USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 826 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 97 LYS NZ :NH3+ 132:sc= 1.07 (180deg=-1.58) USER MOD Set 1.2: A 99 ASN : amide:sc= 0.978 K(o=2,f=-9!) USER MOD Set 2.1: A 20 SER OG : rot -97:sc= 0.0242 USER MOD Set 2.2: A 46 CYS SG : rot -18:sc= -0.028 USER MOD Set 3.1: A 31 GLN : amide:sc= 1.22 K(o=2,f=0.72) USER MOD Set 3.2: A 33 ASN : amide:sc= 0.0279 X(o=2,f=1.5) USER MOD Set 3.3: A 35 SER OG : rot 174:sc= 0.754 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -154:sc= 0.00769 (180deg=-0.0158) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0091) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.687 K(o=0.69,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.808 K(o=0.81,f=-0.27) USER MOD Single : A 22 GLN : amide:sc= -0.0173 X(o=-0.017,f=-0.017) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 28 TYR OH : rot 15:sc= 0.579 USER MOD Single : A 32 LYS NZ :NH3+ -94:sc= 1.25 (180deg=-0.429) USER MOD Single : A 36 LYS NZ :NH3+ -121:sc= 1.2 (180deg=-0.0619) USER MOD Single : A 41 THR OG1 : rot -74:sc= 0.935 USER MOD Single : A 47 ASN : amide:sc= -1.12 K(o=-1.1,f=-5.8!) USER MOD Single : A 51 CYS SG : rot 77:sc= 0.535 USER MOD Single : A 53 GLN : amide:sc= 0.0274 X(o=0.027,f=-0.14) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.077 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.0773 X(o=0.077,f=-0.13) USER MOD Single : A 66 SER OG : rot -78:sc= 1.05 USER MOD Single : A 67 ASN : amide:sc= -0.659 K(o=-0.66,f=-1.5) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.63! USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.6!) USER MOD Single : A 80 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -151:sc= 1.22 (180deg=-0.0673) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00325) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -90:sc= 0.852 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 17.082 8.780 11.003 1.00 0.00 N ATOM 2 CA MET A 0 17.333 8.284 12.361 1.00 0.00 C ATOM 3 C MET A 0 16.682 6.906 12.475 1.00 0.00 C ATOM 4 O MET A 0 16.975 6.041 11.648 1.00 0.00 O ATOM 5 CB MET A 0 16.862 9.296 13.422 1.00 0.00 C ATOM 6 CG MET A 0 17.824 10.480 13.575 1.00 0.00 C ATOM 7 SD MET A 0 19.346 10.025 14.440 1.00 0.00 S ATOM 8 CE MET A 0 20.141 11.632 14.588 1.00 0.00 C ATOM 0 H1 MET A 0 17.828 9.453 10.736 1.00 0.00 H new ATOM 0 H2 MET A 0 17.081 7.982 10.337 1.00 0.00 H new ATOM 0 H3 MET A 0 16.159 9.257 10.973 1.00 0.00 H new ATOM 0 HA MET A 0 18.400 8.173 12.552 1.00 0.00 H new ATOM 0 HB2 MET A 0 15.874 9.668 13.151 1.00 0.00 H new ATOM 0 HB3 MET A 0 16.759 8.790 14.382 1.00 0.00 H new ATOM 0 HG2 MET A 0 18.073 10.872 12.589 1.00 0.00 H new ATOM 0 HG3 MET A 0 17.325 11.282 14.120 1.00 0.00 H new ATOM 0 HE1 MET A 0 21.096 11.520 15.102 1.00 0.00 H new ATOM 0 HE2 MET A 0 20.310 12.047 13.594 1.00 0.00 H new ATOM 0 HE3 MET A 0 19.499 12.304 15.157 1.00 0.00 H new ATOM 20 N ALA A 1 15.804 6.680 13.452 1.00 0.00 N ATOM 21 CA ALA A 1 15.112 5.414 13.631 1.00 0.00 C ATOM 22 C ALA A 1 13.768 5.477 12.916 1.00 0.00 C ATOM 23 O ALA A 1 13.070 6.492 13.019 1.00 0.00 O ATOM 24 CB ALA A 1 14.928 5.148 15.127 1.00 0.00 C ATOM 0 H ALA A 1 15.554 7.383 14.147 1.00 0.00 H new ATOM 0 HA ALA A 1 15.694 4.597 13.205 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.409 4.200 15.267 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.903 5.103 15.611 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.340 5.952 15.570 1.00 0.00 H new ATOM 30 N ARG A 2 13.400 4.414 12.195 1.00 0.00 N ATOM 31 CA ARG A 2 12.141 4.331 11.468 1.00 0.00 C ATOM 32 C ARG A 2 10.967 4.096 12.412 1.00 0.00 C ATOM 33 O ARG A 2 10.185 3.168 12.226 1.00 0.00 O ATOM 34 CB ARG A 2 12.202 3.238 10.383 1.00 0.00 C ATOM 35 CG ARG A 2 12.527 1.843 10.945 1.00 0.00 C ATOM 36 CD ARG A 2 11.624 0.722 10.412 1.00 0.00 C ATOM 37 NE ARG A 2 10.264 0.815 10.972 1.00 0.00 N ATOM 38 CZ ARG A 2 9.580 -0.182 11.555 1.00 0.00 C ATOM 39 NH1 ARG A 2 9.986 -1.445 11.452 1.00 0.00 N ATOM 40 NH2 ARG A 2 8.488 0.093 12.272 1.00 0.00 N ATOM 0 H ARG A 2 13.979 3.579 12.102 1.00 0.00 H new ATOM 0 HA ARG A 2 11.981 5.290 10.975 1.00 0.00 H new ATOM 0 HB2 ARG A 2 11.245 3.199 9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 2 12.956 3.510 9.645 1.00 0.00 H new ATOM 0 HG2 ARG A 2 13.564 1.602 10.710 1.00 0.00 H new ATOM 0 HG3 ARG A 2 12.446 1.874 12.032 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.576 0.778 9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 2 12.057 -0.246 10.663 1.00 0.00 H new ATOM 0 HE ARG A 2 9.799 1.721 10.911 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.829 -1.668 10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.454 -2.190 11.902 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.176 1.058 12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.966 -0.662 12.716 1.00 0.00 H new ATOM 54 N ILE A 3 10.741 4.984 13.372 1.00 0.00 N ATOM 55 CA ILE A 3 9.664 4.812 14.341 1.00 0.00 C ATOM 56 C ILE A 3 8.272 5.063 13.738 1.00 0.00 C ATOM 57 O ILE A 3 7.310 5.247 14.476 1.00 0.00 O ATOM 58 CB ILE A 3 9.929 5.659 15.594 1.00 0.00 C ATOM 59 CG1 ILE A 3 9.917 7.161 15.269 1.00 0.00 C ATOM 60 CG2 ILE A 3 11.255 5.239 16.241 1.00 0.00 C ATOM 61 CD1 ILE A 3 9.840 7.982 16.552 1.00 0.00 C ATOM 0 H ILE A 3 11.291 5.833 13.501 1.00 0.00 H new ATOM 0 HA ILE A 3 9.657 3.765 14.643 1.00 0.00 H new ATOM 0 HB ILE A 3 9.124 5.480 16.307 1.00 0.00 H new ATOM 0 HG12 ILE A 3 10.816 7.426 14.713 1.00 0.00 H new ATOM 0 HG13 ILE A 3 9.066 7.394 14.629 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.435 5.845 17.129 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.205 4.187 16.523 1.00 0.00 H new ATOM 0 HG23 ILE A 3 12.069 5.386 15.531 1.00 0.00 H new ATOM 0 HD11 ILE A 3 9.832 9.044 16.305 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.928 7.729 17.092 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.705 7.761 17.178 1.00 0.00 H new ATOM 73 N ASP A 4 8.154 5.059 12.403 1.00 0.00 N ATOM 74 CA ASP A 4 6.895 4.850 11.706 1.00 0.00 C ATOM 75 C ASP A 4 6.333 3.523 12.226 1.00 0.00 C ATOM 76 O ASP A 4 6.980 2.484 12.032 1.00 0.00 O ATOM 77 CB ASP A 4 7.199 4.776 10.202 1.00 0.00 C ATOM 78 CG ASP A 4 6.031 4.347 9.327 1.00 0.00 C ATOM 79 OD1 ASP A 4 4.976 3.908 9.835 1.00 0.00 O ATOM 80 OD2 ASP A 4 6.215 4.423 8.095 1.00 0.00 O ATOM 0 H ASP A 4 8.946 5.204 11.776 1.00 0.00 H new ATOM 0 HA ASP A 4 6.172 5.649 11.872 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.542 5.755 9.868 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.023 4.080 10.048 1.00 0.00 H new ATOM 85 N PRO A 5 5.193 3.527 12.930 1.00 0.00 N ATOM 86 CA PRO A 5 4.651 2.322 13.524 1.00 0.00 C ATOM 87 C PRO A 5 3.875 1.522 12.472 1.00 0.00 C ATOM 88 O PRO A 5 2.726 1.138 12.688 1.00 0.00 O ATOM 89 CB PRO A 5 3.804 2.818 14.696 1.00 0.00 C ATOM 90 CG PRO A 5 3.352 4.224 14.292 1.00 0.00 C ATOM 91 CD PRO A 5 4.402 4.696 13.287 1.00 0.00 C ATOM 0 HA PRO A 5 5.406 1.624 13.887 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.950 2.164 14.870 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.382 2.840 15.620 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.357 4.207 13.847 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.304 4.888 15.155 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.928 5.127 12.405 1.00 0.00 H new ATOM 0 HD3 PRO A 5 5.032 5.472 13.721 1.00 0.00 H new ATOM 99 N THR A 6 4.508 1.267 11.330 1.00 0.00 N ATOM 100 CA THR A 6 3.957 0.509 10.225 1.00 0.00 C ATOM 101 C THR A 6 2.616 1.101 9.754 1.00 0.00 C ATOM 102 O THR A 6 1.650 0.363 9.513 1.00 0.00 O ATOM 103 CB THR A 6 3.872 -0.979 10.612 1.00 0.00 C ATOM 104 OG1 THR A 6 4.971 -1.367 11.430 1.00 0.00 O ATOM 105 CG2 THR A 6 3.894 -1.824 9.338 1.00 0.00 C ATOM 0 H THR A 6 5.455 1.598 11.148 1.00 0.00 H new ATOM 0 HA THR A 6 4.621 0.580 9.364 1.00 0.00 H new ATOM 0 HB THR A 6 2.949 -1.134 11.171 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.888 -2.316 11.661 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.834 -2.880 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.044 -1.558 8.710 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.820 -1.637 8.794 1.00 0.00 H new ATOM 113 N LYS A 7 2.536 2.431 9.635 1.00 0.00 N ATOM 114 CA LYS A 7 1.298 3.114 9.256 1.00 0.00 C ATOM 115 C LYS A 7 1.495 4.562 8.800 1.00 0.00 C ATOM 116 O LYS A 7 0.540 5.189 8.339 1.00 0.00 O ATOM 117 CB LYS A 7 0.244 3.012 10.378 1.00 0.00 C ATOM 118 CG LYS A 7 0.718 3.507 11.752 1.00 0.00 C ATOM 119 CD LYS A 7 0.031 2.725 12.887 1.00 0.00 C ATOM 120 CE LYS A 7 -1.459 3.044 13.073 1.00 0.00 C ATOM 121 NZ LYS A 7 -1.680 4.411 13.581 1.00 0.00 N ATOM 0 H LYS A 7 3.323 3.059 9.798 1.00 0.00 H new ATOM 0 HA LYS A 7 0.926 2.587 8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.636 3.585 10.084 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.069 1.972 10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.799 3.394 11.830 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.501 4.570 11.854 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.139 1.658 12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.553 2.933 13.821 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.975 2.925 12.120 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.898 2.326 13.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.695 4.557 13.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.155 4.540 14.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.346 5.101 12.878 1.00 0.00 H new ATOM 135 N LYS A 8 2.679 5.156 8.941 1.00 0.00 N ATOM 136 CA LYS A 8 2.865 6.565 8.623 1.00 0.00 C ATOM 137 C LYS A 8 3.071 6.775 7.119 1.00 0.00 C ATOM 138 O LYS A 8 3.993 7.486 6.717 1.00 0.00 O ATOM 139 CB LYS A 8 4.026 7.145 9.444 1.00 0.00 C ATOM 140 CG LYS A 8 3.771 8.638 9.694 1.00 0.00 C ATOM 141 CD LYS A 8 5.029 9.504 9.709 1.00 0.00 C ATOM 142 CE LYS A 8 6.158 8.878 10.531 1.00 0.00 C ATOM 143 NZ LYS A 8 7.161 9.879 10.929 1.00 0.00 N ATOM 0 H LYS A 8 3.520 4.683 9.272 1.00 0.00 H new ATOM 0 HA LYS A 8 1.957 7.104 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.117 6.616 10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.967 7.009 8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.097 9.012 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.257 8.751 10.649 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.372 9.660 8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.787 10.485 10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.742 8.406 11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.639 8.092 9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.910 9.418 11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.576 10.311 10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.706 10.616 11.505 1.00 0.00 H new ATOM 157 N GLY A 9 2.230 6.200 6.264 1.00 0.00 N ATOM 158 CA GLY A 9 2.486 6.244 4.839 1.00 0.00 C ATOM 159 C GLY A 9 1.601 5.241 4.124 1.00 0.00 C ATOM 160 O GLY A 9 1.900 4.048 4.134 1.00 0.00 O ATOM 0 H GLY A 9 1.379 5.706 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.296 7.247 4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.535 6.022 4.642 1.00 0.00 H new ATOM 164 N ARG A 10 0.500 5.713 3.541 1.00 0.00 N ATOM 165 CA ARG A 10 -0.408 4.967 2.672 1.00 0.00 C ATOM 166 C ARG A 10 -1.266 3.964 3.447 1.00 0.00 C ATOM 167 O ARG A 10 -2.489 3.963 3.309 1.00 0.00 O ATOM 168 CB ARG A 10 0.331 4.287 1.500 1.00 0.00 C ATOM 169 CG ARG A 10 1.038 5.291 0.576 1.00 0.00 C ATOM 170 CD ARG A 10 0.100 5.849 -0.498 1.00 0.00 C ATOM 171 NE ARG A 10 -0.199 4.838 -1.526 1.00 0.00 N ATOM 172 CZ ARG A 10 -1.318 4.759 -2.259 1.00 0.00 C ATOM 173 NH1 ARG A 10 -2.263 5.689 -2.137 1.00 0.00 N ATOM 174 NH2 ARG A 10 -1.467 3.725 -3.080 1.00 0.00 N ATOM 0 H ARG A 10 0.201 6.680 3.670 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.087 5.704 2.242 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.066 3.587 1.898 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.382 3.704 0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.435 6.113 1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.888 4.805 0.097 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.828 6.185 -0.035 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.557 6.721 -0.965 1.00 0.00 H new ATOM 0 HE ARG A 10 0.515 4.129 -1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.136 6.463 -1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.114 5.628 -2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.738 3.014 -3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.310 3.642 -3.648 1.00 0.00 H new ATOM 188 N ARG A 11 -0.652 3.059 4.206 1.00 0.00 N ATOM 189 CA ARG A 11 -1.359 2.066 4.976 1.00 0.00 C ATOM 190 C ARG A 11 -2.154 2.735 6.093 1.00 0.00 C ATOM 191 O ARG A 11 -1.689 3.703 6.696 1.00 0.00 O ATOM 192 CB ARG A 11 -0.376 1.042 5.550 1.00 0.00 C ATOM 193 CG ARG A 11 -1.042 -0.321 5.729 1.00 0.00 C ATOM 194 CD ARG A 11 -1.065 -1.100 4.404 1.00 0.00 C ATOM 195 NE ARG A 11 0.085 -2.029 4.355 1.00 0.00 N ATOM 196 CZ ARG A 11 1.261 -1.864 3.715 1.00 0.00 C ATOM 197 NH1 ARG A 11 1.399 -1.083 2.646 1.00 0.00 N ATOM 198 NH2 ARG A 11 2.348 -2.488 4.150 1.00 0.00 N ATOM 0 H ARG A 11 0.362 3.003 4.297 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.057 1.543 4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.483 0.946 4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.002 1.394 6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.505 -0.896 6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.060 -0.187 6.094 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.998 -1.656 4.313 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.023 -0.408 3.563 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.025 -2.903 4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.594 -0.577 2.277 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.310 -0.990 2.196 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.295 -3.093 4.969 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.237 -2.362 3.665 1.00 0.00 H new ATOM 212 N ASN A 12 -3.334 2.194 6.390 1.00 0.00 N ATOM 213 CA ASN A 12 -4.171 2.646 7.501 1.00 0.00 C ATOM 214 C ASN A 12 -5.511 1.922 7.506 1.00 0.00 C ATOM 215 O ASN A 12 -5.832 1.191 8.436 1.00 0.00 O ATOM 216 CB ASN A 12 -4.429 4.167 7.468 1.00 0.00 C ATOM 217 CG ASN A 12 -4.043 4.819 8.785 1.00 0.00 C ATOM 218 OD1 ASN A 12 -4.895 5.285 9.532 1.00 0.00 O ATOM 219 ND2 ASN A 12 -2.748 4.930 9.050 1.00 0.00 N ATOM 0 H ASN A 12 -3.740 1.422 5.861 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.616 2.411 8.409 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.859 4.618 6.655 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -5.482 4.355 7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.440 5.413 9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.061 4.532 8.410 1.00 0.00 H new ATOM 226 N ARG A 13 -6.304 2.161 6.459 1.00 0.00 N ATOM 227 CA ARG A 13 -7.715 1.756 6.429 1.00 0.00 C ATOM 228 C ARG A 13 -7.822 0.240 6.349 1.00 0.00 C ATOM 229 O ARG A 13 -8.718 -0.400 6.895 1.00 0.00 O ATOM 230 CB ARG A 13 -8.433 2.402 5.232 1.00 0.00 C ATOM 231 CG ARG A 13 -7.897 1.975 3.856 1.00 0.00 C ATOM 232 CD ARG A 13 -8.498 2.809 2.720 1.00 0.00 C ATOM 233 NE ARG A 13 -9.780 2.239 2.260 1.00 0.00 N ATOM 234 CZ ARG A 13 -10.028 1.697 1.052 1.00 0.00 C ATOM 235 NH1 ARG A 13 -9.162 1.858 0.046 1.00 0.00 N ATOM 236 NH2 ARG A 13 -11.137 0.999 0.840 1.00 0.00 N ATOM 0 H ARG A 13 -5.991 2.637 5.613 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.195 2.096 7.347 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.494 2.156 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.352 3.486 5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.812 2.074 3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.123 0.922 3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.653 3.833 3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.797 2.853 1.887 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.555 2.257 2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.306 2.394 0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.357 1.444 -0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.810 0.869 1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.316 0.592 -0.078 1.00 0.00 H new ATOM 250 N PHE A 14 -6.896 -0.277 5.559 1.00 0.00 N ATOM 251 CA PHE A 14 -6.603 -1.643 5.250 1.00 0.00 C ATOM 252 C PHE A 14 -5.177 -1.833 5.746 1.00 0.00 C ATOM 253 O PHE A 14 -4.345 -0.947 5.513 1.00 0.00 O ATOM 254 CB PHE A 14 -6.676 -1.733 3.726 1.00 0.00 C ATOM 255 CG PHE A 14 -5.997 -2.937 3.132 1.00 0.00 C ATOM 256 CD1 PHE A 14 -4.612 -2.898 2.883 1.00 0.00 C ATOM 257 CD2 PHE A 14 -6.706 -4.141 3.005 1.00 0.00 C ATOM 258 CE1 PHE A 14 -3.932 -4.074 2.546 1.00 0.00 C ATOM 259 CE2 PHE A 14 -6.026 -5.316 2.654 1.00 0.00 C ATOM 260 CZ PHE A 14 -4.648 -5.271 2.389 1.00 0.00 C ATOM 0 H PHE A 14 -6.257 0.343 5.062 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.265 -2.389 5.690 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.724 -1.740 3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.229 -0.834 3.301 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.076 -1.963 2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.772 -4.163 3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.861 -4.060 2.407 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.560 -6.252 2.588 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.135 -6.164 2.062 1.00 0.00 H new ATOM 270 N LYS A 15 -4.900 -2.951 6.405 1.00 0.00 N ATOM 271 CA LYS A 15 -3.585 -3.343 6.870 1.00 0.00 C ATOM 272 C LYS A 15 -3.606 -4.865 7.005 1.00 0.00 C ATOM 273 O LYS A 15 -4.614 -5.414 7.441 1.00 0.00 O ATOM 274 CB LYS A 15 -3.256 -2.627 8.188 1.00 0.00 C ATOM 275 CG LYS A 15 -4.378 -2.740 9.237 1.00 0.00 C ATOM 276 CD LYS A 15 -3.869 -3.216 10.604 1.00 0.00 C ATOM 277 CE LYS A 15 -3.343 -4.660 10.525 1.00 0.00 C ATOM 278 NZ LYS A 15 -3.167 -5.270 11.855 1.00 0.00 N ATOM 0 H LYS A 15 -5.620 -3.635 6.638 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.798 -3.054 6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.338 -3.044 8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.063 -1.574 7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.860 -1.769 9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.138 -3.433 8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.075 -2.555 10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.674 -3.158 11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.037 -5.264 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.390 -4.668 9.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.811 -6.241 11.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.485 -4.711 12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.080 -5.289 12.352 1.00 0.00 H new ATOM 292 N TRP A 16 -2.537 -5.537 6.594 1.00 0.00 N ATOM 293 CA TRP A 16 -2.542 -6.985 6.456 1.00 0.00 C ATOM 294 C TRP A 16 -2.591 -7.668 7.826 1.00 0.00 C ATOM 295 O TRP A 16 -1.814 -7.327 8.721 1.00 0.00 O ATOM 296 CB TRP A 16 -1.312 -7.426 5.662 1.00 0.00 C ATOM 297 CG TRP A 16 -1.156 -6.808 4.305 1.00 0.00 C ATOM 298 CD1 TRP A 16 -0.348 -5.772 3.999 1.00 0.00 C ATOM 299 CD2 TRP A 16 -1.736 -7.232 3.039 1.00 0.00 C ATOM 300 NE1 TRP A 16 -0.373 -5.530 2.646 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.192 -6.423 1.998 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.617 -8.259 2.653 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.502 -6.623 0.649 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.909 -8.490 1.298 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.372 -7.663 0.298 1.00 0.00 C ATOM 0 H TRP A 16 -1.650 -5.096 6.349 1.00 0.00 H new ATOM 0 HA TRP A 16 -3.438 -7.286 5.913 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.423 -7.197 6.249 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -1.347 -8.509 5.545 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.235 -5.212 4.715 1.00 0.00 H new ATOM 0 HE1 TRP A 16 0.148 -4.785 2.184 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.076 -8.879 3.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.077 -5.985 -0.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.553 -9.312 1.023 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.629 -7.828 -0.738 1.00 0.00 H new ATOM 316 N GLY A 17 -3.496 -8.626 7.996 1.00 0.00 N ATOM 317 CA GLY A 17 -3.646 -9.433 9.197 1.00 0.00 C ATOM 318 C GLY A 17 -2.718 -10.656 9.193 1.00 0.00 C ATOM 319 O GLY A 17 -1.897 -10.809 8.285 1.00 0.00 O ATOM 0 H GLY A 17 -4.171 -8.869 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.433 -8.821 10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.681 -9.764 9.283 1.00 0.00 H new ATOM 323 N PRO A 18 -2.833 -11.538 10.199 1.00 0.00 N ATOM 324 CA PRO A 18 -1.901 -12.629 10.421 1.00 0.00 C ATOM 325 C PRO A 18 -1.972 -13.714 9.359 1.00 0.00 C ATOM 326 O PRO A 18 -0.946 -14.278 8.983 1.00 0.00 O ATOM 327 CB PRO A 18 -2.262 -13.212 11.787 1.00 0.00 C ATOM 328 CG PRO A 18 -3.739 -12.875 11.947 1.00 0.00 C ATOM 329 CD PRO A 18 -3.869 -11.540 11.218 1.00 0.00 C ATOM 0 HA PRO A 18 -0.880 -12.249 10.375 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.091 -14.288 11.820 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.662 -12.769 12.582 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.377 -13.640 11.505 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.022 -12.791 12.996 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.857 -11.435 10.770 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.741 -10.705 11.907 1.00 0.00 H new ATOM 337 N ALA A 19 -3.182 -14.026 8.913 1.00 0.00 N ATOM 338 CA ALA A 19 -3.443 -15.130 8.003 1.00 0.00 C ATOM 339 C ALA A 19 -3.165 -14.659 6.589 1.00 0.00 C ATOM 340 O ALA A 19 -2.647 -15.400 5.768 1.00 0.00 O ATOM 341 CB ALA A 19 -4.881 -15.624 8.146 1.00 0.00 C ATOM 0 H ALA A 19 -4.021 -13.510 9.178 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.791 -15.970 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.052 -16.450 7.455 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.049 -15.965 9.168 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.570 -14.811 7.917 1.00 0.00 H new ATOM 347 N SER A 20 -3.436 -13.391 6.314 1.00 0.00 N ATOM 348 CA SER A 20 -3.014 -12.750 5.092 1.00 0.00 C ATOM 349 C SER A 20 -1.506 -12.917 4.875 1.00 0.00 C ATOM 350 O SER A 20 -1.067 -12.983 3.731 1.00 0.00 O ATOM 351 CB SER A 20 -3.413 -11.281 5.154 1.00 0.00 C ATOM 352 OG SER A 20 -4.763 -11.155 5.569 1.00 0.00 O ATOM 0 H SER A 20 -3.959 -12.780 6.942 1.00 0.00 H new ATOM 0 HA SER A 20 -3.505 -13.220 4.240 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.761 -10.749 5.847 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.282 -10.820 4.175 1.00 0.00 H new ATOM 0 HG SER A 20 -5.339 -11.055 4.782 1.00 0.00 H new ATOM 358 N GLN A 21 -0.705 -13.010 5.948 1.00 0.00 N ATOM 359 CA GLN A 21 0.710 -13.305 5.768 1.00 0.00 C ATOM 360 C GLN A 21 0.907 -14.626 5.061 1.00 0.00 C ATOM 361 O GLN A 21 1.854 -14.722 4.310 1.00 0.00 O ATOM 362 CB GLN A 21 1.534 -13.357 7.055 1.00 0.00 C ATOM 363 CG GLN A 21 1.373 -12.104 7.895 1.00 0.00 C ATOM 364 CD GLN A 21 1.535 -10.829 7.074 1.00 0.00 C ATOM 365 OE1 GLN A 21 2.577 -10.586 6.473 1.00 0.00 O ATOM 366 NE2 GLN A 21 0.502 -10.004 7.003 1.00 0.00 N ATOM 0 H GLN A 21 -1.006 -12.889 6.915 1.00 0.00 H new ATOM 0 HA GLN A 21 1.070 -12.464 5.175 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.233 -14.225 7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.586 -13.491 6.804 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.389 -12.108 8.364 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.109 -12.111 8.699 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.358 -10.219 7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.566 -9.154 6.443 1.00 0.00 H new ATOM 375 N GLN A 22 0.078 -15.634 5.316 1.00 0.00 N ATOM 376 CA GLN A 22 0.217 -16.930 4.672 1.00 0.00 C ATOM 377 C GLN A 22 0.171 -16.720 3.163 1.00 0.00 C ATOM 378 O GLN A 22 1.096 -17.087 2.452 1.00 0.00 O ATOM 379 CB GLN A 22 -0.829 -17.884 5.286 1.00 0.00 C ATOM 380 CG GLN A 22 -0.906 -19.319 4.761 1.00 0.00 C ATOM 381 CD GLN A 22 -1.991 -19.474 3.700 1.00 0.00 C ATOM 382 OE1 GLN A 22 -1.698 -19.555 2.516 1.00 0.00 O ATOM 383 NE2 GLN A 22 -3.258 -19.481 4.108 1.00 0.00 N ATOM 0 H GLN A 22 -0.702 -15.574 5.970 1.00 0.00 H new ATOM 0 HA GLN A 22 1.174 -17.420 4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.643 -17.933 6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.811 -17.429 5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.058 -19.605 4.340 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.107 -19.999 5.589 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.474 -19.412 5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.013 -19.555 3.426 1.00 0.00 H new ATOM 392 N ILE A 23 -0.850 -16.016 2.694 1.00 0.00 N ATOM 393 CA ILE A 23 -1.029 -15.711 1.286 1.00 0.00 C ATOM 394 C ILE A 23 0.168 -14.915 0.759 1.00 0.00 C ATOM 395 O ILE A 23 0.825 -15.292 -0.208 1.00 0.00 O ATOM 396 CB ILE A 23 -2.354 -14.946 1.131 1.00 0.00 C ATOM 397 CG1 ILE A 23 -3.542 -15.897 1.301 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.462 -14.274 -0.238 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.787 -16.344 2.730 1.00 0.00 C ATOM 0 H ILE A 23 -1.585 -15.637 3.291 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.078 -16.624 0.692 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.371 -14.178 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.441 -15.407 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.378 -16.778 0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.412 -13.744 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.642 -13.567 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.410 -15.031 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.646 -17.015 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.906 -16.866 3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.985 -15.473 3.355 1.00 0.00 H new ATOM 411 N LEU A 24 0.438 -13.774 1.384 1.00 0.00 N ATOM 412 CA LEU A 24 1.534 -12.907 0.992 1.00 0.00 C ATOM 413 C LEU A 24 2.852 -13.663 0.941 1.00 0.00 C ATOM 414 O LEU A 24 3.620 -13.504 -0.006 1.00 0.00 O ATOM 415 CB LEU A 24 1.639 -11.773 2.015 1.00 0.00 C ATOM 416 CG LEU A 24 0.551 -10.704 1.864 1.00 0.00 C ATOM 417 CD1 LEU A 24 0.897 -9.513 2.755 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.474 -10.242 0.414 1.00 0.00 C ATOM 0 H LEU A 24 -0.100 -13.427 2.178 1.00 0.00 H new ATOM 0 HA LEU A 24 1.335 -12.517 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.585 -12.195 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.616 -11.300 1.921 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.412 -11.123 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.128 -8.747 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.950 -9.839 3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.860 -9.101 2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.301 -9.482 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.434 -9.822 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.234 -11.091 -0.226 1.00 0.00 H new ATOM 430 N PHE A 25 3.122 -14.454 1.972 1.00 0.00 N ATOM 431 CA PHE A 25 4.350 -15.200 2.085 1.00 0.00 C ATOM 432 C PHE A 25 4.418 -16.190 0.977 1.00 0.00 C ATOM 433 O PHE A 25 5.483 -16.310 0.376 1.00 0.00 O ATOM 434 CB PHE A 25 4.639 -15.785 3.477 1.00 0.00 C ATOM 435 CG PHE A 25 3.920 -16.941 4.151 1.00 0.00 C ATOM 436 CD1 PHE A 25 4.069 -18.240 3.641 1.00 0.00 C ATOM 437 CD2 PHE A 25 3.534 -16.785 5.505 1.00 0.00 C ATOM 438 CE1 PHE A 25 3.693 -19.353 4.411 1.00 0.00 C ATOM 439 CE2 PHE A 25 3.165 -17.898 6.283 1.00 0.00 C ATOM 440 CZ PHE A 25 3.230 -19.185 5.726 1.00 0.00 C ATOM 0 H PHE A 25 2.483 -14.591 2.755 1.00 0.00 H new ATOM 0 HA PHE A 25 5.174 -14.495 1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.691 -16.070 3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.549 -14.946 4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.475 -18.385 2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.523 -15.799 5.946 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.760 -20.345 3.989 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.834 -17.763 7.302 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.925 -20.043 6.307 1.00 0.00 H new ATOM 450 N GLN A 26 3.295 -16.859 0.705 1.00 0.00 N ATOM 451 CA GLN A 26 3.358 -17.997 -0.165 1.00 0.00 C ATOM 452 C GLN A 26 3.912 -17.496 -1.507 1.00 0.00 C ATOM 453 O GLN A 26 4.808 -18.084 -2.107 1.00 0.00 O ATOM 454 CB GLN A 26 2.009 -18.758 -0.297 1.00 0.00 C ATOM 455 CG GLN A 26 1.204 -18.340 -1.539 1.00 0.00 C ATOM 456 CD GLN A 26 -0.125 -19.055 -1.764 1.00 0.00 C ATOM 457 OE1 GLN A 26 -0.822 -19.445 -0.832 1.00 0.00 O ATOM 458 NE2 GLN A 26 -0.487 -19.197 -3.032 1.00 0.00 N ATOM 0 H GLN A 26 2.370 -16.631 1.068 1.00 0.00 H new ATOM 0 HA GLN A 26 4.019 -18.753 0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.205 -19.829 -0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.409 -18.580 0.595 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.008 -17.270 -1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.828 -18.497 -2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.122 -18.859 -3.777 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.374 -19.644 -3.262 1.00 0.00 H new ATOM 467 N ALA A 27 3.363 -16.363 -1.960 1.00 0.00 N ATOM 468 CA ALA A 27 3.710 -15.751 -3.224 1.00 0.00 C ATOM 469 C ALA A 27 5.092 -15.128 -3.133 1.00 0.00 C ATOM 470 O ALA A 27 5.927 -15.366 -3.995 1.00 0.00 O ATOM 471 CB ALA A 27 2.700 -14.667 -3.576 1.00 0.00 C ATOM 0 H ALA A 27 2.654 -15.846 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 27 3.702 -16.520 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.971 -14.213 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.706 -15.107 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.699 -13.904 -2.798 1.00 0.00 H new ATOM 477 N TYR A 28 5.346 -14.305 -2.114 1.00 0.00 N ATOM 478 CA TYR A 28 6.618 -13.609 -2.015 1.00 0.00 C ATOM 479 C TYR A 28 7.788 -14.591 -1.935 1.00 0.00 C ATOM 480 O TYR A 28 8.907 -14.253 -2.318 1.00 0.00 O ATOM 481 CB TYR A 28 6.602 -12.629 -0.837 1.00 0.00 C ATOM 482 CG TYR A 28 7.732 -11.625 -0.892 1.00 0.00 C ATOM 483 CD1 TYR A 28 7.802 -10.724 -1.971 1.00 0.00 C ATOM 484 CD2 TYR A 28 8.778 -11.667 0.049 1.00 0.00 C ATOM 485 CE1 TYR A 28 8.899 -9.863 -2.104 1.00 0.00 C ATOM 486 CE2 TYR A 28 9.873 -10.796 -0.083 1.00 0.00 C ATOM 487 CZ TYR A 28 9.956 -9.932 -1.186 1.00 0.00 C ATOM 488 OH TYR A 28 10.909 -8.958 -1.192 1.00 0.00 O ATOM 0 H TYR A 28 4.692 -14.109 -1.356 1.00 0.00 H new ATOM 0 HA TYR A 28 6.764 -13.027 -2.925 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.650 -12.097 -0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.665 -13.189 0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.006 -10.696 -2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.739 -12.367 0.871 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.930 -9.147 -2.912 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.652 -10.791 0.665 1.00 0.00 H new ATOM 0 HH TYR A 28 10.589 -8.190 -1.709 1.00 0.00 H new ATOM 498 N GLU A 29 7.542 -15.810 -1.456 1.00 0.00 N ATOM 499 CA GLU A 29 8.524 -16.872 -1.475 1.00 0.00 C ATOM 500 C GLU A 29 8.914 -17.139 -2.937 1.00 0.00 C ATOM 501 O GLU A 29 10.065 -16.950 -3.329 1.00 0.00 O ATOM 502 CB GLU A 29 7.933 -18.099 -0.755 1.00 0.00 C ATOM 503 CG GLU A 29 8.982 -19.076 -0.210 1.00 0.00 C ATOM 504 CD GLU A 29 8.719 -19.397 1.250 1.00 0.00 C ATOM 505 OE1 GLU A 29 7.896 -20.289 1.527 1.00 0.00 O ATOM 506 OE2 GLU A 29 9.342 -18.740 2.118 1.00 0.00 O ATOM 0 H GLU A 29 6.649 -16.081 -1.044 1.00 0.00 H new ATOM 0 HA GLU A 29 9.437 -16.605 -0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.309 -17.756 0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.281 -18.633 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.968 -19.995 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.977 -18.644 -0.318 1.00 0.00 H new ATOM 513 N ARG A 30 7.929 -17.534 -3.744 1.00 0.00 N ATOM 514 CA ARG A 30 8.096 -18.028 -5.107 1.00 0.00 C ATOM 515 C ARG A 30 8.319 -16.903 -6.131 1.00 0.00 C ATOM 516 O ARG A 30 9.310 -16.912 -6.864 1.00 0.00 O ATOM 517 CB ARG A 30 6.924 -18.973 -5.460 1.00 0.00 C ATOM 518 CG ARG A 30 5.529 -18.338 -5.316 1.00 0.00 C ATOM 519 CD ARG A 30 4.404 -19.332 -4.983 1.00 0.00 C ATOM 520 NE ARG A 30 3.997 -20.164 -6.124 1.00 0.00 N ATOM 521 CZ ARG A 30 3.327 -19.697 -7.189 1.00 0.00 C ATOM 522 NH1 ARG A 30 3.036 -18.410 -7.264 1.00 0.00 N ATOM 523 NH2 ARG A 30 2.964 -20.489 -8.199 1.00 0.00 N ATOM 0 H ARG A 30 6.952 -17.517 -3.451 1.00 0.00 H new ATOM 0 HA ARG A 30 9.017 -18.609 -5.157 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.048 -19.318 -6.486 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.977 -19.853 -4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.569 -17.579 -4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.280 -17.826 -6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.732 -19.980 -4.170 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.538 -18.779 -4.620 1.00 0.00 H new ATOM 0 HE ARG A 30 4.238 -21.155 -6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.320 -17.778 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.527 -18.048 -8.071 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.195 -21.482 -8.177 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.455 -20.101 -8.994 1.00 0.00 H new ATOM 537 N GLN A 31 7.388 -15.954 -6.237 1.00 0.00 N ATOM 538 CA GLN A 31 7.435 -14.832 -7.167 1.00 0.00 C ATOM 539 C GLN A 31 7.894 -13.573 -6.428 1.00 0.00 C ATOM 540 O GLN A 31 7.233 -13.093 -5.513 1.00 0.00 O ATOM 541 CB GLN A 31 6.065 -14.643 -7.829 1.00 0.00 C ATOM 542 CG GLN A 31 5.701 -15.852 -8.708 1.00 0.00 C ATOM 543 CD GLN A 31 5.334 -15.447 -10.134 1.00 0.00 C ATOM 544 OE1 GLN A 31 6.217 -15.201 -10.953 1.00 0.00 O ATOM 545 NE2 GLN A 31 4.055 -15.383 -10.466 1.00 0.00 N ATOM 0 H GLN A 31 6.551 -15.948 -5.655 1.00 0.00 H new ATOM 0 HA GLN A 31 8.155 -15.035 -7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.303 -14.505 -7.062 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.073 -13.738 -8.436 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.543 -16.544 -8.735 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.864 -16.386 -8.258 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.337 -15.591 -9.772 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.787 -15.126 -11.416 1.00 0.00 H new ATOM 554 N LYS A 32 9.038 -13.020 -6.831 1.00 0.00 N ATOM 555 CA LYS A 32 9.663 -11.891 -6.152 1.00 0.00 C ATOM 556 C LYS A 32 9.008 -10.559 -6.524 1.00 0.00 C ATOM 557 O LYS A 32 9.361 -9.529 -5.946 1.00 0.00 O ATOM 558 CB LYS A 32 11.150 -11.824 -6.552 1.00 0.00 C ATOM 559 CG LYS A 32 11.994 -13.090 -6.323 1.00 0.00 C ATOM 560 CD LYS A 32 12.332 -13.347 -4.849 1.00 0.00 C ATOM 561 CE LYS A 32 11.332 -14.315 -4.207 1.00 0.00 C ATOM 562 NZ LYS A 32 11.511 -14.404 -2.745 1.00 0.00 N ATOM 0 H LYS A 32 9.559 -13.347 -7.644 1.00 0.00 H new ATOM 0 HA LYS A 32 9.543 -12.046 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.205 -11.568 -7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.612 -11.005 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.456 -13.951 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.921 -13.005 -6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.339 -13.757 -4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.329 -12.403 -4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.316 -13.987 -4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.451 -15.305 -4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.135 -15.205 -2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.938 -13.523 -2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.587 -14.547 -2.290 1.00 0.00 H new ATOM 576 N ASN A 33 8.155 -10.547 -7.550 1.00 0.00 N ATOM 577 CA ASN A 33 7.640 -9.366 -8.211 1.00 0.00 C ATOM 578 C ASN A 33 6.175 -9.618 -8.598 1.00 0.00 C ATOM 579 O ASN A 33 5.751 -10.771 -8.623 1.00 0.00 O ATOM 580 CB ASN A 33 8.504 -9.112 -9.451 1.00 0.00 C ATOM 581 CG ASN A 33 7.947 -9.832 -10.672 1.00 0.00 C ATOM 582 OD1 ASN A 33 7.312 -9.216 -11.521 1.00 0.00 O ATOM 583 ND2 ASN A 33 8.135 -11.135 -10.741 1.00 0.00 N ATOM 0 H ASN A 33 7.792 -11.409 -7.956 1.00 0.00 H new ATOM 0 HA ASN A 33 7.677 -8.492 -7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.553 -8.041 -9.649 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.523 -9.449 -9.262 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.746 -11.666 -11.520 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.669 -11.612 -10.015 1.00 0.00 H new ATOM 590 N PRO A 34 5.383 -8.572 -8.886 1.00 0.00 N ATOM 591 CA PRO A 34 3.949 -8.714 -9.100 1.00 0.00 C ATOM 592 C PRO A 34 3.649 -9.128 -10.550 1.00 0.00 C ATOM 593 O PRO A 34 3.006 -8.374 -11.292 1.00 0.00 O ATOM 594 CB PRO A 34 3.385 -7.338 -8.719 1.00 0.00 C ATOM 595 CG PRO A 34 4.495 -6.374 -9.137 1.00 0.00 C ATOM 596 CD PRO A 34 5.766 -7.167 -8.831 1.00 0.00 C ATOM 0 HA PRO A 34 3.490 -9.502 -8.504 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.452 -7.127 -9.241 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.175 -7.271 -7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.426 -6.112 -10.193 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.454 -5.442 -8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.548 -6.947 -9.557 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.161 -6.908 -7.849 1.00 0.00 H new ATOM 604 N SER A 35 4.120 -10.317 -10.942 1.00 0.00 N ATOM 605 CA SER A 35 4.238 -10.764 -12.325 1.00 0.00 C ATOM 606 C SER A 35 2.960 -10.548 -13.130 1.00 0.00 C ATOM 607 O SER A 35 2.904 -9.677 -14.000 1.00 0.00 O ATOM 608 CB SER A 35 4.695 -12.230 -12.332 1.00 0.00 C ATOM 609 OG SER A 35 5.784 -12.389 -11.444 1.00 0.00 O ATOM 0 H SER A 35 4.441 -11.018 -10.274 1.00 0.00 H new ATOM 0 HA SER A 35 4.988 -10.153 -12.827 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.872 -12.880 -12.035 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.987 -12.526 -13.339 1.00 0.00 H new ATOM 0 HG SER A 35 6.014 -13.339 -11.375 1.00 0.00 H new ATOM 615 N LYS A 36 1.934 -11.342 -12.846 1.00 0.00 N ATOM 616 CA LYS A 36 0.645 -11.271 -13.500 1.00 0.00 C ATOM 617 C LYS A 36 -0.360 -11.971 -12.600 1.00 0.00 C ATOM 618 O LYS A 36 -0.769 -11.403 -11.586 1.00 0.00 O ATOM 619 CB LYS A 36 0.708 -11.808 -14.949 1.00 0.00 C ATOM 620 CG LYS A 36 1.835 -12.800 -15.293 1.00 0.00 C ATOM 621 CD LYS A 36 1.682 -13.294 -16.743 1.00 0.00 C ATOM 622 CE LYS A 36 0.829 -14.568 -16.835 1.00 0.00 C ATOM 623 NZ LYS A 36 1.620 -15.781 -16.538 1.00 0.00 N ATOM 0 H LYS A 36 1.983 -12.071 -12.134 1.00 0.00 H new ATOM 0 HA LYS A 36 0.319 -10.239 -13.629 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.244 -12.291 -15.170 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.796 -10.954 -15.620 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.805 -12.319 -15.165 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.806 -13.647 -14.607 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.226 -12.509 -17.346 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.668 -13.488 -17.165 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.005 -14.498 -16.137 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.402 -14.648 -17.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.591 -16.423 -17.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.606 -15.513 -16.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.220 -16.261 -15.706 1.00 0.00 H new ATOM 637 N GLU A 37 -0.621 -13.231 -12.926 1.00 0.00 N ATOM 638 CA GLU A 37 -1.455 -14.209 -12.270 1.00 0.00 C ATOM 639 C GLU A 37 -1.359 -14.017 -10.754 1.00 0.00 C ATOM 640 O GLU A 37 -2.356 -13.951 -10.049 1.00 0.00 O ATOM 641 CB GLU A 37 -0.808 -15.537 -12.705 1.00 0.00 C ATOM 642 CG GLU A 37 -1.668 -16.407 -13.622 1.00 0.00 C ATOM 643 CD GLU A 37 -0.788 -17.515 -14.156 1.00 0.00 C ATOM 644 OE1 GLU A 37 0.022 -17.213 -15.064 1.00 0.00 O ATOM 645 OE2 GLU A 37 -0.713 -18.569 -13.496 1.00 0.00 O ATOM 0 H GLU A 37 -0.196 -13.632 -13.762 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.514 -14.150 -12.523 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.130 -15.317 -13.214 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.559 -16.112 -11.813 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.515 -16.821 -13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.077 -15.814 -14.440 1.00 0.00 H new ATOM 652 N GLU A 38 -0.119 -13.904 -10.274 1.00 0.00 N ATOM 653 CA GLU A 38 0.212 -13.803 -8.871 1.00 0.00 C ATOM 654 C GLU A 38 -0.578 -12.724 -8.146 1.00 0.00 C ATOM 655 O GLU A 38 -1.067 -12.961 -7.050 1.00 0.00 O ATOM 656 CB GLU A 38 1.708 -13.468 -8.770 1.00 0.00 C ATOM 657 CG GLU A 38 2.316 -13.979 -7.465 1.00 0.00 C ATOM 658 CD GLU A 38 2.398 -15.490 -7.421 1.00 0.00 C ATOM 659 OE1 GLU A 38 2.285 -16.125 -8.495 1.00 0.00 O ATOM 660 OE2 GLU A 38 2.610 -16.028 -6.317 1.00 0.00 O ATOM 0 H GLU A 38 0.701 -13.881 -10.880 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.037 -14.752 -8.397 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.237 -13.909 -9.615 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.844 -12.389 -8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.315 -13.560 -7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.718 -13.625 -6.625 1.00 0.00 H new ATOM 667 N ARG A 39 -0.643 -11.512 -8.694 1.00 0.00 N ATOM 668 CA ARG A 39 -1.402 -10.453 -8.042 1.00 0.00 C ATOM 669 C ARG A 39 -2.827 -10.930 -7.830 1.00 0.00 C ATOM 670 O ARG A 39 -3.416 -10.751 -6.768 1.00 0.00 O ATOM 671 CB ARG A 39 -1.446 -9.206 -8.924 1.00 0.00 C ATOM 672 CG ARG A 39 -0.377 -8.196 -8.527 1.00 0.00 C ATOM 673 CD ARG A 39 -0.373 -7.074 -9.565 1.00 0.00 C ATOM 674 NE ARG A 39 0.323 -7.511 -10.783 1.00 0.00 N ATOM 675 CZ ARG A 39 -0.210 -7.802 -11.976 1.00 0.00 C ATOM 676 NH1 ARG A 39 -1.522 -7.989 -12.146 1.00 0.00 N ATOM 677 NH2 ARG A 39 0.651 -7.883 -12.987 1.00 0.00 N ATOM 0 H ARG A 39 -0.190 -11.245 -9.568 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.923 -10.212 -7.093 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.306 -9.493 -9.966 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.430 -8.743 -8.850 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.582 -7.795 -7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.601 -8.675 -8.481 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.397 -6.788 -9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.117 -6.191 -9.155 1.00 0.00 H new ATOM 0 HE ARG A 39 1.336 -7.604 -10.711 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.156 -7.911 -11.350 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.890 -8.209 -13.071 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.646 -7.727 -12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.316 -8.101 -13.926 1.00 0.00 H new ATOM 691 N GLU A 40 -3.371 -11.483 -8.898 1.00 0.00 N ATOM 692 CA GLU A 40 -4.795 -11.599 -9.045 1.00 0.00 C ATOM 693 C GLU A 40 -5.174 -12.732 -8.055 1.00 0.00 C ATOM 694 O GLU A 40 -6.056 -12.557 -7.214 1.00 0.00 O ATOM 695 CB GLU A 40 -5.025 -11.917 -10.520 1.00 0.00 C ATOM 696 CG GLU A 40 -5.731 -10.769 -11.260 1.00 0.00 C ATOM 697 CD GLU A 40 -4.699 -9.761 -11.786 1.00 0.00 C ATOM 698 OE1 GLU A 40 -3.621 -9.575 -11.169 1.00 0.00 O ATOM 699 OE2 GLU A 40 -4.897 -9.252 -12.906 1.00 0.00 O ATOM 0 H GLU A 40 -2.835 -11.860 -9.679 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.403 -10.724 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.067 -12.121 -10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.624 -12.824 -10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.316 -11.167 -12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.429 -10.269 -10.588 1.00 0.00 H new ATOM 706 N THR A 41 -4.416 -13.842 -8.088 1.00 0.00 N ATOM 707 CA THR A 41 -4.420 -14.907 -7.088 1.00 0.00 C ATOM 708 C THR A 41 -4.353 -14.292 -5.692 1.00 0.00 C ATOM 709 O THR A 41 -5.257 -14.478 -4.884 1.00 0.00 O ATOM 710 CB THR A 41 -3.292 -15.952 -7.352 1.00 0.00 C ATOM 711 OG1 THR A 41 -3.876 -17.240 -7.411 1.00 0.00 O ATOM 712 CG2 THR A 41 -2.147 -16.080 -6.334 1.00 0.00 C ATOM 0 H THR A 41 -3.759 -14.022 -8.847 1.00 0.00 H new ATOM 0 HA THR A 41 -5.352 -15.467 -7.161 1.00 0.00 H new ATOM 0 HB THR A 41 -2.838 -15.576 -8.269 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.117 -17.532 -6.507 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.449 -16.849 -6.666 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.625 -15.127 -6.252 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.554 -16.355 -5.361 1.00 0.00 H new ATOM 720 N LEU A 42 -3.297 -13.523 -5.419 1.00 0.00 N ATOM 721 CA LEU A 42 -3.030 -12.955 -4.119 1.00 0.00 C ATOM 722 C LEU A 42 -4.259 -12.223 -3.600 1.00 0.00 C ATOM 723 O LEU A 42 -4.534 -12.286 -2.402 1.00 0.00 O ATOM 724 CB LEU A 42 -1.812 -12.023 -4.201 1.00 0.00 C ATOM 725 CG LEU A 42 -0.463 -12.734 -4.017 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.671 -11.789 -4.420 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.284 -13.140 -2.555 1.00 0.00 C ATOM 0 H LEU A 42 -2.596 -13.279 -6.118 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.800 -13.754 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.817 -11.521 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.909 -11.249 -3.440 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.441 -13.625 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.629 -12.293 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.551 -11.502 -5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.642 -10.898 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.675 -13.644 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.310 -12.251 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.089 -13.815 -2.264 1.00 0.00 H new ATOM 739 N VAL A 43 -4.988 -11.511 -4.459 1.00 0.00 N ATOM 740 CA VAL A 43 -6.235 -10.922 -4.022 1.00 0.00 C ATOM 741 C VAL A 43 -7.211 -12.002 -3.548 1.00 0.00 C ATOM 742 O VAL A 43 -7.606 -11.945 -2.387 1.00 0.00 O ATOM 743 CB VAL A 43 -6.866 -9.995 -5.067 1.00 0.00 C ATOM 744 CG1 VAL A 43 -8.101 -9.389 -4.386 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.941 -8.839 -5.449 1.00 0.00 C ATOM 0 H VAL A 43 -4.739 -11.336 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.999 -10.282 -3.172 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.085 -10.560 -5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.603 -8.713 -5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.785 -10.187 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.793 -8.836 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.432 -8.210 -6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.716 -8.245 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.015 -9.236 -5.865 1.00 0.00 H new ATOM 755 N GLU A 44 -7.630 -12.925 -4.420 1.00 0.00 N ATOM 756 CA GLU A 44 -8.581 -13.989 -4.080 1.00 0.00 C ATOM 757 C GLU A 44 -8.156 -14.653 -2.779 1.00 0.00 C ATOM 758 O GLU A 44 -8.841 -14.550 -1.761 1.00 0.00 O ATOM 759 CB GLU A 44 -8.662 -15.007 -5.235 1.00 0.00 C ATOM 760 CG GLU A 44 -9.049 -16.463 -4.888 1.00 0.00 C ATOM 761 CD GLU A 44 -10.266 -16.637 -3.977 1.00 0.00 C ATOM 762 OE1 GLU A 44 -11.044 -15.674 -3.846 1.00 0.00 O ATOM 763 OE2 GLU A 44 -10.394 -17.743 -3.400 1.00 0.00 O ATOM 0 H GLU A 44 -7.316 -12.955 -5.390 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.576 -13.567 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.384 -14.633 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.692 -15.028 -5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.237 -16.999 -5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.193 -16.941 -4.412 1.00 0.00 H new ATOM 770 N GLU A 45 -6.980 -15.276 -2.814 1.00 0.00 N ATOM 771 CA GLU A 45 -6.392 -16.018 -1.719 1.00 0.00 C ATOM 772 C GLU A 45 -6.594 -15.225 -0.418 1.00 0.00 C ATOM 773 O GLU A 45 -7.034 -15.750 0.609 1.00 0.00 O ATOM 774 CB GLU A 45 -4.904 -16.234 -2.030 1.00 0.00 C ATOM 775 CG GLU A 45 -4.482 -17.685 -2.276 1.00 0.00 C ATOM 776 CD GLU A 45 -4.888 -18.201 -3.645 1.00 0.00 C ATOM 777 OE1 GLU A 45 -4.402 -17.670 -4.667 1.00 0.00 O ATOM 778 OE2 GLU A 45 -5.582 -19.235 -3.675 1.00 0.00 O ATOM 0 H GLU A 45 -6.391 -15.273 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.865 -16.992 -1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.646 -15.646 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.317 -15.840 -1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.400 -17.765 -2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.925 -18.321 -1.509 1.00 0.00 H new ATOM 785 N CYS A 46 -6.249 -13.936 -0.460 1.00 0.00 N ATOM 786 CA CYS A 46 -6.317 -13.080 0.720 1.00 0.00 C ATOM 787 C CYS A 46 -7.760 -12.816 1.130 1.00 0.00 C ATOM 788 O CYS A 46 -8.101 -12.869 2.303 1.00 0.00 O ATOM 789 CB CYS A 46 -5.717 -11.703 0.448 1.00 0.00 C ATOM 790 SG CYS A 46 -5.638 -10.833 2.043 1.00 0.00 S ATOM 0 H CYS A 46 -5.919 -13.464 -1.302 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.767 -13.610 1.498 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.723 -11.795 0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.329 -11.149 -0.263 1.00 0.00 H new ATOM 0 HG CYS A 46 -6.437 -11.409 2.892 1.00 0.00 H new ATOM 796 N ASN A 47 -8.582 -12.393 0.178 1.00 0.00 N ATOM 797 CA ASN A 47 -9.966 -11.978 0.356 1.00 0.00 C ATOM 798 C ASN A 47 -10.738 -13.115 1.004 1.00 0.00 C ATOM 799 O ASN A 47 -11.351 -12.940 2.056 1.00 0.00 O ATOM 800 CB ASN A 47 -10.537 -11.639 -1.027 1.00 0.00 C ATOM 801 CG ASN A 47 -11.975 -11.178 -0.917 1.00 0.00 C ATOM 802 OD1 ASN A 47 -12.905 -11.948 -1.103 1.00 0.00 O ATOM 803 ND2 ASN A 47 -12.179 -9.908 -0.598 1.00 0.00 N ATOM 0 H ASN A 47 -8.282 -12.327 -0.795 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.042 -11.102 1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.935 -10.859 -1.493 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.480 -12.515 -1.674 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.130 -9.553 -0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.385 -9.286 -0.448 1.00 0.00 H new ATOM 810 N ARG A 48 -10.610 -14.299 0.422 1.00 0.00 N ATOM 811 CA ARG A 48 -11.060 -15.562 0.961 1.00 0.00 C ATOM 812 C ARG A 48 -10.570 -15.695 2.406 1.00 0.00 C ATOM 813 O ARG A 48 -11.357 -15.860 3.338 1.00 0.00 O ATOM 814 CB ARG A 48 -10.482 -16.652 0.052 1.00 0.00 C ATOM 815 CG ARG A 48 -11.048 -18.038 0.315 1.00 0.00 C ATOM 816 CD ARG A 48 -12.453 -18.179 -0.280 1.00 0.00 C ATOM 817 NE ARG A 48 -12.775 -19.601 -0.410 1.00 0.00 N ATOM 818 CZ ARG A 48 -12.213 -20.406 -1.321 1.00 0.00 C ATOM 819 NH1 ARG A 48 -11.549 -19.912 -2.366 1.00 0.00 N ATOM 820 NH2 ARG A 48 -12.280 -21.719 -1.126 1.00 0.00 N ATOM 0 H ARG A 48 -10.164 -14.403 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.147 -15.644 0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.673 -16.384 -0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.400 -16.682 0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.389 -18.792 -0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.084 -18.223 1.389 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.184 -17.684 0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.500 -17.692 -1.254 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.464 -20.000 0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.461 -18.903 -2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.129 -20.543 -3.048 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.750 -22.089 -0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.861 -22.357 -1.803 1.00 0.00 H new ATOM 834 N ALA A 49 -9.258 -15.580 2.612 1.00 0.00 N ATOM 835 CA ALA A 49 -8.670 -15.669 3.940 1.00 0.00 C ATOM 836 C ALA A 49 -9.224 -14.617 4.905 1.00 0.00 C ATOM 837 O ALA A 49 -9.243 -14.859 6.115 1.00 0.00 O ATOM 838 CB ALA A 49 -7.146 -15.594 3.861 1.00 0.00 C ATOM 0 H ALA A 49 -8.580 -15.424 1.866 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.952 -16.640 4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.726 -15.662 4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.772 -16.419 3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.851 -14.647 3.408 1.00 0.00 H new ATOM 844 N GLU A 50 -9.671 -13.460 4.415 1.00 0.00 N ATOM 845 CA GLU A 50 -10.121 -12.373 5.248 1.00 0.00 C ATOM 846 C GLU A 50 -11.544 -12.732 5.657 1.00 0.00 C ATOM 847 O GLU A 50 -11.933 -12.600 6.816 1.00 0.00 O ATOM 848 CB GLU A 50 -10.008 -11.070 4.447 1.00 0.00 C ATOM 849 CG GLU A 50 -9.872 -9.814 5.314 1.00 0.00 C ATOM 850 CD GLU A 50 -8.541 -9.629 6.022 1.00 0.00 C ATOM 851 OE1 GLU A 50 -7.630 -10.468 5.865 1.00 0.00 O ATOM 852 OE2 GLU A 50 -8.424 -8.638 6.776 1.00 0.00 O ATOM 0 H GLU A 50 -9.727 -13.261 3.416 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.527 -12.221 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.145 -11.137 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.889 -10.968 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.049 -8.942 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.661 -9.830 6.066 1.00 0.00 H new ATOM 859 N CYS A 51 -12.308 -13.255 4.699 1.00 0.00 N ATOM 860 CA CYS A 51 -13.611 -13.840 4.948 1.00 0.00 C ATOM 861 C CYS A 51 -13.536 -14.885 6.059 1.00 0.00 C ATOM 862 O CYS A 51 -14.298 -14.822 7.028 1.00 0.00 O ATOM 863 CB CYS A 51 -14.265 -14.354 3.671 1.00 0.00 C ATOM 864 SG CYS A 51 -15.162 -15.915 3.919 1.00 0.00 S ATOM 0 H CYS A 51 -12.030 -13.281 3.718 1.00 0.00 H new ATOM 0 HA CYS A 51 -14.272 -13.052 5.308 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -14.955 -13.600 3.293 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.500 -14.497 2.908 1.00 0.00 H new ATOM 0 HG CYS A 51 -16.300 -15.674 4.500 1.00 0.00 H new ATOM 870 N ILE A 52 -12.578 -15.802 5.954 1.00 0.00 N ATOM 871 CA ILE A 52 -12.416 -16.913 6.878 1.00 0.00 C ATOM 872 C ILE A 52 -12.089 -16.343 8.252 1.00 0.00 C ATOM 873 O ILE A 52 -12.641 -16.775 9.259 1.00 0.00 O ATOM 874 CB ILE A 52 -11.313 -17.841 6.335 1.00 0.00 C ATOM 875 CG1 ILE A 52 -11.867 -18.633 5.135 1.00 0.00 C ATOM 876 CG2 ILE A 52 -10.764 -18.793 7.406 1.00 0.00 C ATOM 877 CD1 ILE A 52 -10.772 -19.324 4.316 1.00 0.00 C ATOM 0 H ILE A 52 -11.881 -15.791 5.209 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.325 -17.507 6.973 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.475 -17.220 6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -12.571 -19.383 5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -12.425 -17.957 4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.990 -19.424 6.970 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.340 -18.213 8.226 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.572 -19.419 7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.226 -19.865 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.081 -18.576 3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.229 -20.024 4.951 1.00 0.00 H new ATOM 889 N GLN A 53 -11.230 -15.325 8.281 1.00 0.00 N ATOM 890 CA GLN A 53 -10.763 -14.676 9.503 1.00 0.00 C ATOM 891 C GLN A 53 -11.891 -14.436 10.507 1.00 0.00 C ATOM 892 O GLN A 53 -11.694 -14.598 11.708 1.00 0.00 O ATOM 893 CB GLN A 53 -10.099 -13.336 9.160 1.00 0.00 C ATOM 894 CG GLN A 53 -8.798 -13.097 9.942 1.00 0.00 C ATOM 895 CD GLN A 53 -8.036 -11.935 9.321 1.00 0.00 C ATOM 896 OE1 GLN A 53 -7.731 -10.930 9.965 1.00 0.00 O ATOM 897 NE2 GLN A 53 -7.736 -12.065 8.034 1.00 0.00 N ATOM 0 H GLN A 53 -10.831 -14.920 7.434 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.044 -15.350 9.968 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.886 -13.305 8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.797 -12.526 9.370 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.024 -12.881 10.986 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.183 -13.997 9.929 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.004 -12.911 7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.238 -11.319 7.549 1.00 0.00 H new ATOM 906 N ARG A 54 -13.048 -13.983 10.023 1.00 0.00 N ATOM 907 CA ARG A 54 -14.202 -13.660 10.851 1.00 0.00 C ATOM 908 C ARG A 54 -15.364 -14.637 10.684 1.00 0.00 C ATOM 909 O ARG A 54 -16.245 -14.694 11.546 1.00 0.00 O ATOM 910 CB ARG A 54 -14.632 -12.225 10.552 1.00 0.00 C ATOM 911 CG ARG A 54 -15.104 -12.027 9.109 1.00 0.00 C ATOM 912 CD ARG A 54 -14.111 -11.152 8.335 1.00 0.00 C ATOM 913 NE ARG A 54 -14.411 -9.732 8.544 1.00 0.00 N ATOM 914 CZ ARG A 54 -13.786 -8.896 9.379 1.00 0.00 C ATOM 915 NH1 ARG A 54 -12.572 -9.181 9.845 1.00 0.00 N ATOM 916 NH2 ARG A 54 -14.391 -7.775 9.761 1.00 0.00 N ATOM 0 H ARG A 54 -13.208 -13.829 9.028 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.903 -13.753 11.895 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.436 -11.944 11.233 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.797 -11.553 10.750 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.205 -12.994 8.617 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -16.090 -11.561 9.103 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.094 -11.368 8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.160 -11.388 7.272 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.177 -9.341 7.995 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.108 -10.045 9.565 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.105 -8.535 10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.326 -7.558 9.417 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.920 -7.133 10.398 1.00 0.00 H new ATOM 930 N GLY A 55 -15.422 -15.350 9.563 1.00 0.00 N ATOM 931 CA GLY A 55 -16.628 -16.038 9.150 1.00 0.00 C ATOM 932 C GLY A 55 -17.580 -15.046 8.491 1.00 0.00 C ATOM 933 O GLY A 55 -18.728 -14.882 8.912 1.00 0.00 O ATOM 0 H GLY A 55 -14.636 -15.463 8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.382 -16.839 8.453 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.108 -16.501 10.012 1.00 0.00 H new ATOM 937 N VAL A 56 -17.105 -14.407 7.428 1.00 0.00 N ATOM 938 CA VAL A 56 -17.968 -13.711 6.480 1.00 0.00 C ATOM 939 C VAL A 56 -18.668 -14.809 5.678 1.00 0.00 C ATOM 940 O VAL A 56 -18.076 -15.848 5.392 1.00 0.00 O ATOM 941 CB VAL A 56 -17.088 -12.885 5.517 1.00 0.00 C ATOM 942 CG1 VAL A 56 -17.606 -12.729 4.087 1.00 0.00 C ATOM 943 CG2 VAL A 56 -16.725 -11.481 5.998 1.00 0.00 C ATOM 0 H VAL A 56 -16.112 -14.357 7.199 1.00 0.00 H new ATOM 0 HA VAL A 56 -18.674 -13.048 6.980 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.205 -13.524 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.903 -12.130 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -17.709 -13.712 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -18.577 -12.233 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.106 -10.988 5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -17.636 -10.903 6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -16.174 -11.549 6.936 1.00 0.00 H new ATOM 953 N SER A 57 -19.919 -14.557 5.306 1.00 0.00 N ATOM 954 CA SER A 57 -20.651 -15.362 4.340 1.00 0.00 C ATOM 955 C SER A 57 -19.781 -15.444 3.079 1.00 0.00 C ATOM 956 O SER A 57 -19.512 -14.382 2.526 1.00 0.00 O ATOM 957 CB SER A 57 -21.960 -14.638 4.022 1.00 0.00 C ATOM 958 OG SER A 57 -23.071 -15.373 4.493 1.00 0.00 O ATOM 0 H SER A 57 -20.460 -13.774 5.675 1.00 0.00 H new ATOM 0 HA SER A 57 -20.871 -16.361 4.716 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.953 -13.649 4.479 1.00 0.00 H new ATOM 0 HB3 SER A 57 -22.046 -14.491 2.945 1.00 0.00 H new ATOM 0 HG SER A 57 -23.897 -14.890 4.280 1.00 0.00 H new ATOM 964 N PRO A 58 -19.317 -16.620 2.637 1.00 0.00 N ATOM 965 CA PRO A 58 -18.272 -16.724 1.625 1.00 0.00 C ATOM 966 C PRO A 58 -18.616 -15.969 0.341 1.00 0.00 C ATOM 967 O PRO A 58 -17.768 -15.301 -0.243 1.00 0.00 O ATOM 968 CB PRO A 58 -18.046 -18.224 1.403 1.00 0.00 C ATOM 969 CG PRO A 58 -19.305 -18.887 1.967 1.00 0.00 C ATOM 970 CD PRO A 58 -19.735 -17.937 3.084 1.00 0.00 C ATOM 0 HA PRO A 58 -17.352 -16.245 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.916 -18.454 0.345 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.150 -18.571 1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.080 -18.990 1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.096 -19.887 2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -20.813 -17.976 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -19.263 -18.201 4.030 1.00 0.00 H new ATOM 978 N SER A 59 -19.881 -16.018 -0.068 1.00 0.00 N ATOM 979 CA SER A 59 -20.384 -15.284 -1.216 1.00 0.00 C ATOM 980 C SER A 59 -20.064 -13.788 -1.095 1.00 0.00 C ATOM 981 O SER A 59 -19.741 -13.126 -2.076 1.00 0.00 O ATOM 982 CB SER A 59 -21.895 -15.528 -1.284 1.00 0.00 C ATOM 983 OG SER A 59 -22.426 -15.636 0.035 1.00 0.00 O ATOM 0 H SER A 59 -20.593 -16.579 0.399 1.00 0.00 H new ATOM 0 HA SER A 59 -19.905 -15.629 -2.132 1.00 0.00 H new ATOM 0 HB2 SER A 59 -22.381 -14.710 -1.816 1.00 0.00 H new ATOM 0 HB3 SER A 59 -22.101 -16.440 -1.845 1.00 0.00 H new ATOM 0 HG SER A 59 -23.393 -15.790 -0.013 1.00 0.00 H new ATOM 989 N GLN A 60 -20.151 -13.253 0.122 1.00 0.00 N ATOM 990 CA GLN A 60 -19.887 -11.860 0.423 1.00 0.00 C ATOM 991 C GLN A 60 -18.429 -11.647 0.843 1.00 0.00 C ATOM 992 O GLN A 60 -18.137 -10.722 1.603 1.00 0.00 O ATOM 993 CB GLN A 60 -20.877 -11.396 1.505 1.00 0.00 C ATOM 994 CG GLN A 60 -21.100 -9.878 1.486 1.00 0.00 C ATOM 995 CD GLN A 60 -21.634 -9.389 2.826 1.00 0.00 C ATOM 996 OE1 GLN A 60 -20.923 -8.743 3.590 1.00 0.00 O ATOM 997 NE2 GLN A 60 -22.883 -9.709 3.140 1.00 0.00 N ATOM 0 H GLN A 60 -20.415 -13.797 0.943 1.00 0.00 H new ATOM 0 HA GLN A 60 -20.033 -11.255 -0.472 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -21.832 -11.902 1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -20.504 -11.693 2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -20.162 -9.372 1.257 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -21.803 -9.620 0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -23.452 -10.247 2.486 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -23.275 -9.417 4.036 1.00 0.00 H new ATOM 1006 N ALA A 61 -17.488 -12.436 0.326 1.00 0.00 N ATOM 1007 CA ALA A 61 -16.073 -12.121 0.510 1.00 0.00 C ATOM 1008 C ALA A 61 -15.707 -10.849 -0.267 1.00 0.00 C ATOM 1009 O ALA A 61 -14.866 -10.056 0.149 1.00 0.00 O ATOM 1010 CB ALA A 61 -15.164 -13.313 0.219 1.00 0.00 C ATOM 0 H ALA A 61 -17.674 -13.282 -0.213 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.900 -11.906 1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.124 -13.023 0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.414 -14.134 0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.304 -13.634 -0.813 1.00 0.00 H new ATOM 1016 N GLN A 62 -16.457 -10.547 -1.323 1.00 0.00 N ATOM 1017 CA GLN A 62 -16.405 -9.232 -1.951 1.00 0.00 C ATOM 1018 C GLN A 62 -17.016 -8.128 -1.068 1.00 0.00 C ATOM 1019 O GLN A 62 -17.087 -6.985 -1.514 1.00 0.00 O ATOM 1020 CB GLN A 62 -17.050 -9.280 -3.349 1.00 0.00 C ATOM 1021 CG GLN A 62 -15.993 -9.281 -4.466 1.00 0.00 C ATOM 1022 CD GLN A 62 -15.175 -7.990 -4.586 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -14.185 -7.944 -5.305 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -15.546 -6.914 -3.898 1.00 0.00 N ATOM 0 H GLN A 62 -17.109 -11.197 -1.762 1.00 0.00 H new ATOM 0 HA GLN A 62 -15.355 -8.965 -2.070 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.669 -10.173 -3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -17.710 -8.422 -3.474 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -15.309 -10.112 -4.297 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -16.492 -9.467 -5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -16.371 -6.951 -3.299 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.006 -6.052 -3.970 1.00 0.00 H new ATOM 1033 N GLY A 63 -17.463 -8.427 0.157 1.00 0.00 N ATOM 1034 CA GLY A 63 -17.823 -7.415 1.127 1.00 0.00 C ATOM 1035 C GLY A 63 -16.536 -6.948 1.793 1.00 0.00 C ATOM 1036 O GLY A 63 -15.756 -6.232 1.176 1.00 0.00 O ATOM 0 H GLY A 63 -17.582 -9.383 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -18.329 -6.581 0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.513 -7.820 1.867 1.00 0.00 H new ATOM 1040 N LEU A 64 -16.301 -7.367 3.040 1.00 0.00 N ATOM 1041 CA LEU A 64 -15.122 -7.079 3.869 1.00 0.00 C ATOM 1042 C LEU A 64 -14.901 -5.588 4.190 1.00 0.00 C ATOM 1043 O LEU A 64 -14.649 -5.246 5.347 1.00 0.00 O ATOM 1044 CB LEU A 64 -13.865 -7.782 3.322 1.00 0.00 C ATOM 1045 CG LEU A 64 -13.700 -9.243 3.787 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -13.288 -9.369 5.242 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -14.871 -10.150 3.483 1.00 0.00 C ATOM 0 H LEU A 64 -16.973 -7.956 3.532 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.338 -7.512 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.897 -7.761 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.985 -7.215 3.626 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.875 -9.601 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.190 -10.423 5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.332 -8.867 5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.045 -8.907 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.658 -11.154 3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.765 -9.767 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -15.035 -10.184 2.406 1.00 0.00 H new ATOM 1059 N GLY A 65 -15.006 -4.685 3.218 1.00 0.00 N ATOM 1060 CA GLY A 65 -15.093 -3.254 3.424 1.00 0.00 C ATOM 1061 C GLY A 65 -13.725 -2.688 3.764 1.00 0.00 C ATOM 1062 O GLY A 65 -12.901 -2.491 2.874 1.00 0.00 O ATOM 0 H GLY A 65 -15.033 -4.946 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.480 -2.773 2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.795 -3.037 4.230 1.00 0.00 H new ATOM 1066 N SER A 66 -13.451 -2.397 5.032 1.00 0.00 N ATOM 1067 CA SER A 66 -12.160 -1.832 5.416 1.00 0.00 C ATOM 1068 C SER A 66 -11.072 -2.847 5.099 1.00 0.00 C ATOM 1069 O SER A 66 -10.073 -2.544 4.448 1.00 0.00 O ATOM 1070 CB SER A 66 -12.148 -1.428 6.898 1.00 0.00 C ATOM 1071 OG SER A 66 -11.519 -0.164 7.041 1.00 0.00 O ATOM 0 H SER A 66 -14.099 -2.541 5.806 1.00 0.00 H new ATOM 0 HA SER A 66 -11.975 -0.921 4.847 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.167 -1.384 7.282 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.618 -2.178 7.486 1.00 0.00 H new ATOM 0 HG SER A 66 -10.547 -0.275 6.988 1.00 0.00 H new ATOM 1077 N ASN A 67 -11.319 -4.076 5.535 1.00 0.00 N ATOM 1078 CA ASN A 67 -10.419 -5.199 5.361 1.00 0.00 C ATOM 1079 C ASN A 67 -10.231 -5.564 3.883 1.00 0.00 C ATOM 1080 O ASN A 67 -9.303 -6.296 3.569 1.00 0.00 O ATOM 1081 CB ASN A 67 -10.992 -6.409 6.107 1.00 0.00 C ATOM 1082 CG ASN A 67 -10.799 -6.448 7.618 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -11.152 -7.437 8.248 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -10.300 -5.390 8.252 1.00 0.00 N ATOM 0 H ASN A 67 -12.175 -4.321 6.032 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.445 -4.917 5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.061 -6.458 5.901 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.545 -7.309 5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.210 -5.400 9.268 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.008 -4.569 7.722 1.00 0.00 H new ATOM 1091 N LEU A 68 -11.096 -5.105 2.970 1.00 0.00 N ATOM 1092 CA LEU A 68 -11.072 -5.603 1.600 1.00 0.00 C ATOM 1093 C LEU A 68 -9.719 -5.341 0.937 1.00 0.00 C ATOM 1094 O LEU A 68 -9.343 -4.199 0.641 1.00 0.00 O ATOM 1095 CB LEU A 68 -12.218 -5.020 0.772 1.00 0.00 C ATOM 1096 CG LEU A 68 -12.266 -5.583 -0.664 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -13.223 -6.774 -0.792 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.659 -4.489 -1.658 1.00 0.00 C ATOM 0 H LEU A 68 -11.809 -4.400 3.156 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.216 -6.683 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -13.164 -5.230 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.114 -3.936 0.729 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.263 -5.941 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.221 -7.134 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.899 -7.575 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -14.231 -6.462 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.687 -4.905 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.643 -4.098 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.927 -3.682 -1.619 1.00 0.00 H new ATOM 1110 N VAL A 69 -9.039 -6.441 0.655 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.859 -6.537 -0.176 1.00 0.00 C ATOM 1112 C VAL A 69 -8.298 -6.408 -1.634 1.00 0.00 C ATOM 1113 O VAL A 69 -9.304 -6.988 -2.028 1.00 0.00 O ATOM 1114 CB VAL A 69 -7.162 -7.878 0.105 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -8.051 -9.085 -0.225 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -5.816 -7.969 -0.625 1.00 0.00 C ATOM 0 H VAL A 69 -9.319 -7.348 1.028 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.144 -5.743 0.041 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.972 -7.911 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.510 -10.006 -0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.957 -9.046 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.318 -9.062 -1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.348 -8.929 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.978 -7.881 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.165 -7.162 -0.289 1.00 0.00 H new ATOM 1126 N THR A 70 -7.575 -5.619 -2.421 1.00 0.00 N ATOM 1127 CA THR A 70 -7.736 -5.552 -3.865 1.00 0.00 C ATOM 1128 C THR A 70 -6.342 -5.543 -4.487 1.00 0.00 C ATOM 1129 O THR A 70 -5.349 -5.447 -3.755 1.00 0.00 O ATOM 1130 CB THR A 70 -8.561 -4.314 -4.247 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.898 -3.120 -3.890 1.00 0.00 O ATOM 1132 CG2 THR A 70 -9.913 -4.331 -3.535 1.00 0.00 C ATOM 0 H THR A 70 -6.848 -4.998 -2.065 1.00 0.00 H new ATOM 0 HA THR A 70 -8.284 -6.414 -4.244 1.00 0.00 H new ATOM 0 HB THR A 70 -8.697 -4.346 -5.328 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.448 -2.351 -4.148 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.484 -3.447 -3.817 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.464 -5.226 -3.823 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.756 -4.332 -2.456 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.264 -5.609 -5.815 1.00 0.00 N ATOM 1141 CA GLU A 71 -5.017 -5.601 -6.560 1.00 0.00 C ATOM 1142 C GLU A 71 -4.072 -4.521 -6.043 1.00 0.00 C ATOM 1143 O GLU A 71 -2.900 -4.778 -5.821 1.00 0.00 O ATOM 1144 CB GLU A 71 -5.263 -5.488 -8.071 1.00 0.00 C ATOM 1145 CG GLU A 71 -6.491 -4.670 -8.487 1.00 0.00 C ATOM 1146 CD GLU A 71 -6.433 -3.226 -8.006 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -5.621 -2.454 -8.565 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -7.034 -2.953 -6.937 1.00 0.00 O ATOM 0 H GLU A 71 -7.089 -5.671 -6.412 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.524 -6.559 -6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.381 -5.044 -8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.364 -6.493 -8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.578 -4.682 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.389 -5.144 -8.090 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.569 -3.311 -5.819 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.792 -2.149 -5.448 1.00 0.00 C ATOM 1157 C VAL A 72 -3.169 -2.311 -4.061 1.00 0.00 C ATOM 1158 O VAL A 72 -2.196 -1.640 -3.712 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.690 -0.911 -5.581 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -5.846 -0.891 -4.576 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -3.849 0.361 -5.516 1.00 0.00 C ATOM 0 H VAL A 72 -5.566 -3.111 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.942 -2.026 -6.119 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.166 -0.961 -6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.441 0.010 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.474 -1.769 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.447 -0.899 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.498 1.232 -5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.325 0.402 -4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.123 0.359 -6.329 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.758 -3.168 -3.231 1.00 0.00 N ATOM 1172 CA ARG A 73 -3.210 -3.480 -1.933 1.00 0.00 C ATOM 1173 C ARG A 73 -2.002 -4.382 -2.120 1.00 0.00 C ATOM 1174 O ARG A 73 -0.918 -4.065 -1.624 1.00 0.00 O ATOM 1175 CB ARG A 73 -4.287 -4.067 -1.023 1.00 0.00 C ATOM 1176 CG ARG A 73 -5.508 -3.137 -0.892 1.00 0.00 C ATOM 1177 CD ARG A 73 -5.194 -1.775 -0.242 1.00 0.00 C ATOM 1178 NE ARG A 73 -5.479 -0.616 -1.117 1.00 0.00 N ATOM 1179 CZ ARG A 73 -5.623 0.647 -0.670 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -5.456 0.883 0.637 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -5.917 1.661 -1.492 1.00 0.00 N ATOM 0 H ARG A 73 -4.625 -3.659 -3.447 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.867 -2.577 -1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.608 -5.031 -1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.865 -4.251 -0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.929 -2.966 -1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.274 -3.641 -0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.775 -1.678 0.675 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.142 -1.753 0.044 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.572 -0.783 -2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.225 0.116 1.268 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.559 1.830 1.002 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.039 1.490 -2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.019 2.605 -1.121 1.00 0.00 H new ATOM 1195 N VAL A 74 -2.179 -5.453 -2.894 1.00 0.00 N ATOM 1196 CA VAL A 74 -1.085 -6.341 -3.255 1.00 0.00 C ATOM 1197 C VAL A 74 0.033 -5.492 -3.875 1.00 0.00 C ATOM 1198 O VAL A 74 1.199 -5.568 -3.494 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.567 -7.425 -4.235 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.401 -8.365 -4.540 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.724 -8.255 -3.667 1.00 0.00 C ATOM 0 H VAL A 74 -3.081 -5.724 -3.284 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.709 -6.854 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.925 -6.922 -5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.729 -9.139 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.415 -7.799 -4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.056 -8.829 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.026 -9.005 -4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.401 -8.750 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.568 -7.601 -3.448 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.345 -4.630 -4.810 1.00 0.00 N ATOM 1212 CA TYR A 75 0.551 -3.746 -5.514 1.00 0.00 C ATOM 1213 C TYR A 75 1.331 -2.909 -4.510 1.00 0.00 C ATOM 1214 O TYR A 75 2.555 -2.940 -4.524 1.00 0.00 O ATOM 1215 CB TYR A 75 -0.230 -2.879 -6.510 1.00 0.00 C ATOM 1216 CG TYR A 75 0.551 -2.534 -7.756 1.00 0.00 C ATOM 1217 CD1 TYR A 75 1.707 -1.737 -7.671 1.00 0.00 C ATOM 1218 CD2 TYR A 75 0.164 -3.078 -8.995 1.00 0.00 C ATOM 1219 CE1 TYR A 75 2.452 -1.459 -8.828 1.00 0.00 C ATOM 1220 CE2 TYR A 75 0.894 -2.773 -10.152 1.00 0.00 C ATOM 1221 CZ TYR A 75 2.002 -1.917 -10.075 1.00 0.00 C ATOM 1222 OH TYR A 75 2.665 -1.562 -11.209 1.00 0.00 O ATOM 0 H TYR A 75 -1.317 -4.530 -5.103 1.00 0.00 H new ATOM 0 HA TYR A 75 1.268 -4.329 -6.092 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.142 -3.402 -6.797 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.534 -1.957 -6.015 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.021 -1.340 -6.717 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.695 -3.730 -9.054 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.370 -0.894 -8.758 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.603 -3.197 -11.102 1.00 0.00 H new ATOM 0 HH TYR A 75 2.224 -1.965 -11.986 1.00 0.00 H new ATOM 1232 N ASN A 76 0.651 -2.163 -3.636 1.00 0.00 N ATOM 1233 CA ASN A 76 1.367 -1.244 -2.759 1.00 0.00 C ATOM 1234 C ASN A 76 2.306 -1.962 -1.798 1.00 0.00 C ATOM 1235 O ASN A 76 3.387 -1.442 -1.532 1.00 0.00 O ATOM 1236 CB ASN A 76 0.476 -0.200 -2.073 1.00 0.00 C ATOM 1237 CG ASN A 76 -0.314 -0.643 -0.855 1.00 0.00 C ATOM 1238 OD1 ASN A 76 0.208 -0.860 0.236 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -1.629 -0.649 -0.986 1.00 0.00 N ATOM 0 H ASN A 76 -0.362 -2.177 -3.520 1.00 0.00 H new ATOM 0 HA ASN A 76 2.002 -0.657 -3.423 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.107 0.638 -1.778 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.230 0.177 -2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.221 -0.835 -0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.052 -0.468 -1.896 1.00 0.00 H new ATOM 1246 N TRP A 77 1.948 -3.142 -1.284 1.00 0.00 N ATOM 1247 CA TRP A 77 2.888 -3.858 -0.428 1.00 0.00 C ATOM 1248 C TRP A 77 4.059 -4.407 -1.264 1.00 0.00 C ATOM 1249 O TRP A 77 5.209 -4.103 -0.955 1.00 0.00 O ATOM 1250 CB TRP A 77 2.182 -4.868 0.497 1.00 0.00 C ATOM 1251 CG TRP A 77 2.435 -6.314 0.228 1.00 0.00 C ATOM 1252 CD1 TRP A 77 1.852 -7.007 -0.765 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.309 -7.269 0.908 1.00 0.00 C ATOM 1254 NE1 TRP A 77 2.386 -8.264 -0.839 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.274 -8.497 0.186 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.094 -7.253 2.080 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.011 -9.625 0.568 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 4.760 -8.416 2.513 1.00 0.00 C ATOM 1259 CH2 TRP A 77 4.783 -9.579 1.729 1.00 0.00 C ATOM 0 H TRP A 77 1.052 -3.604 -1.438 1.00 0.00 H new ATOM 0 HA TRP A 77 3.344 -3.163 0.277 1.00 0.00 H new ATOM 0 HB2 TRP A 77 2.481 -4.656 1.524 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.108 -4.693 0.435 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.075 -6.626 -1.411 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.155 -8.944 -1.563 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.185 -6.341 2.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 3.982 -10.523 -0.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.263 -8.412 3.468 1.00 0.00 H new ATOM 0 HH2 TRP A 77 5.388 -10.425 2.019 1.00 0.00 H new ATOM 1270 N PHE A 78 3.807 -5.165 -2.342 1.00 0.00 N ATOM 1271 CA PHE A 78 4.886 -5.729 -3.160 1.00 0.00 C ATOM 1272 C PHE A 78 5.797 -4.614 -3.658 1.00 0.00 C ATOM 1273 O PHE A 78 7.005 -4.669 -3.467 1.00 0.00 O ATOM 1274 CB PHE A 78 4.378 -6.600 -4.332 1.00 0.00 C ATOM 1275 CG PHE A 78 4.571 -8.111 -4.216 1.00 0.00 C ATOM 1276 CD1 PHE A 78 4.502 -8.759 -2.973 1.00 0.00 C ATOM 1277 CD2 PHE A 78 4.761 -8.895 -5.372 1.00 0.00 C ATOM 1278 CE1 PHE A 78 4.412 -10.158 -2.907 1.00 0.00 C ATOM 1279 CE2 PHE A 78 4.780 -10.302 -5.291 1.00 0.00 C ATOM 1280 CZ PHE A 78 4.549 -10.936 -4.059 1.00 0.00 C ATOM 0 H PHE A 78 2.868 -5.400 -2.665 1.00 0.00 H new ATOM 0 HA PHE A 78 5.454 -6.402 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.313 -6.405 -4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.876 -6.265 -5.242 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.518 -8.178 -2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.893 -8.413 -6.329 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.235 -10.638 -1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.972 -10.892 -6.175 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.478 -12.012 -4.003 1.00 0.00 H new ATOM 1290 N ALA A 79 5.231 -3.579 -4.272 1.00 0.00 N ATOM 1291 CA ALA A 79 5.976 -2.454 -4.815 1.00 0.00 C ATOM 1292 C ALA A 79 6.846 -1.752 -3.768 1.00 0.00 C ATOM 1293 O ALA A 79 7.733 -0.995 -4.168 1.00 0.00 O ATOM 1294 CB ALA A 79 5.021 -1.455 -5.475 1.00 0.00 C ATOM 0 H ALA A 79 4.223 -3.500 -4.407 1.00 0.00 H new ATOM 0 HA ALA A 79 6.656 -2.858 -5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.591 -0.618 -5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.481 -1.948 -6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.310 -1.087 -4.735 1.00 0.00 H new ATOM 1300 N ASN A 80 6.605 -1.978 -2.471 1.00 0.00 N ATOM 1301 CA ASN A 80 7.465 -1.530 -1.382 1.00 0.00 C ATOM 1302 C ASN A 80 8.480 -2.623 -1.030 1.00 0.00 C ATOM 1303 O ASN A 80 9.677 -2.356 -0.996 1.00 0.00 O ATOM 1304 CB ASN A 80 6.635 -1.096 -0.168 1.00 0.00 C ATOM 1305 CG ASN A 80 6.256 0.375 -0.268 1.00 0.00 C ATOM 1306 OD1 ASN A 80 7.091 1.259 -0.090 1.00 0.00 O ATOM 1307 ND2 ASN A 80 5.004 0.675 -0.587 1.00 0.00 N ATOM 0 H ASN A 80 5.785 -2.491 -2.147 1.00 0.00 H new ATOM 0 HA ASN A 80 8.023 -0.652 -1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.733 -1.705 -0.103 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.203 -1.268 0.746 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.723 1.650 -0.688 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.322 -0.070 -0.732 1.00 0.00 H new ATOM 1314 N ARG A 81 8.041 -3.865 -0.823 1.00 0.00 N ATOM 1315 CA ARG A 81 8.923 -5.008 -0.582 1.00 0.00 C ATOM 1316 C ARG A 81 10.034 -5.095 -1.631 1.00 0.00 C ATOM 1317 O ARG A 81 11.214 -5.029 -1.293 1.00 0.00 O ATOM 1318 CB ARG A 81 8.106 -6.309 -0.553 1.00 0.00 C ATOM 1319 CG ARG A 81 7.660 -6.688 0.866 1.00 0.00 C ATOM 1320 CD ARG A 81 8.493 -7.854 1.423 1.00 0.00 C ATOM 1321 NE ARG A 81 9.949 -7.675 1.261 1.00 0.00 N ATOM 1322 CZ ARG A 81 10.743 -6.883 1.999 1.00 0.00 C ATOM 1323 NH1 ARG A 81 10.235 -6.084 2.936 1.00 0.00 N ATOM 1324 NH2 ARG A 81 12.057 -6.872 1.792 1.00 0.00 N ATOM 0 H ARG A 81 7.051 -4.109 -0.818 1.00 0.00 H new ATOM 0 HA ARG A 81 9.399 -4.865 0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.228 -6.198 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.703 -7.119 -0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.757 -5.823 1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.606 -6.964 0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.267 -7.977 2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.192 -8.775 0.924 1.00 0.00 H new ATOM 0 HE ARG A 81 10.397 -8.206 0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.229 -6.068 3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.852 -5.488 3.488 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.465 -7.467 1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.657 -6.269 2.355 1.00 0.00 H new ATOM 1338 N ARG A 82 9.679 -5.217 -2.910 1.00 0.00 N ATOM 1339 CA ARG A 82 10.683 -5.264 -3.963 1.00 0.00 C ATOM 1340 C ARG A 82 11.518 -3.983 -4.000 1.00 0.00 C ATOM 1341 O ARG A 82 12.653 -4.011 -4.456 1.00 0.00 O ATOM 1342 CB ARG A 82 10.113 -5.653 -5.329 1.00 0.00 C ATOM 1343 CG ARG A 82 8.944 -4.785 -5.799 1.00 0.00 C ATOM 1344 CD ARG A 82 8.937 -4.687 -7.321 1.00 0.00 C ATOM 1345 NE ARG A 82 10.055 -3.871 -7.818 1.00 0.00 N ATOM 1346 CZ ARG A 82 9.996 -2.724 -8.511 1.00 0.00 C ATOM 1347 NH1 ARG A 82 8.840 -2.193 -8.914 1.00 0.00 N ATOM 1348 NH2 ARG A 82 11.137 -2.095 -8.769 1.00 0.00 N ATOM 0 H ARG A 82 8.715 -5.284 -3.236 1.00 0.00 H new ATOM 0 HA ARG A 82 11.364 -6.076 -3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.910 -5.599 -6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.785 -6.692 -5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.003 -5.211 -5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.024 -3.789 -5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.997 -5.687 -7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.994 -4.253 -7.654 1.00 0.00 H new ATOM 0 HE ARG A 82 10.991 -4.220 -7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.960 -2.661 -8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.836 -1.319 -9.439 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.020 -2.487 -8.443 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.130 -1.220 -9.294 1.00 0.00 H new ATOM 1362 N LYS A 83 10.997 -2.858 -3.505 1.00 0.00 N ATOM 1363 CA LYS A 83 11.791 -1.649 -3.359 1.00 0.00 C ATOM 1364 C LYS A 83 12.864 -1.843 -2.301 1.00 0.00 C ATOM 1365 O LYS A 83 14.029 -1.537 -2.551 1.00 0.00 O ATOM 1366 CB LYS A 83 10.899 -0.439 -3.037 1.00 0.00 C ATOM 1367 CG LYS A 83 10.792 0.608 -4.144 1.00 0.00 C ATOM 1368 CD LYS A 83 10.506 -0.025 -5.512 1.00 0.00 C ATOM 1369 CE LYS A 83 9.655 0.908 -6.380 1.00 0.00 C ATOM 1370 NZ LYS A 83 8.287 1.105 -5.846 1.00 0.00 N ATOM 0 H LYS A 83 10.028 -2.765 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 83 12.286 -1.446 -4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.897 -0.799 -2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.282 0.045 -2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.999 1.314 -3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.720 1.177 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.446 -0.244 -6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.988 -0.975 -5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.151 1.875 -6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.590 0.499 -7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.632 1.297 -6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.984 0.247 -5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.284 1.911 -5.188 1.00 0.00 H new ATOM 1384 N GLU A 84 12.510 -2.371 -1.135 1.00 0.00 N ATOM 1385 CA GLU A 84 13.535 -2.762 -0.192 1.00 0.00 C ATOM 1386 C GLU A 84 14.534 -3.680 -0.910 1.00 0.00 C ATOM 1387 O GLU A 84 15.750 -3.513 -0.799 1.00 0.00 O ATOM 1388 CB GLU A 84 12.914 -3.400 1.055 1.00 0.00 C ATOM 1389 CG GLU A 84 13.970 -3.484 2.162 1.00 0.00 C ATOM 1390 CD GLU A 84 13.386 -3.929 3.483 1.00 0.00 C ATOM 1391 OE1 GLU A 84 12.552 -4.857 3.476 1.00 0.00 O ATOM 1392 OE2 GLU A 84 13.815 -3.358 4.507 1.00 0.00 O ATOM 0 H GLU A 84 11.550 -2.532 -0.831 1.00 0.00 H new ATOM 0 HA GLU A 84 14.079 -1.888 0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.062 -2.810 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.538 -4.396 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.753 -4.180 1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.441 -2.509 2.286 1.00 0.00 H new ATOM 1399 N GLU A 85 14.026 -4.592 -1.738 1.00 0.00 N ATOM 1400 CA GLU A 85 14.843 -5.620 -2.358 1.00 0.00 C ATOM 1401 C GLU A 85 15.371 -5.189 -3.730 1.00 0.00 C ATOM 1402 O GLU A 85 15.589 -6.017 -4.614 1.00 0.00 O ATOM 1403 CB GLU A 85 14.050 -6.930 -2.434 1.00 0.00 C ATOM 1404 CG GLU A 85 15.046 -8.087 -2.448 1.00 0.00 C ATOM 1405 CD GLU A 85 14.382 -9.425 -2.613 1.00 0.00 C ATOM 1406 OE1 GLU A 85 13.868 -9.694 -3.720 1.00 0.00 O ATOM 1407 OE2 GLU A 85 14.450 -10.195 -1.636 1.00 0.00 O ATOM 0 H GLU A 85 13.039 -4.634 -1.994 1.00 0.00 H new ATOM 0 HA GLU A 85 15.724 -5.782 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.377 -7.018 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.432 -6.949 -3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 85 15.758 -7.937 -3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 85 15.616 -8.081 -1.519 1.00 0.00 H new ATOM 1414 N ALA A 86 15.604 -3.902 -3.934 1.00 0.00 N ATOM 1415 CA ALA A 86 16.096 -3.406 -5.210 1.00 0.00 C ATOM 1416 C ALA A 86 16.603 -1.999 -4.987 1.00 0.00 C ATOM 1417 O ALA A 86 17.797 -1.732 -5.070 1.00 0.00 O ATOM 1418 CB ALA A 86 14.979 -3.436 -6.265 1.00 0.00 C ATOM 0 H ALA A 86 15.460 -3.179 -3.229 1.00 0.00 H new ATOM 0 HA ALA A 86 16.903 -4.036 -5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.364 -3.062 -7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 86 14.628 -4.460 -6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.151 -2.808 -5.936 1.00 0.00 H new ATOM 1424 N PHE A 87 15.683 -1.123 -4.600 1.00 0.00 N ATOM 1425 CA PHE A 87 15.983 0.246 -4.257 1.00 0.00 C ATOM 1426 C PHE A 87 17.032 0.250 -3.160 1.00 0.00 C ATOM 1427 O PHE A 87 18.138 0.741 -3.354 1.00 0.00 O ATOM 1428 CB PHE A 87 14.711 0.984 -3.817 1.00 0.00 C ATOM 1429 CG PHE A 87 14.726 2.460 -4.124 1.00 0.00 C ATOM 1430 CD1 PHE A 87 15.679 3.302 -3.525 1.00 0.00 C ATOM 1431 CD2 PHE A 87 13.776 2.998 -5.009 1.00 0.00 C ATOM 1432 CE1 PHE A 87 15.685 4.672 -3.830 1.00 0.00 C ATOM 1433 CE2 PHE A 87 13.672 4.386 -5.156 1.00 0.00 C ATOM 1434 CZ PHE A 87 14.633 5.228 -4.576 1.00 0.00 C ATOM 0 H PHE A 87 14.694 -1.356 -4.517 1.00 0.00 H new ATOM 0 HA PHE A 87 16.373 0.772 -5.129 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.850 0.529 -4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 87 14.576 0.847 -2.744 1.00 0.00 H new ATOM 0 HD1 PHE A 87 16.403 2.897 -2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 87 13.129 2.343 -5.573 1.00 0.00 H new ATOM 0 HE1 PHE A 87 16.498 5.298 -3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 87 12.851 4.809 -5.716 1.00 0.00 H new ATOM 0 HZ PHE A 87 14.564 6.298 -4.703 1.00 0.00 H new ATOM 1444 N ARG A 88 16.692 -0.310 -1.998 1.00 0.00 N ATOM 1445 CA ARG A 88 17.611 -0.277 -0.872 1.00 0.00 C ATOM 1446 C ARG A 88 18.894 -1.025 -1.233 1.00 0.00 C ATOM 1447 O ARG A 88 19.996 -0.617 -0.883 1.00 0.00 O ATOM 1448 CB ARG A 88 16.965 -0.869 0.390 1.00 0.00 C ATOM 1449 CG ARG A 88 17.458 -0.194 1.678 1.00 0.00 C ATOM 1450 CD ARG A 88 16.494 0.912 2.130 1.00 0.00 C ATOM 1451 NE ARG A 88 16.159 1.864 1.056 1.00 0.00 N ATOM 1452 CZ ARG A 88 16.800 3.009 0.761 1.00 0.00 C ATOM 1453 NH1 ARG A 88 17.852 3.400 1.478 1.00 0.00 N ATOM 1454 NH2 ARG A 88 16.377 3.755 -0.263 1.00 0.00 N ATOM 0 H ARG A 88 15.805 -0.781 -1.819 1.00 0.00 H new ATOM 0 HA ARG A 88 17.858 0.762 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.882 -0.766 0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.181 -1.936 0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.556 -0.939 2.467 1.00 0.00 H new ATOM 0 HG3 ARG A 88 18.449 0.229 1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.576 0.456 2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 88 16.940 1.456 2.963 1.00 0.00 H new ATOM 0 HE ARG A 88 15.355 1.629 0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 88 18.178 2.830 2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 88 18.332 4.270 1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.573 3.455 -0.815 1.00 0.00 H new ATOM 0 HH22 ARG A 88 16.858 4.625 -0.493 1.00 0.00 H new ATOM 1468 N HIS A 89 18.732 -2.147 -1.934 1.00 0.00 N ATOM 1469 CA HIS A 89 19.833 -3.023 -2.271 1.00 0.00 C ATOM 1470 C HIS A 89 20.854 -2.318 -3.172 1.00 0.00 C ATOM 1471 O HIS A 89 22.042 -2.606 -3.069 1.00 0.00 O ATOM 1472 CB HIS A 89 19.277 -4.308 -2.902 1.00 0.00 C ATOM 1473 CG HIS A 89 20.194 -5.488 -2.717 1.00 0.00 C ATOM 1474 ND1 HIS A 89 20.080 -6.467 -1.752 1.00 0.00 N ATOM 1475 CD2 HIS A 89 21.325 -5.746 -3.440 1.00 0.00 C ATOM 1476 CE1 HIS A 89 21.118 -7.307 -1.906 1.00 0.00 C ATOM 1477 NE2 HIS A 89 21.907 -6.912 -2.925 1.00 0.00 N ATOM 0 H HIS A 89 17.828 -2.467 -2.281 1.00 0.00 H new ATOM 0 HA HIS A 89 20.374 -3.294 -1.364 1.00 0.00 H new ATOM 0 HB2 HIS A 89 18.306 -4.534 -2.461 1.00 0.00 H new ATOM 0 HB3 HIS A 89 19.113 -4.144 -3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 89 21.703 -5.156 -4.262 1.00 0.00 H new ATOM 0 HE1 HIS A 89 21.296 -8.180 -1.296 1.00 0.00 H new ATOM 0 HE2 HIS A 89 22.757 -7.370 -3.255 1.00 0.00 H new ATOM 1485 N LYS A 90 20.400 -1.442 -4.070 1.00 0.00 N ATOM 1486 CA LYS A 90 21.241 -0.857 -5.106 1.00 0.00 C ATOM 1487 C LYS A 90 21.571 0.602 -4.795 1.00 0.00 C ATOM 1488 O LYS A 90 22.745 0.973 -4.739 1.00 0.00 O ATOM 1489 CB LYS A 90 20.567 -1.091 -6.465 1.00 0.00 C ATOM 1490 CG LYS A 90 21.526 -0.957 -7.659 1.00 0.00 C ATOM 1491 CD LYS A 90 21.046 -1.751 -8.889 1.00 0.00 C ATOM 1492 CE LYS A 90 20.830 -3.263 -8.658 1.00 0.00 C ATOM 1493 NZ LYS A 90 21.933 -3.941 -7.934 1.00 0.00 N ATOM 0 H LYS A 90 19.433 -1.119 -4.096 1.00 0.00 H new ATOM 0 HA LYS A 90 22.215 -1.345 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 90 20.125 -2.087 -6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.751 -0.379 -6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 90 21.626 0.095 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 90 22.516 -1.307 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 90 20.109 -1.316 -9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 90 21.774 -1.623 -9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 90 19.905 -3.403 -8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 90 20.694 -3.749 -9.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 21.714 -4.953 -7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 22.819 -3.827 -8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 22.040 -3.518 -6.990 1.00 0.00 H new ATOM 1507 N LEU A 91 20.540 1.418 -4.581 1.00 0.00 N ATOM 1508 CA LEU A 91 20.610 2.772 -4.110 1.00 0.00 C ATOM 1509 C LEU A 91 21.019 2.754 -2.632 1.00 0.00 C ATOM 1510 O LEU A 91 21.939 2.035 -2.248 1.00 0.00 O ATOM 1511 CB LEU A 91 19.304 3.527 -4.427 1.00 0.00 C ATOM 1512 CG LEU A 91 18.959 3.652 -5.923 1.00 0.00 C ATOM 1513 CD1 LEU A 91 20.172 3.855 -6.834 1.00 0.00 C ATOM 1514 CD2 LEU A 91 18.082 2.517 -6.443 1.00 0.00 C ATOM 0 H LEU A 91 19.579 1.118 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 91 21.378 3.340 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 91 18.481 3.021 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 91 19.371 4.529 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 91 18.373 4.570 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 91 19.840 3.933 -7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.692 4.770 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.849 3.007 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 91 17.879 2.670 -7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 91 18.598 1.567 -6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 91 17.142 2.502 -5.892 1.00 0.00 H new ATOM 1526 N ALA A 92 20.340 3.526 -1.786 1.00 0.00 N ATOM 1527 CA ALA A 92 20.599 3.611 -0.356 1.00 0.00 C ATOM 1528 C ALA A 92 21.925 4.265 -0.003 1.00 0.00 C ATOM 1529 O ALA A 92 22.327 4.234 1.159 1.00 0.00 O ATOM 1530 CB ALA A 92 20.469 2.261 0.351 1.00 0.00 C ATOM 0 H ALA A 92 19.573 4.126 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 92 19.814 4.269 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 92 20.673 2.386 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.458 1.877 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 92 21.184 1.557 -0.075 1.00 0.00 H new ATOM 1536 N MET A 93 22.551 4.944 -0.955 1.00 0.00 N ATOM 1537 CA MET A 93 23.563 5.942 -0.655 1.00 0.00 C ATOM 1538 C MET A 93 22.967 7.328 -0.881 1.00 0.00 C ATOM 1539 O MET A 93 23.709 8.300 -0.965 1.00 0.00 O ATOM 1540 CB MET A 93 24.826 5.686 -1.495 1.00 0.00 C ATOM 1541 CG MET A 93 25.674 4.524 -0.954 1.00 0.00 C ATOM 1542 SD MET A 93 24.936 2.868 -0.975 1.00 0.00 S ATOM 1543 CE MET A 93 26.256 1.928 -0.178 1.00 0.00 C ATOM 0 H MET A 93 22.371 4.818 -1.951 1.00 0.00 H new ATOM 0 HA MET A 93 23.872 5.878 0.388 1.00 0.00 H new ATOM 0 HB2 MET A 93 24.536 5.470 -2.523 1.00 0.00 H new ATOM 0 HB3 MET A 93 25.432 6.592 -1.518 1.00 0.00 H new ATOM 0 HG2 MET A 93 26.599 4.487 -1.529 1.00 0.00 H new ATOM 0 HG3 MET A 93 25.947 4.758 0.075 1.00 0.00 H new ATOM 0 HE1 MET A 93 25.966 0.880 -0.109 1.00 0.00 H new ATOM 0 HE2 MET A 93 27.170 2.014 -0.766 1.00 0.00 H new ATOM 0 HE3 MET A 93 26.430 2.323 0.823 1.00 0.00 H new ATOM 1553 N ASP A 94 21.634 7.422 -0.989 1.00 0.00 N ATOM 1554 CA ASP A 94 20.906 8.657 -1.243 1.00 0.00 C ATOM 1555 C ASP A 94 19.385 8.428 -1.247 1.00 0.00 C ATOM 1556 O ASP A 94 18.768 8.435 -2.312 1.00 0.00 O ATOM 1557 CB ASP A 94 21.337 9.276 -2.592 1.00 0.00 C ATOM 1558 CG ASP A 94 20.860 10.709 -2.702 1.00 0.00 C ATOM 1559 OD1 ASP A 94 20.396 11.265 -1.685 1.00 0.00 O ATOM 1560 OD2 ASP A 94 20.902 11.254 -3.825 1.00 0.00 O ATOM 0 H ASP A 94 21.021 6.612 -0.898 1.00 0.00 H new ATOM 0 HA ASP A 94 21.148 9.346 -0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 94 22.423 9.241 -2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 94 20.929 8.688 -3.414 1.00 0.00 H new ATOM 1565 N THR A 95 18.747 8.175 -0.101 1.00 0.00 N ATOM 1566 CA THR A 95 17.281 8.190 -0.033 1.00 0.00 C ATOM 1567 C THR A 95 16.732 8.261 1.397 1.00 0.00 C ATOM 1568 O THR A 95 17.461 8.047 2.370 1.00 0.00 O ATOM 1569 CB THR A 95 16.632 6.991 -0.766 1.00 0.00 C ATOM 1570 OG1 THR A 95 17.570 6.067 -1.298 1.00 0.00 O ATOM 1571 CG2 THR A 95 15.691 7.473 -1.875 1.00 0.00 C ATOM 0 H THR A 95 19.213 7.960 0.781 1.00 0.00 H new ATOM 0 HA THR A 95 17.005 9.110 -0.547 1.00 0.00 H new ATOM 0 HB THR A 95 16.064 6.456 -0.004 1.00 0.00 H new ATOM 0 HG1 THR A 95 17.803 6.328 -2.213 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.247 6.612 -2.375 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.902 8.087 -1.441 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.254 8.063 -2.599 1.00 0.00 H new ATOM 1579 N TYR A 96 15.422 8.513 1.479 1.00 0.00 N ATOM 1580 CA TYR A 96 14.549 8.368 2.640 1.00 0.00 C ATOM 1581 C TYR A 96 14.131 6.892 2.795 1.00 0.00 C ATOM 1582 O TYR A 96 14.741 6.023 2.169 1.00 0.00 O ATOM 1583 CB TYR A 96 13.354 9.324 2.457 1.00 0.00 C ATOM 1584 CG TYR A 96 12.447 9.029 1.273 1.00 0.00 C ATOM 1585 CD1 TYR A 96 12.799 9.492 -0.007 1.00 0.00 C ATOM 1586 CD2 TYR A 96 11.247 8.312 1.439 1.00 0.00 C ATOM 1587 CE1 TYR A 96 12.057 9.102 -1.131 1.00 0.00 C ATOM 1588 CE2 TYR A 96 10.458 7.993 0.320 1.00 0.00 C ATOM 1589 CZ TYR A 96 10.891 8.340 -0.972 1.00 0.00 C ATOM 1590 OH TYR A 96 10.222 7.881 -2.067 1.00 0.00 O ATOM 0 H TYR A 96 14.906 8.851 0.667 1.00 0.00 H new ATOM 0 HA TYR A 96 15.059 8.638 3.565 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.753 9.302 3.366 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.737 10.339 2.353 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.646 10.152 -0.125 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.932 8.007 2.426 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.384 9.389 -2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.517 7.480 0.453 1.00 0.00 H new ATOM 0 HH TYR A 96 9.437 7.370 -1.780 1.00 0.00 H new ATOM 1600 N LYS A 97 13.120 6.575 3.616 1.00 0.00 N ATOM 1601 CA LYS A 97 12.701 5.195 3.862 1.00 0.00 C ATOM 1602 C LYS A 97 12.178 4.513 2.592 1.00 0.00 C ATOM 1603 O LYS A 97 12.816 3.581 2.103 1.00 0.00 O ATOM 1604 CB LYS A 97 11.649 5.105 4.970 1.00 0.00 C ATOM 1605 CG LYS A 97 12.193 5.391 6.371 1.00 0.00 C ATOM 1606 CD LYS A 97 11.151 5.062 7.452 1.00 0.00 C ATOM 1607 CE LYS A 97 9.843 5.875 7.380 1.00 0.00 C ATOM 1608 NZ LYS A 97 8.862 5.382 6.389 1.00 0.00 N ATOM 0 H LYS A 97 12.573 7.269 4.126 1.00 0.00 H new ATOM 0 HA LYS A 97 13.595 4.665 4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.846 5.810 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.209 4.108 4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.095 4.802 6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.479 6.440 6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.904 4.002 7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.605 5.222 8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.376 5.874 8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.088 6.911 7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 7.924 5.317 6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.820 6.040 5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.152 4.442 6.052 1.00 0.00 H new ATOM 1622 N LEU A 98 11.003 4.955 2.123 1.00 0.00 N ATOM 1623 CA LEU A 98 10.107 4.228 1.226 1.00 0.00 C ATOM 1624 C LEU A 98 9.921 2.773 1.675 1.00 0.00 C ATOM 1625 O LEU A 98 10.604 1.867 1.197 1.00 0.00 O ATOM 1626 CB LEU A 98 10.371 4.422 -0.282 1.00 0.00 C ATOM 1627 CG LEU A 98 11.765 4.086 -0.831 1.00 0.00 C ATOM 1628 CD1 LEU A 98 11.646 3.671 -2.297 1.00 0.00 C ATOM 1629 CD2 LEU A 98 12.741 5.266 -0.745 1.00 0.00 C ATOM 0 H LEU A 98 10.638 5.874 2.374 1.00 0.00 H new ATOM 0 HA LEU A 98 9.133 4.706 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.646 3.817 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.162 5.464 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 98 12.159 3.277 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 98 12.635 3.432 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.003 2.795 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 98 11.216 4.490 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 98 13.709 4.968 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 98 12.350 6.104 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.858 5.566 0.296 1.00 0.00 H new ATOM 1641 N ASN A 99 8.987 2.578 2.609 1.00 0.00 N ATOM 1642 CA ASN A 99 8.490 1.291 3.078 1.00 0.00 C ATOM 1643 C ASN A 99 6.983 1.457 3.284 1.00 0.00 C ATOM 1644 O ASN A 99 6.210 0.528 2.976 1.00 0.00 O ATOM 1645 CB ASN A 99 9.164 0.888 4.401 1.00 0.00 C ATOM 1646 CG ASN A 99 8.504 1.573 5.599 1.00 0.00 C ATOM 1647 OD1 ASN A 99 8.770 2.740 5.891 1.00 0.00 O ATOM 1648 ND2 ASN A 99 7.615 0.876 6.293 1.00 0.00 N ATOM 1649 OXT ASN A 99 6.564 2.602 3.561 1.00 0.00 O ATOM 0 H ASN A 99 8.535 3.360 3.082 1.00 0.00 H new ATOM 0 HA ASN A 99 8.711 0.506 2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.109 -0.194 4.524 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.221 1.152 4.367 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.137 1.305 7.085 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.409 -0.089 6.035 1.00 0.00 H new TER 1656 ASN A 99