG GLU A 87 0.469 7.374 -0.762 1.00 0.00 C ATOM 1242 CD GLU A 87 -0.925 7.210 -1.363 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.894 7.117 -0.405 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -1.136 7.166 -2.571 1.00 0.00 O ATOM 0 H GLU A 87 1.745 7.171 1.796 1.00 0.00 H new ATOM 0 HA GLU A 87 2.917 5.055 0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.105 5.363 -1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.504 5.576 0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.405 8.025 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.111 7.874 -1.487 1.00 0.00 H new ATOM 1251 N ASP A 88 3.851 7.832 -1.090 1.00 0.00 N ATOM 1252 CA ASP A 88 4.951 8.359 -1.955 1.00 0.00 C ATOM 1253 C ASP A 88 6.394 7.944 -1.511 1.00 0.00 C ATOM 1254 O ASP A 88 7.172 7.487 -2.350 1.00 0.00 O ATOM 1255 CB ASP A 88 4.830 9.905 -2.090 1.00 0.00 C ATOM 1256 CG ASP A 88 3.548 10.424 -2.750 1.00 0.00 C ATOM 1257 OD1 ASP A 88 2.447 10.353 -2.211 1.00 0.00 O ATOM 1258 OD2 ASP A 88 3.768 10.975 -3.983 1.00 0.00 O ATOM 0 H ASP A 88 3.276 8.562 -0.669 1.00 0.00 H new ATOM 0 HA ASP A 88 4.815 7.887 -2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.906 10.344 -1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.683 10.267 -2.664 1.00 0.00 H new ATOM 1263 N ARG A 89 6.732 8.058 -0.213 1.00 0.00 N ATOM 1264 CA ARG A 89 8.007 7.518 0.347 1.00 0.00 C ATOM 1265 C ARG A 89 8.131 5.955 0.280 1.00 0.00 C ATOM 1266 O ARG A 89 9.123 5.449 -0.246 1.00 0.00 O ATOM 1267 CB ARG A 89 8.224 8.031 1.800 1.00 0.00 C ATOM 1268 CG ARG A 89 8.124 9.561 2.040 1.00 0.00 C ATOM 1269 CD ARG A 89 8.555 10.054 3.436 1.00 0.00 C ATOM 1270 NE ARG A 89 7.782 9.408 4.539 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.719 9.920 5.155 1.00 0.00 C ATOM 1272 NH1 ARG A 89 6.207 11.091 4.886 1.00 0.00 N ATOM 1273 NH2 ARG A 89 6.155 9.198 6.076 1.00 0.00 N ATOM 0 H ARG A 89 6.143 8.520 0.479 1.00 0.00 H new ATOM 0 HA ARG A 89 8.800 7.898 -0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.493 7.541 2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.210 7.702 2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.735 10.067 1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.092 9.869 1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.617 9.853 3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.425 11.135 3.491 1.00 0.00 H new ATOM 0 HE ARG A 89 8.098 8.489 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.625 11.676 4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.389 11.420 5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.529 8.277 6.302 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.338 9.553 6.573 1.00 0.00 H new ATOM 1287 N ALA A 90 7.134 5.202 0.785 1.00 0.00 N ATOM 1288 CA ALA A 90 7.095 3.717 0.731 1.00 0.00 C ATOM 1289 C ALA A 90 7.107 3.060 -0.688 1.00 0.00 C ATOM 1290 O ALA A 90 7.913 2.154 -0.917 1.00 0.00 O ATOM 1291 CB ALA A 90 5.859 3.310 1.557 1.00 0.00 C ATOM 0 H ALA A 90 6.321 5.607 1.249 1.00 0.00 H new ATOM 0 HA ALA A 90 8.030 3.334 1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.766 2.224 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.971 3.669 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.965 3.749 1.114 1.00 0.00 H new ATOM 1297 N ASN A 91 6.278 3.524 -1.648 1.00 0.00 N ATOM 1298 CA ASN A 91 6.387 3.107 -3.079 1.00 0.00 C ATOM 1299 C ASN A 91 7.773 3.456 -3.744 1.00 0.00 C ATOM 1300 O ASN A 91 8.368 2.596 -4.398 1.00 0.00 O ATOM 1301 CB ASN A 91 5.230 3.737 -3.910 1.00 0.00 C ATOM 1302 CG ASN A 91 3.776 3.370 -3.574 1.00 0.00 C ATOM 1303 OD1 ASN A 91 3.433 2.265 -3.169 1.00 0.00 O ATOM 1304 ND2 ASN A 91 2.843 4.260 -3.810 1.00 0.00 N ATOM 0 H ASN A 91 5.524 4.187 -1.467 1.00 0.00 H new ATOM 0 HA ASN A 91 6.311 2.020 -3.082 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.321 4.820 -3.830 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.400 3.479 -4.955 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.863 4.024 -3.656 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.097 5.188 -4.148 1.00 0.00 H new ATOM 1311 N LEU A 92 8.302 4.690 -3.570 1.00 0.00 N ATOM 1312 CA LEU A 92 9.681 5.065 -4.006 1.00 0.00 C ATOM 1313 C LEU A 92 10.853 4.248 -3.366 1.00 0.00 C ATOM 1314 O LEU A 92 11.714 3.766 -4.106 1.00 0.00 O ATOM 1315 CB LEU A 92 9.825 6.602 -3.828 1.00 0.00 C ATOM 1316 CG LEU A 92 11.161 7.255 -4.268 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.513 6.984 -5.738 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.099 8.771 -4.041 1.00 0.00 C ATOM 0 H LEU A 92 7.793 5.455 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 92 9.786 4.787 -5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.018 7.081 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.669 6.834 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 92 11.942 6.801 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.459 7.469 -5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.604 5.910 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.726 7.381 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.040 9.224 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.282 9.193 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.930 8.974 -2.983 1.00 0.00 H new ATOM 1330 N ILE A 93 10.885 4.050 -2.034 1.00 0.00 N ATOM 1331 CA ILE A 93 11.848 3.112 -1.365 1.00 0.00 C ATOM 1332 C ILE A 93 11.722 1.630 -1.886 1.00 0.00 C ATOM 1333 O ILE A 93 12.754 1.030 -2.186 1.00 0.00 O ATOM 1334 CB ILE A 93 11.796 3.292 0.199 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.223 4.723 0.666 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.665 2.257 0.965 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.749 5.120 2.076 1.00 0.00 C ATOM 0 H ILE A 93 10.257 4.524 -1.385 1.00 0.00 H new ATOM 0 HA ILE A 93 12.863 3.383 -1.657 1.00 0.00 H new ATOM 0 HB ILE A 93 10.746 3.129 0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.311 4.789 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.838 5.451 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.585 2.437 2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.315 1.250 0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.706 2.357 0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.095 6.128 2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.660 5.093 2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.156 4.421 2.807 1.00 0.00 H new ATOM 1349 N ALA A 94 10.510 1.069 -2.074 1.00 0.00 N ATOM 1350 CA ALA A 94 10.303 -0.184 -2.855 1.00 0.00 C ATOM 1351 C ALA A 94 10.857 -0.230 -4.325 1.00 0.00 C ATOM 1352 O ALA A 94 11.510 -1.211 -4.692 1.00 0.00 O ATOM 1353 CB ALA A 94 8.795 -0.454 -2.817 1.00 0.00 C ATOM 0 H ALA A 94 9.649 1.462 -1.695 1.00 0.00 H new ATOM 0 HA ALA A 94 10.905 -0.960 -2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.574 -1.364 -3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.473 -0.575 -1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.264 0.385 -3.267 1.00 0.00 H new ATOM 1359 N TYR A 95 10.652 0.819 -5.148 1.00 0.00 N ATOM 1360 CA TYR A 95 11.388 1.002 -6.438 1.00 0.00 C ATOM 1361 C TYR A 95 12.954 1.054 -6.326 1.00 0.00 C ATOM 1362 O TYR A 95 13.638 0.356 -7.079 1.00 0.00 O ATOM 1363 CB TYR A 95 10.783 2.244 -7.156 1.00 0.00 C ATOM 1364 CG TYR A 95 11.368 2.604 -8.535 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.411 1.662 -9.571 1.00 0.00 C ATOM 1366 CD2 TYR A 95 11.897 3.881 -8.752 1.00 0.00 C ATOM 1367 CE1 TYR A 95 12.011 1.979 -10.786 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.466 4.205 -9.980 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.534 3.252 -10.989 1.00 0.00 C ATOM 1370 OH TYR A 95 13.189 3.539 -12.155 1.00 0.00 O ATOM 0 H TYR A 95 9.981 1.561 -4.950 1.00 0.00 H new ATOM 0 HA TYR A 95 11.240 0.103 -7.037 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.712 2.080 -7.274 1.00 0.00 H new ATOM 0 HB3 TYR A 95 10.903 3.107 -6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.976 0.684 -9.426 1.00 0.00 H new ATOM 0 HD2 TYR A 95 11.864 4.618 -7.963 1.00 0.00 H new ATOM 0 HE1 TYR A 95 12.070 1.238 -11.570 1.00 0.00 H new ATOM 0 HE2 TYR A 95 12.855 5.198 -10.149 1.00 0.00 H new ATOM 0 HH TYR A 95 13.706 2.757 -12.441 1.00 0.00 H new ATOM 1380 N LEU A 96 13.514 1.843 -5.394 1.00 0.00 N ATOM 1381 CA LEU A 96 14.974 1.837 -5.090 1.00 0.00 C ATOM 1382 C LEU A 96 15.541 0.505 -4.476 1.00 0.00 C ATOM 1383 O LEU A 96 16.685 0.163 -4.773 1.00 0.00 O ATOM 1384 CB LEU A 96 15.290 3.065 -4.187 1.00 0.00 C ATOM 1385 CG LEU A 96 14.997 4.483 -4.759 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.085 5.547 -3.652 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.941 4.847 -5.915 1.00 0.00 C ATOM 0 H LEU A 96 12.980 2.503 -4.828 1.00 0.00 H new ATOM 0 HA LEU A 96 15.492 1.905 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.725 2.954 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.347 3.023 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 96 13.981 4.462 -5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.877 6.530 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.355 5.324 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.086 5.542 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.699 5.844 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.972 4.830 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.823 4.125 -6.723 1.00 0.00 H new ATOM 1399 N GLU A 97 14.764 -0.266 -3.685 1.00 0.00 N ATOM 1400 CA GLU A 97 15.032 -1.714 -3.414 1.00 0.00 C ATOM 1401 C GLU A 97 15.031 -2.650 -4.673 1.00 0.00 C ATOM 1402 O GLU A 97 15.890 -3.529 -4.768 1.00 0.00 O ATOM 1403 CB GLU A 97 14.033 -2.248 -2.348 1.00 0.00 C ATOM 1404 CG GLU A 97 14.236 -1.706 -0.913 1.00 0.00 C ATOM 1405 CD GLU A 97 13.194 -2.190 0.089 1.00 0.00 C ATOM 1406 OE1 GLU A 97 13.481 -3.438 0.561 1.00 0.00 O ATOM 1407 OE2 GLU A 97 12.218 -1.525 0.427 1.00 0.00 O ATOM 0 H GLU A 97 13.932 0.088 -3.212 1.00 0.00 H new ATOM 0 HA GLU A 97 16.056 -1.748 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.021 -2.004 -2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.105 -3.335 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.225 -1.999 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.218 -0.617 -0.942 1.00 0.00 H new ATOM 1414 N GLY A 98 14.106 -2.462 -5.636 1.00 0.00 N ATOM 1415 CA GLY A 98 14.220 -3.064 -6.995 1.00 0.00 C ATOM 1416 C GLY A 98 15.476 -2.711 -7.832 1.00 0.00 C ATOM 1417 O GLY A 98 16.127 -3.620 -8.351 1.00 0.00 O ATOM 0 H GLY A 98 13.267 -1.898 -5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.182 -4.148 -6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.341 -2.770 -7.568 1.00 0.00 H new ATOM 1421 N GLN A 99 15.828 -1.418 -7.960 1.00 0.00 N ATOM 1422 CA GLN A 99 17.101 -0.995 -8.617 1.00 0.00 C ATOM 1423 C GLN A 99 18.307 -0.951 -7.614 1.00 0.00 C ATOM 1424 O GLN A 99 18.749 0.120 -7.176 1.00 0.00 O ATOM 1425 CB GLN A 99 16.880 0.333 -9.403 1.00 0.00 C ATOM 1426 CG GLN A 99 15.888 0.223 -10.600 1.00 0.00 C ATOM 1427 CD GLN A 99 16.063 1.191 -11.779 1.00 0.00 C ATOM 1428 OE1 GLN A 99 15.169 1.950 -12.142 1.00 0.00 O ATOM 1429 NE2 GLN A 99 17.182 1.156 -12.464 1.00 0.00 N ATOM 0 H GLN A 99 15.258 -0.643 -7.622 1.00 0.00 H new ATOM 0 HA GLN A 99 17.387 -1.752 -9.347 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.512 1.091 -8.712 1.00 0.00 H new ATOM 0 HB3 GLN A 99 17.842 0.683 -9.777 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.950 -0.793 -10.991 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.879 0.353 -10.209 1.00 0.00 H new ATOM 0 HE21 GLN A 99 17.936 0.532 -12.178 1.00 0.00 H new ATOM 0 HE22 GLN A 99 17.298 1.753 -13.283 1.00 0.00 H new ATOM 1438 N GLN A 100 18.858 -2.139 -7.293 1.00 0.00 N ATOM 1439 CA GLN A 100 20.106 -2.281 -6.497 1.00 0.00 C ATOM 1440 C GLN A 100 21.121 -3.167 -7.256 1.00 0.00 C ATOM 1441 O GLN A 100 20.844 -4.362 -7.517 1.00 0.00 O ATOM 1442 CB GLN A 100 19.852 -2.804 -5.054 1.00 0.00 C ATOM 1443 CG GLN A 100 19.000 -1.875 -4.146 1.00 0.00 C ATOM 1444 CD GLN A 100 19.094 -2.090 -2.632 1.00 0.00 C ATOM 1445 OE1 GLN A 100 18.171 -2.557 -1.973 1.00 0.00 O ATOM 1446 NE2 GLN A 100 20.178 -1.691 -2.011 1.00 0.00 N ATOM 1447 OXT GLN A 100 22.220 -2.660 -7.582 1.00 0.00 O ATOM 0 H GLN A 100 18.454 -3.032 -7.576 1.00 0.00 H new ATOM 0 HA GLN A 100 20.530 -1.284 -6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 100 19.357 -3.773 -5.119 1.00 0.00 H new ATOM 0 HB3 GLN A 100 20.815 -2.970 -4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 100 19.284 -0.844 -4.358 1.00 0.00 H new ATOM 0 HG3 GLN A 100 17.955 -1.985 -4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 100 20.956 -1.300 -2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 100 20.243 -1.772 -0.996 1.00 0.00 H new