USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 822 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 62 THR OG1 : rot -160:sc= -4.12! USER MOD Set 1.2: A 65 THR OG1 : rot 60:sc= -5.66! USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 58 THR OG1 : rot 15:sc= -6.56! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.6!) USER MOD Single : A 4 ASN : amide:sc= -6.23! C(o=-6.2!,f=-5!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0908 USER MOD Single : A 10 GLN : amide:sc=-0.00942 X(o=-0.0094,f=0) USER MOD Single : A 13 GLN : amide:sc=0.000708 X(o=0.00071,f=0.046) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 24 THR OG1 : rot -83:sc= -1.03 USER MOD Single : A 29 SER OG : rot 180:sc= -1.01 USER MOD Single : A 31 SER OG : rot 180:sc= -0.729! USER MOD Single : A 32 HIS : no HE2:sc= -3.31 K(o=-3.3,f=-6.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -12:sc= -0.634! USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0147 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0804 USER MOD Single : A 67 THR OG1 : rot -130:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.0601 X(o=-0.06,f=0) USER MOD Single : A 73 GLN : amide:sc=-0.00656 X(o=-0.0066,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.0588 K(o=-0.059,f=-0.58) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -119:sc= 0.177! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 58:sc= -0.0399 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.425 10.783 4.938 1.00 0.00 N ATOM 2 CA MET A 1 -16.152 10.249 5.393 1.00 0.00 C ATOM 3 C MET A 1 -15.110 11.361 5.533 1.00 0.00 C ATOM 4 O MET A 1 -14.562 11.831 4.537 1.00 0.00 O ATOM 5 CB MET A 1 -15.652 9.202 4.397 1.00 0.00 C ATOM 6 CG MET A 1 -16.139 7.803 4.781 1.00 0.00 C ATOM 7 SD MET A 1 -15.356 7.278 6.296 1.00 0.00 S ATOM 8 CE MET A 1 -16.759 6.570 7.142 1.00 0.00 C ATOM 0 H1 MET A 1 -18.115 10.010 4.851 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.774 11.482 5.625 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.299 11.240 4.012 1.00 0.00 H new ATOM 0 HA MET A 1 -16.300 9.791 6.371 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.003 9.451 3.395 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.563 9.216 4.366 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.222 7.807 4.904 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.912 7.098 3.981 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.444 6.191 8.114 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.524 7.334 7.281 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.167 5.752 6.548 1.00 0.00 H new ATOM 18 N GLN A 2 -14.868 11.748 6.777 1.00 0.00 N ATOM 19 CA GLN A 2 -13.901 12.795 7.059 1.00 0.00 C ATOM 20 C GLN A 2 -12.483 12.222 7.062 1.00 0.00 C ATOM 21 O GLN A 2 -11.594 12.752 6.397 1.00 0.00 O ATOM 22 CB GLN A 2 -14.215 13.487 8.387 1.00 0.00 C ATOM 23 CG GLN A 2 -14.786 14.887 8.154 1.00 0.00 C ATOM 24 CD GLN A 2 -14.289 15.867 9.220 1.00 0.00 C ATOM 25 OE1 GLN A 2 -13.325 15.619 9.926 1.00 0.00 O ATOM 26 NE2 GLN A 2 -14.998 16.989 9.295 1.00 0.00 N ATOM 0 H GLN A 2 -15.325 11.356 7.600 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.967 13.545 6.271 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.929 12.889 8.953 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.309 13.555 8.989 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.496 15.242 7.165 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.875 14.847 8.171 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -15.794 17.132 8.673 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -14.746 17.707 9.974 1.00 0.00 H new ATOM 35 N PRO A 3 -12.311 11.117 7.837 1.00 0.00 N ATOM 36 CA PRO A 3 -11.016 10.466 7.934 1.00 0.00 C ATOM 37 C PRO A 3 -10.707 9.667 6.666 1.00 0.00 C ATOM 38 O PRO A 3 -11.535 9.589 5.760 1.00 0.00 O ATOM 39 CB PRO A 3 -11.106 9.596 9.177 1.00 0.00 C ATOM 40 CG PRO A 3 -12.589 9.433 9.465 1.00 0.00 C ATOM 41 CD PRO A 3 -13.341 10.462 8.637 1.00 0.00 C ATOM 0 HA PRO A 3 -10.193 11.176 8.019 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.632 8.629 9.012 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.594 10.063 10.018 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.918 8.425 9.212 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.790 9.577 10.527 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.093 9.989 8.005 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.863 11.177 9.273 1.00 0.00 H new ATOM 49 N ASN A 4 -9.512 9.094 6.643 1.00 0.00 N ATOM 50 CA ASN A 4 -9.083 8.304 5.501 1.00 0.00 C ATOM 51 C ASN A 4 -9.433 6.835 5.743 1.00 0.00 C ATOM 52 O ASN A 4 -9.943 6.481 6.805 1.00 0.00 O ATOM 53 CB ASN A 4 -7.570 8.404 5.300 1.00 0.00 C ATOM 54 CG ASN A 4 -7.200 8.222 3.826 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.578 7.251 3.431 1.00 0.00 O ATOM 56 ND2 ASN A 4 -7.616 9.210 3.038 1.00 0.00 N ATOM 0 H ASN A 4 -8.828 9.161 7.397 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.590 8.687 4.615 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.216 9.374 5.651 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.069 7.645 5.901 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.418 9.182 2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.133 9.995 3.434 1.00 0.00 H new ATOM 63 N ASP A 5 -9.144 6.018 4.741 1.00 0.00 N ATOM 64 CA ASP A 5 -9.421 4.594 4.832 1.00 0.00 C ATOM 65 C ASP A 5 -8.105 3.833 5.003 1.00 0.00 C ATOM 66 O ASP A 5 -8.019 2.910 5.811 1.00 0.00 O ATOM 67 CB ASP A 5 -10.101 4.083 3.560 1.00 0.00 C ATOM 68 CG ASP A 5 -11.413 4.784 3.201 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.947 5.580 3.988 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.895 4.480 2.044 1.00 0.00 O ATOM 0 H ASP A 5 -8.721 6.315 3.862 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.082 4.432 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.408 4.193 2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.296 3.017 3.674 1.00 0.00 H new ATOM 76 N ILE A 6 -7.113 4.248 4.230 1.00 0.00 N ATOM 77 CA ILE A 6 -5.806 3.617 4.286 1.00 0.00 C ATOM 78 C ILE A 6 -4.780 4.514 3.589 1.00 0.00 C ATOM 79 O ILE A 6 -5.063 5.086 2.538 1.00 0.00 O ATOM 80 CB ILE A 6 -5.870 2.199 3.714 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.469 1.602 3.570 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.643 2.175 2.394 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.376 0.246 4.272 1.00 0.00 C ATOM 0 H ILE A 6 -7.188 5.014 3.561 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.482 3.505 5.321 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.416 1.571 4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.226 1.486 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.733 2.286 3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.674 1.156 2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.660 2.530 2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.147 2.822 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.370 -0.156 4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.596 0.369 5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.096 -0.443 3.830 1.00 0.00 H new ATOM 95 N THR A 7 -3.611 4.610 4.204 1.00 0.00 N ATOM 96 CA THR A 7 -2.542 5.428 3.657 1.00 0.00 C ATOM 97 C THR A 7 -1.518 4.552 2.932 1.00 0.00 C ATOM 98 O THR A 7 -1.637 3.328 2.925 1.00 0.00 O ATOM 99 CB THR A 7 -1.940 6.247 4.801 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.870 5.327 5.887 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.887 7.341 5.299 1.00 0.00 C ATOM 0 H THR A 7 -3.380 4.135 5.076 1.00 0.00 H new ATOM 0 HA THR A 7 -2.920 6.122 2.906 1.00 0.00 H new ATOM 0 HB THR A 7 -1.005 6.699 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.489 5.775 6.671 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.412 7.892 6.110 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.116 8.024 4.481 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.809 6.887 5.661 1.00 0.00 H new ATOM 109 N PHE A 8 -0.534 5.214 2.341 1.00 0.00 N ATOM 110 CA PHE A 8 0.510 4.511 1.615 1.00 0.00 C ATOM 111 C PHE A 8 1.759 5.383 1.469 1.00 0.00 C ATOM 112 O PHE A 8 1.673 6.527 1.025 1.00 0.00 O ATOM 113 CB PHE A 8 -0.045 4.198 0.224 1.00 0.00 C ATOM 114 CG PHE A 8 -1.370 3.434 0.240 1.00 0.00 C ATOM 115 CD1 PHE A 8 -2.546 4.113 0.311 1.00 0.00 C ATOM 116 CD2 PHE A 8 -1.372 2.075 0.182 1.00 0.00 C ATOM 117 CE1 PHE A 8 -3.776 3.404 0.326 1.00 0.00 C ATOM 118 CE2 PHE A 8 -2.602 1.366 0.197 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.778 2.045 0.268 1.00 0.00 C ATOM 0 H PHE A 8 -0.438 6.229 2.350 1.00 0.00 H new ATOM 0 HA PHE A 8 0.792 3.606 2.153 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.183 5.133 -0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.692 3.614 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.544 5.192 0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.438 1.535 0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.710 3.944 0.383 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.604 0.287 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.713 1.505 0.278 1.00 0.00 H new ATOM 129 N PHE A 9 2.890 4.810 1.851 1.00 0.00 N ATOM 130 CA PHE A 9 4.155 5.521 1.768 1.00 0.00 C ATOM 131 C PHE A 9 4.205 6.406 0.522 1.00 0.00 C ATOM 132 O PHE A 9 3.530 6.130 -0.469 1.00 0.00 O ATOM 133 CB PHE A 9 5.257 4.464 1.673 1.00 0.00 C ATOM 134 CG PHE A 9 4.807 3.152 1.027 1.00 0.00 C ATOM 135 CD1 PHE A 9 4.226 2.184 1.787 1.00 0.00 C ATOM 136 CD2 PHE A 9 4.987 2.953 -0.306 1.00 0.00 C ATOM 137 CE1 PHE A 9 3.808 0.967 1.187 1.00 0.00 C ATOM 138 CE2 PHE A 9 4.569 1.735 -0.905 1.00 0.00 C ATOM 139 CZ PHE A 9 3.989 0.768 -0.146 1.00 0.00 C ATOM 0 H PHE A 9 2.958 3.861 2.219 1.00 0.00 H new ATOM 0 HA PHE A 9 4.280 6.161 2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.089 4.872 1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.632 4.254 2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.083 2.341 2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.448 3.721 -0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.346 0.199 1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.712 1.577 -1.964 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.672 -0.158 -0.602 1.00 0.00 H new ATOM 149 N GLN A 10 5.012 7.454 0.611 1.00 0.00 N ATOM 150 CA GLN A 10 5.159 8.382 -0.497 1.00 0.00 C ATOM 151 C GLN A 10 5.432 7.619 -1.795 1.00 0.00 C ATOM 152 O GLN A 10 4.807 7.887 -2.820 1.00 0.00 O ATOM 153 CB GLN A 10 6.266 9.400 -0.216 1.00 0.00 C ATOM 154 CG GLN A 10 6.299 10.486 -1.294 1.00 0.00 C ATOM 155 CD GLN A 10 7.715 10.670 -1.844 1.00 0.00 C ATOM 156 OE1 GLN A 10 8.234 9.849 -2.582 1.00 0.00 O ATOM 157 NE2 GLN A 10 8.308 11.791 -1.444 1.00 0.00 N ATOM 0 H GLN A 10 5.571 7.680 1.434 1.00 0.00 H new ATOM 0 HA GLN A 10 4.225 8.932 -0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.106 9.857 0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.230 8.893 -0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.622 10.219 -2.105 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.942 11.428 -0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.816 12.435 -0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.255 12.006 -1.756 1.00 0.00 H new ATOM 166 N ARG A 11 6.367 6.684 -1.710 1.00 0.00 N ATOM 167 CA ARG A 11 6.730 5.881 -2.865 1.00 0.00 C ATOM 168 C ARG A 11 5.475 5.322 -3.539 1.00 0.00 C ATOM 169 O ARG A 11 5.442 5.156 -4.757 1.00 0.00 O ATOM 170 CB ARG A 11 7.644 4.721 -2.464 1.00 0.00 C ATOM 171 CG ARG A 11 8.743 5.194 -1.510 1.00 0.00 C ATOM 172 CD ARG A 11 10.121 4.736 -1.992 1.00 0.00 C ATOM 173 NE ARG A 11 10.850 5.873 -2.596 1.00 0.00 N ATOM 174 CZ ARG A 11 11.872 5.740 -3.468 1.00 0.00 C ATOM 175 NH1 ARG A 11 12.295 4.515 -3.846 1.00 0.00 N ATOM 176 NH2 ARG A 11 12.451 6.826 -3.946 1.00 0.00 N ATOM 0 H ARG A 11 6.884 6.465 -0.859 1.00 0.00 H new ATOM 0 HA ARG A 11 7.265 6.526 -3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.055 3.938 -1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.094 4.283 -3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.722 6.281 -1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.555 4.803 -0.510 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.691 4.331 -1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.012 3.934 -2.722 1.00 0.00 H new ATOM 0 HE ARG A 11 10.562 6.817 -2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.842 3.681 -3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.068 4.423 -4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.125 7.748 -3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.225 6.743 -4.606 1.00 0.00 H new ATOM 189 N PHE A 12 4.473 5.048 -2.717 1.00 0.00 N ATOM 190 CA PHE A 12 3.219 4.512 -3.218 1.00 0.00 C ATOM 191 C PHE A 12 2.392 5.601 -3.904 1.00 0.00 C ATOM 192 O PHE A 12 1.666 5.326 -4.858 1.00 0.00 O ATOM 193 CB PHE A 12 2.443 3.984 -2.010 1.00 0.00 C ATOM 194 CG PHE A 12 1.823 2.602 -2.223 1.00 0.00 C ATOM 195 CD1 PHE A 12 1.400 2.230 -3.461 1.00 0.00 C ATOM 196 CD2 PHE A 12 1.695 1.745 -1.174 1.00 0.00 C ATOM 197 CE1 PHE A 12 0.825 0.946 -3.659 1.00 0.00 C ATOM 198 CE2 PHE A 12 1.120 0.462 -1.372 1.00 0.00 C ATOM 199 CZ PHE A 12 0.697 0.090 -2.610 1.00 0.00 C ATOM 0 H PHE A 12 4.504 5.187 -1.707 1.00 0.00 H new ATOM 0 HA PHE A 12 3.416 3.728 -3.949 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.113 3.942 -1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.652 4.691 -1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.501 2.911 -4.293 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.031 2.041 -0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.490 0.650 -4.642 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.019 -0.219 -0.540 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.259 -0.886 -2.760 1.00 0.00 H new ATOM 209 N GLN A 13 2.530 6.815 -3.392 1.00 0.00 N ATOM 210 CA GLN A 13 1.805 7.947 -3.944 1.00 0.00 C ATOM 211 C GLN A 13 2.286 8.244 -5.365 1.00 0.00 C ATOM 212 O GLN A 13 1.479 8.507 -6.256 1.00 0.00 O ATOM 213 CB GLN A 13 1.948 9.179 -3.048 1.00 0.00 C ATOM 214 CG GLN A 13 0.637 9.484 -2.321 1.00 0.00 C ATOM 215 CD GLN A 13 0.012 10.782 -2.838 1.00 0.00 C ATOM 216 OE1 GLN A 13 0.343 11.874 -2.407 1.00 0.00 O ATOM 217 NE2 GLN A 13 -0.906 10.601 -3.783 1.00 0.00 N ATOM 0 H GLN A 13 3.133 7.040 -2.601 1.00 0.00 H new ATOM 0 HA GLN A 13 0.747 7.690 -3.986 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.742 9.013 -2.320 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.243 10.039 -3.650 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.061 8.659 -2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.822 9.567 -1.250 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.135 9.658 -4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.381 11.405 -4.193 1.00 0.00 H new ATOM 226 N ASP A 14 3.599 8.191 -5.535 1.00 0.00 N ATOM 227 CA ASP A 14 4.198 8.451 -6.833 1.00 0.00 C ATOM 228 C ASP A 14 3.859 7.302 -7.785 1.00 0.00 C ATOM 229 O ASP A 14 3.356 7.530 -8.884 1.00 0.00 O ATOM 230 CB ASP A 14 5.721 8.544 -6.728 1.00 0.00 C ATOM 231 CG ASP A 14 6.477 8.272 -8.031 1.00 0.00 C ATOM 232 OD1 ASP A 14 7.363 7.407 -8.087 1.00 0.00 O ATOM 233 OD2 ASP A 14 6.118 9.003 -9.032 1.00 0.00 O ATOM 0 H ASP A 14 4.265 7.972 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 14 3.804 9.397 -7.203 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.986 9.540 -6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.062 7.836 -5.973 1.00 0.00 H new ATOM 239 N ASP A 15 4.148 6.092 -7.328 1.00 0.00 N ATOM 240 CA ASP A 15 3.880 4.908 -8.126 1.00 0.00 C ATOM 241 C ASP A 15 2.403 4.892 -8.528 1.00 0.00 C ATOM 242 O ASP A 15 2.076 4.674 -9.693 1.00 0.00 O ATOM 243 CB ASP A 15 4.167 3.632 -7.332 1.00 0.00 C ATOM 244 CG ASP A 15 4.996 2.581 -8.073 1.00 0.00 C ATOM 245 OD1 ASP A 15 4.448 1.681 -8.726 1.00 0.00 O ATOM 246 OD2 ASP A 15 6.274 2.715 -7.960 1.00 0.00 O ATOM 0 H ASP A 15 4.565 5.906 -6.416 1.00 0.00 H new ATOM 0 HA ASP A 15 4.526 4.940 -9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.689 3.903 -6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.218 3.183 -7.039 1.00 0.00 H new ATOM 252 N ILE A 16 1.552 5.125 -7.540 1.00 0.00 N ATOM 253 CA ILE A 16 0.118 5.141 -7.775 1.00 0.00 C ATOM 254 C ILE A 16 -0.203 6.158 -8.872 1.00 0.00 C ATOM 255 O ILE A 16 -0.967 5.866 -9.790 1.00 0.00 O ATOM 256 CB ILE A 16 -0.637 5.386 -6.468 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.688 4.115 -5.617 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.033 5.951 -6.739 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.984 4.447 -4.153 1.00 0.00 C ATOM 0 H ILE A 16 1.828 5.304 -6.575 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.220 4.169 -8.133 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.092 6.136 -5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.455 3.445 -6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.263 3.587 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.549 6.116 -5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.945 6.896 -7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.601 5.243 -7.343 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.015 3.526 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.202 5.098 -3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.947 4.954 -4.082 1.00 0.00 H new ATOM 271 N LEU A 17 0.396 7.332 -8.739 1.00 0.00 N ATOM 272 CA LEU A 17 0.183 8.395 -9.707 1.00 0.00 C ATOM 273 C LEU A 17 0.577 7.898 -11.099 1.00 0.00 C ATOM 274 O LEU A 17 0.090 8.409 -12.106 1.00 0.00 O ATOM 275 CB LEU A 17 0.918 9.666 -9.277 1.00 0.00 C ATOM 276 CG LEU A 17 2.042 10.137 -10.203 1.00 0.00 C ATOM 277 CD1 LEU A 17 1.491 11.003 -11.337 1.00 0.00 C ATOM 278 CD2 LEU A 17 3.138 10.855 -9.414 1.00 0.00 C ATOM 0 H LEU A 17 1.029 7.571 -7.976 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.872 8.664 -9.751 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.188 10.471 -9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.337 9.501 -8.284 1.00 0.00 H new ATOM 0 HG LEU A 17 2.498 9.259 -10.661 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.310 11.324 -11.980 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.776 10.425 -11.922 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.994 11.878 -10.918 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.924 11.179 -10.096 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.714 11.723 -8.910 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.558 10.175 -8.673 1.00 0.00 H new ATOM 290 N ALA A 18 1.456 6.906 -11.111 1.00 0.00 N ATOM 291 CA ALA A 18 1.921 6.334 -12.363 1.00 0.00 C ATOM 292 C ALA A 18 0.832 5.429 -12.941 1.00 0.00 C ATOM 293 O ALA A 18 0.994 4.870 -14.025 1.00 0.00 O ATOM 294 CB ALA A 18 3.235 5.586 -12.126 1.00 0.00 C ATOM 0 H ALA A 18 1.858 6.484 -10.274 1.00 0.00 H new ATOM 0 HA ALA A 18 2.119 7.119 -13.093 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.584 5.157 -13.065 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.984 6.279 -11.743 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.074 4.789 -11.400 1.00 0.00 H new ATOM 300 N GLY A 19 -0.255 5.312 -12.192 1.00 0.00 N ATOM 301 CA GLY A 19 -1.371 4.484 -12.616 1.00 0.00 C ATOM 302 C GLY A 19 -0.920 3.045 -12.873 1.00 0.00 C ATOM 303 O GLY A 19 -1.012 2.552 -13.996 1.00 0.00 O ATOM 0 H GLY A 19 -0.386 5.777 -11.294 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.147 4.494 -11.851 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.812 4.898 -13.523 1.00 0.00 H new ATOM 307 N ARG A 20 -0.442 2.411 -11.812 1.00 0.00 N ATOM 308 CA ARG A 20 0.023 1.038 -11.908 1.00 0.00 C ATOM 309 C ARG A 20 -0.657 0.171 -10.846 1.00 0.00 C ATOM 310 O ARG A 20 -0.225 0.140 -9.695 1.00 0.00 O ATOM 311 CB ARG A 20 1.540 0.957 -11.727 1.00 0.00 C ATOM 312 CG ARG A 20 2.262 1.117 -13.067 1.00 0.00 C ATOM 313 CD ARG A 20 3.659 0.496 -13.014 1.00 0.00 C ATOM 314 NE ARG A 20 4.042 -0.002 -14.354 1.00 0.00 N ATOM 315 CZ ARG A 20 5.179 -0.683 -14.612 1.00 0.00 C ATOM 316 NH1 ARG A 20 6.055 -0.953 -13.622 1.00 0.00 N ATOM 317 NH2 ARG A 20 5.420 -1.082 -15.847 1.00 0.00 N ATOM 0 H ARG A 20 -0.367 2.823 -10.882 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.234 0.670 -12.901 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.869 1.734 -11.037 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.806 -0.000 -11.279 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.679 0.643 -13.857 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.340 2.175 -13.318 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.382 1.236 -12.671 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.675 -0.322 -12.294 1.00 0.00 H new ATOM 0 HE ARG A 20 3.407 0.181 -15.131 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.861 -0.642 -12.670 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.912 -1.468 -13.825 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.752 -0.875 -16.589 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.274 -1.598 -16.059 1.00 0.00 H new ATOM 330 N LYS A 21 -1.710 -0.511 -11.271 1.00 0.00 N ATOM 331 CA LYS A 21 -2.454 -1.376 -10.371 1.00 0.00 C ATOM 332 C LYS A 21 -1.484 -2.046 -9.396 1.00 0.00 C ATOM 333 O LYS A 21 -0.743 -2.951 -9.775 1.00 0.00 O ATOM 334 CB LYS A 21 -3.310 -2.366 -11.165 1.00 0.00 C ATOM 335 CG LYS A 21 -4.169 -1.640 -12.202 1.00 0.00 C ATOM 336 CD LYS A 21 -3.602 -1.826 -13.611 1.00 0.00 C ATOM 337 CE LYS A 21 -4.663 -2.390 -14.558 1.00 0.00 C ATOM 338 NZ LYS A 21 -4.073 -2.674 -15.886 1.00 0.00 N ATOM 0 H LYS A 21 -2.066 -0.482 -12.226 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.154 -0.792 -9.774 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.666 -3.090 -11.664 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.951 -2.925 -10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.190 -2.020 -12.164 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.215 -0.578 -11.962 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.241 -0.870 -13.991 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.745 -2.499 -13.576 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.085 -3.303 -14.138 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.482 -1.678 -14.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.806 -3.056 -16.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.691 -1.796 -16.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.307 -3.370 -15.784 1.00 0.00 H new ATOM 351 N THR A 22 -1.521 -1.575 -8.158 1.00 0.00 N ATOM 352 CA THR A 22 -0.655 -2.116 -7.125 1.00 0.00 C ATOM 353 C THR A 22 -1.487 -2.733 -5.999 1.00 0.00 C ATOM 354 O THR A 22 -2.617 -2.312 -5.756 1.00 0.00 O ATOM 355 CB THR A 22 0.273 -0.996 -6.651 1.00 0.00 C ATOM 356 OG1 THR A 22 1.126 -0.756 -7.767 1.00 0.00 O ATOM 357 CG2 THR A 22 1.227 -1.454 -5.545 1.00 0.00 C ATOM 0 H THR A 22 -2.138 -0.824 -7.847 1.00 0.00 H new ATOM 0 HA THR A 22 -0.038 -2.927 -7.512 1.00 0.00 H new ATOM 0 HB THR A 22 -0.324 -0.158 -6.291 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.677 -0.157 -8.399 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.863 -0.621 -5.245 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.650 -1.798 -4.686 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.848 -2.270 -5.915 1.00 0.00 H new ATOM 365 N ILE A 23 -0.897 -3.721 -5.343 1.00 0.00 N ATOM 366 CA ILE A 23 -1.571 -4.400 -4.249 1.00 0.00 C ATOM 367 C ILE A 23 -1.133 -3.778 -2.922 1.00 0.00 C ATOM 368 O ILE A 23 -0.075 -3.155 -2.843 1.00 0.00 O ATOM 369 CB ILE A 23 -1.333 -5.910 -4.328 1.00 0.00 C ATOM 370 CG1 ILE A 23 -0.624 -6.286 -5.631 1.00 0.00 C ATOM 371 CG2 ILE A 23 -2.642 -6.681 -4.145 1.00 0.00 C ATOM 372 CD1 ILE A 23 -0.685 -7.795 -5.872 1.00 0.00 C ATOM 0 H ILE A 23 0.040 -4.068 -5.548 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.650 -4.266 -4.324 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.673 -6.195 -3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.088 -5.762 -6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.416 -5.962 -5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.445 -7.751 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.070 -6.445 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.344 -6.396 -4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.174 -8.036 -6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.199 -8.315 -5.047 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.726 -8.111 -5.937 1.00 0.00 H new ATOM 384 N THR A 24 -1.969 -3.967 -1.912 1.00 0.00 N ATOM 385 CA THR A 24 -1.682 -3.432 -0.592 1.00 0.00 C ATOM 386 C THR A 24 -1.854 -4.518 0.473 1.00 0.00 C ATOM 387 O THR A 24 -2.480 -5.546 0.221 1.00 0.00 O ATOM 388 CB THR A 24 -2.582 -2.215 -0.369 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.890 -2.768 -0.248 1.00 0.00 O ATOM 390 CG2 THR A 24 -2.669 -1.318 -1.605 1.00 0.00 C ATOM 0 H THR A 24 -2.846 -4.484 -1.981 1.00 0.00 H new ATOM 0 HA THR A 24 -0.645 -3.106 -0.515 1.00 0.00 H new ATOM 0 HB THR A 24 -2.207 -1.635 0.474 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.266 -2.916 -1.141 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.320 -0.469 -1.394 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.674 -0.957 -1.863 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.076 -1.888 -2.440 1.00 0.00 H new ATOM 398 N ILE A 25 -1.286 -4.252 1.640 1.00 0.00 N ATOM 399 CA ILE A 25 -1.368 -5.193 2.744 1.00 0.00 C ATOM 400 C ILE A 25 -2.027 -4.509 3.944 1.00 0.00 C ATOM 401 O ILE A 25 -1.778 -3.333 4.206 1.00 0.00 O ATOM 402 CB ILE A 25 0.011 -5.780 3.052 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.674 -6.317 1.782 1.00 0.00 C ATOM 404 CG2 ILE A 25 -0.079 -6.845 4.146 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.485 -5.224 1.083 1.00 0.00 C ATOM 0 H ILE A 25 -0.767 -3.398 1.845 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.997 -6.041 2.475 1.00 0.00 H new ATOM 0 HB ILE A 25 0.646 -4.980 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.326 -7.154 2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.088 -6.700 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.915 -7.246 4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.480 -6.399 5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.736 -7.650 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.946 -5.632 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.826 -4.399 0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.262 -4.861 1.756 1.00 0.00 H new ATOM 417 N ARG A 26 -2.855 -5.274 4.640 1.00 0.00 N ATOM 418 CA ARG A 26 -3.551 -4.757 5.805 1.00 0.00 C ATOM 419 C ARG A 26 -3.661 -5.839 6.882 1.00 0.00 C ATOM 420 O ARG A 26 -3.336 -6.999 6.636 1.00 0.00 O ATOM 421 CB ARG A 26 -4.954 -4.269 5.437 1.00 0.00 C ATOM 422 CG ARG A 26 -5.293 -4.619 3.987 1.00 0.00 C ATOM 423 CD ARG A 26 -4.561 -3.693 3.014 1.00 0.00 C ATOM 424 NE ARG A 26 -5.536 -2.856 2.280 1.00 0.00 N ATOM 425 CZ ARG A 26 -5.259 -1.633 1.781 1.00 0.00 C ATOM 426 NH1 ARG A 26 -4.032 -1.092 1.932 1.00 0.00 N ATOM 427 NH2 ARG A 26 -6.208 -0.973 1.142 1.00 0.00 N ATOM 0 H ARG A 26 -3.059 -6.249 4.419 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.975 -3.915 6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.687 -4.721 6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.016 -3.190 5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.019 -5.654 3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.369 -4.538 3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.862 -3.058 3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.973 -4.283 2.310 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.476 -3.227 2.143 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.304 -1.608 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.832 -0.167 1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.133 -1.389 1.032 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.016 -0.048 0.759 1.00 0.00 H new ATOM 440 N ASP A 27 -4.119 -5.419 8.052 1.00 0.00 N ATOM 441 CA ASP A 27 -4.275 -6.338 9.167 1.00 0.00 C ATOM 442 C ASP A 27 -5.749 -6.726 9.300 1.00 0.00 C ATOM 443 O ASP A 27 -6.628 -5.868 9.244 1.00 0.00 O ATOM 444 CB ASP A 27 -3.837 -5.688 10.482 1.00 0.00 C ATOM 445 CG ASP A 27 -4.126 -6.512 11.738 1.00 0.00 C ATOM 446 OD1 ASP A 27 -5.020 -7.372 11.746 1.00 0.00 O ATOM 447 OD2 ASP A 27 -3.379 -6.238 12.753 1.00 0.00 O ATOM 0 H ASP A 27 -4.387 -4.455 8.252 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.654 -7.213 8.972 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.766 -5.491 10.433 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.335 -4.723 10.576 1.00 0.00 H new ATOM 453 N GLU A 28 -5.973 -8.020 9.473 1.00 0.00 N ATOM 454 CA GLU A 28 -7.326 -8.533 9.614 1.00 0.00 C ATOM 455 C GLU A 28 -8.102 -7.707 10.642 1.00 0.00 C ATOM 456 O GLU A 28 -9.194 -7.219 10.355 1.00 0.00 O ATOM 457 CB GLU A 28 -7.314 -10.014 9.997 1.00 0.00 C ATOM 458 CG GLU A 28 -8.658 -10.437 10.592 1.00 0.00 C ATOM 459 CD GLU A 28 -9.791 -10.237 9.583 1.00 0.00 C ATOM 460 OE1 GLU A 28 -10.369 -9.143 9.508 1.00 0.00 O ATOM 461 OE2 GLU A 28 -10.065 -11.270 8.860 1.00 0.00 O ATOM 0 H GLU A 28 -5.241 -8.729 9.519 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.829 -8.445 8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.095 -10.619 9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.518 -10.200 10.718 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.614 -11.484 10.892 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.861 -9.856 11.492 1.00 0.00 H new ATOM 469 N SER A 29 -7.507 -7.575 11.818 1.00 0.00 N ATOM 470 CA SER A 29 -8.129 -6.817 12.890 1.00 0.00 C ATOM 471 C SER A 29 -8.411 -5.387 12.424 1.00 0.00 C ATOM 472 O SER A 29 -9.206 -4.676 13.037 1.00 0.00 O ATOM 473 CB SER A 29 -7.246 -6.803 14.140 1.00 0.00 C ATOM 474 OG SER A 29 -5.969 -6.225 13.885 1.00 0.00 O ATOM 0 H SER A 29 -6.601 -7.980 12.052 1.00 0.00 H new ATOM 0 HA SER A 29 -9.071 -7.301 13.149 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.746 -6.243 14.931 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.116 -7.822 14.504 1.00 0.00 H new ATOM 0 HG SER A 29 -5.436 -6.234 14.707 1.00 0.00 H new ATOM 480 N GLU A 30 -7.743 -5.008 11.345 1.00 0.00 N ATOM 481 CA GLU A 30 -7.912 -3.676 10.790 1.00 0.00 C ATOM 482 C GLU A 30 -8.191 -3.758 9.287 1.00 0.00 C ATOM 483 O GLU A 30 -7.789 -2.877 8.529 1.00 0.00 O ATOM 484 CB GLU A 30 -6.687 -2.804 11.073 1.00 0.00 C ATOM 485 CG GLU A 30 -6.770 -2.177 12.466 1.00 0.00 C ATOM 486 CD GLU A 30 -5.688 -1.112 12.654 1.00 0.00 C ATOM 487 OE1 GLU A 30 -5.560 -0.205 11.819 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.965 -1.251 13.713 1.00 0.00 O ATOM 0 H GLU A 30 -7.084 -5.600 10.840 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.769 -3.209 11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.782 -3.406 10.995 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.614 -2.019 10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.754 -1.730 12.609 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.658 -2.952 13.225 1.00 0.00 H new ATOM 496 N SER A 31 -8.876 -4.824 8.903 1.00 0.00 N ATOM 497 CA SER A 31 -9.214 -5.033 7.505 1.00 0.00 C ATOM 498 C SER A 31 -9.947 -3.808 6.955 1.00 0.00 C ATOM 499 O SER A 31 -10.013 -2.772 7.614 1.00 0.00 O ATOM 500 CB SER A 31 -10.069 -6.288 7.326 1.00 0.00 C ATOM 501 OG SER A 31 -11.399 -5.975 6.922 1.00 0.00 O ATOM 0 H SER A 31 -9.207 -5.553 9.535 1.00 0.00 H new ATOM 0 HA SER A 31 -8.288 -5.175 6.947 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.608 -6.938 6.582 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.096 -6.845 8.263 1.00 0.00 H new ATOM 0 HG SER A 31 -11.912 -6.803 6.817 1.00 0.00 H new ATOM 507 N HIS A 32 -10.480 -3.968 5.752 1.00 0.00 N ATOM 508 CA HIS A 32 -11.206 -2.888 5.106 1.00 0.00 C ATOM 509 C HIS A 32 -12.682 -3.268 4.974 1.00 0.00 C ATOM 510 O HIS A 32 -13.229 -3.957 5.835 1.00 0.00 O ATOM 511 CB HIS A 32 -10.565 -2.528 3.765 1.00 0.00 C ATOM 512 CG HIS A 32 -10.743 -3.580 2.697 1.00 0.00 C ATOM 513 ND1 HIS A 32 -10.186 -4.844 2.790 1.00 0.00 N ATOM 514 CD2 HIS A 32 -11.421 -3.544 1.514 1.00 0.00 C ATOM 515 CE1 HIS A 32 -10.520 -5.529 1.706 1.00 0.00 C ATOM 516 NE2 HIS A 32 -11.285 -4.721 0.916 1.00 0.00 N ATOM 0 H HIS A 32 -10.423 -4.829 5.208 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.151 -1.990 5.722 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.991 -1.589 3.411 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.499 -2.357 3.918 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -9.615 -5.189 3.562 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.975 -2.700 1.129 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -10.237 -6.548 1.486 1.00 0.00 H new ATOM 524 N PHE A 33 -13.286 -2.804 3.890 1.00 0.00 N ATOM 525 CA PHE A 33 -14.688 -3.088 3.634 1.00 0.00 C ATOM 526 C PHE A 33 -14.844 -4.312 2.731 1.00 0.00 C ATOM 527 O PHE A 33 -15.329 -5.354 3.169 1.00 0.00 O ATOM 528 CB PHE A 33 -15.268 -1.865 2.921 1.00 0.00 C ATOM 529 CG PHE A 33 -14.494 -0.570 3.176 1.00 0.00 C ATOM 530 CD1 PHE A 33 -14.617 0.073 4.368 1.00 0.00 C ATOM 531 CD2 PHE A 33 -13.682 -0.062 2.210 1.00 0.00 C ATOM 532 CE1 PHE A 33 -13.899 1.275 4.604 1.00 0.00 C ATOM 533 CE2 PHE A 33 -12.964 1.140 2.446 1.00 0.00 C ATOM 534 CZ PHE A 33 -13.087 1.783 3.638 1.00 0.00 C ATOM 0 H PHE A 33 -12.830 -2.233 3.178 1.00 0.00 H new ATOM 0 HA PHE A 33 -15.203 -3.295 4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -15.289 -2.059 1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -16.301 -1.727 3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -15.261 -0.331 5.135 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -13.583 -0.573 1.264 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -13.998 1.786 5.550 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -12.320 1.544 1.679 1.00 0.00 H new ATOM 0 HZ PHE A 33 -12.540 2.697 3.818 1.00 0.00 H new ATOM 544 N LYS A 34 -14.422 -4.146 1.485 1.00 0.00 N ATOM 545 CA LYS A 34 -14.509 -5.225 0.516 1.00 0.00 C ATOM 546 C LYS A 34 -13.897 -4.766 -0.809 1.00 0.00 C ATOM 547 O LYS A 34 -13.195 -3.757 -0.855 1.00 0.00 O ATOM 548 CB LYS A 34 -15.953 -5.717 0.389 1.00 0.00 C ATOM 549 CG LYS A 34 -16.814 -4.700 -0.363 1.00 0.00 C ATOM 550 CD LYS A 34 -17.940 -4.171 0.526 1.00 0.00 C ATOM 551 CE LYS A 34 -18.857 -5.306 0.984 1.00 0.00 C ATOM 552 NZ LYS A 34 -19.306 -5.081 2.376 1.00 0.00 N ATOM 0 H LYS A 34 -14.019 -3.281 1.125 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.932 -6.086 0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.971 -6.672 -0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.371 -5.890 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.192 -3.871 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.237 -5.164 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.516 -3.668 1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.521 -3.428 -0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -19.721 -5.372 0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.330 -6.257 0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.928 -5.861 2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.479 -5.041 3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.827 -4.183 2.432 1.00 0.00 H new ATOM 565 N THR A 35 -14.186 -5.528 -1.853 1.00 0.00 N ATOM 566 CA THR A 35 -13.673 -5.211 -3.175 1.00 0.00 C ATOM 567 C THR A 35 -14.716 -4.435 -3.980 1.00 0.00 C ATOM 568 O THR A 35 -15.914 -4.554 -3.728 1.00 0.00 O ATOM 569 CB THR A 35 -13.242 -6.520 -3.841 1.00 0.00 C ATOM 570 OG1 THR A 35 -12.423 -7.154 -2.862 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.299 -6.292 -5.024 1.00 0.00 C ATOM 0 H THR A 35 -14.769 -6.364 -1.811 1.00 0.00 H new ATOM 0 HA THR A 35 -12.803 -4.557 -3.115 1.00 0.00 H new ATOM 0 HB THR A 35 -14.125 -7.063 -4.179 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.101 -8.012 -3.210 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.024 -7.252 -5.460 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.799 -5.682 -5.776 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.401 -5.779 -4.680 1.00 0.00 H new ATOM 579 N GLY A 36 -14.223 -3.657 -4.933 1.00 0.00 N ATOM 580 CA GLY A 36 -15.098 -2.861 -5.777 1.00 0.00 C ATOM 581 C GLY A 36 -15.454 -1.535 -5.101 1.00 0.00 C ATOM 582 O GLY A 36 -15.960 -0.620 -5.749 1.00 0.00 O ATOM 0 H GLY A 36 -13.229 -3.561 -5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.610 -2.667 -6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.009 -3.420 -5.992 1.00 0.00 H new ATOM 586 N ASP A 37 -15.176 -1.474 -3.807 1.00 0.00 N ATOM 587 CA ASP A 37 -15.460 -0.275 -3.036 1.00 0.00 C ATOM 588 C ASP A 37 -14.361 0.759 -3.286 1.00 0.00 C ATOM 589 O ASP A 37 -13.484 0.549 -4.123 1.00 0.00 O ATOM 590 CB ASP A 37 -15.493 -0.579 -1.537 1.00 0.00 C ATOM 591 CG ASP A 37 -16.868 -0.448 -0.880 1.00 0.00 C ATOM 592 OD1 ASP A 37 -17.546 -1.452 -0.613 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.244 0.762 -0.638 1.00 0.00 O ATOM 0 H ASP A 37 -14.757 -2.235 -3.273 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.433 0.104 -3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.127 -1.594 -1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.800 0.092 -1.030 1.00 0.00 H new ATOM 599 N VAL A 38 -14.443 1.854 -2.544 1.00 0.00 N ATOM 600 CA VAL A 38 -13.466 2.921 -2.674 1.00 0.00 C ATOM 601 C VAL A 38 -12.522 2.892 -1.470 1.00 0.00 C ATOM 602 O VAL A 38 -12.951 2.636 -0.346 1.00 0.00 O ATOM 603 CB VAL A 38 -14.178 4.265 -2.842 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.605 5.313 -1.886 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.104 4.747 -4.292 1.00 0.00 C ATOM 0 H VAL A 38 -15.171 2.025 -1.851 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.859 2.776 -3.567 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.229 4.121 -2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -14.129 6.259 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.734 4.976 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.544 5.452 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.618 5.704 -4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.060 4.866 -4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.581 4.015 -4.944 1.00 0.00 H new ATOM 615 N LEU A 39 -11.253 3.157 -1.747 1.00 0.00 N ATOM 616 CA LEU A 39 -10.245 3.164 -0.701 1.00 0.00 C ATOM 617 C LEU A 39 -9.536 4.520 -0.692 1.00 0.00 C ATOM 618 O LEU A 39 -8.697 4.792 -1.549 1.00 0.00 O ATOM 619 CB LEU A 39 -9.296 1.975 -0.864 1.00 0.00 C ATOM 620 CG LEU A 39 -9.802 0.634 -0.329 1.00 0.00 C ATOM 621 CD1 LEU A 39 -9.087 -0.534 -1.010 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.679 0.571 1.195 1.00 0.00 C ATOM 0 H LEU A 39 -10.901 3.368 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.709 3.040 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.070 1.859 -1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.358 2.213 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.861 0.548 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.466 -1.475 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.269 -0.496 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.016 -0.465 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.045 -0.392 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.634 0.690 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.270 1.371 1.641 1.00 0.00 H new ATOM 634 N ARG A 40 -9.899 5.335 0.288 1.00 0.00 N ATOM 635 CA ARG A 40 -9.308 6.655 0.421 1.00 0.00 C ATOM 636 C ARG A 40 -7.787 6.547 0.540 1.00 0.00 C ATOM 637 O ARG A 40 -7.275 5.960 1.492 1.00 0.00 O ATOM 638 CB ARG A 40 -9.858 7.384 1.649 1.00 0.00 C ATOM 639 CG ARG A 40 -10.460 8.736 1.261 1.00 0.00 C ATOM 640 CD ARG A 40 -11.912 8.844 1.729 1.00 0.00 C ATOM 641 NE ARG A 40 -12.159 10.184 2.307 1.00 0.00 N ATOM 642 CZ ARG A 40 -12.527 11.264 1.584 1.00 0.00 C ATOM 643 NH1 ARG A 40 -12.693 11.170 0.248 1.00 0.00 N ATOM 644 NH2 ARG A 40 -12.720 12.413 2.204 1.00 0.00 N ATOM 0 H ARG A 40 -10.595 5.106 0.997 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.566 7.225 -0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.618 6.769 2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.059 7.533 2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.871 9.540 1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.412 8.862 0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.587 8.670 0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.122 8.074 2.472 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.044 10.299 3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.540 10.278 -0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.971 11.991 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.591 12.476 3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.998 13.238 1.673 1.00 0.00 H new ATOM 657 N VAL A 41 -7.106 7.121 -0.441 1.00 0.00 N ATOM 658 CA VAL A 41 -5.653 7.097 -0.458 1.00 0.00 C ATOM 659 C VAL A 41 -5.118 8.393 0.152 1.00 0.00 C ATOM 660 O VAL A 41 -5.701 9.460 -0.037 1.00 0.00 O ATOM 661 CB VAL A 41 -5.151 6.855 -1.883 1.00 0.00 C ATOM 662 CG1 VAL A 41 -5.300 8.115 -2.738 1.00 0.00 C ATOM 663 CG2 VAL A 41 -3.702 6.363 -1.878 1.00 0.00 C ATOM 0 H VAL A 41 -7.534 7.606 -1.230 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.278 6.273 0.149 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.768 6.074 -2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.936 7.916 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.350 8.403 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.720 8.925 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.370 6.199 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.065 7.111 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.637 5.428 -1.321 1.00 0.00 H new ATOM 673 N GLY A 42 -4.014 8.259 0.872 1.00 0.00 N ATOM 674 CA GLY A 42 -3.393 9.407 1.511 1.00 0.00 C ATOM 675 C GLY A 42 -1.868 9.299 1.471 1.00 0.00 C ATOM 676 O GLY A 42 -1.289 9.017 0.422 1.00 0.00 O ATOM 0 H GLY A 42 -3.533 7.373 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.709 10.322 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.729 9.478 2.546 1.00 0.00 H new ATOM 680 N ARG A 43 -1.259 9.529 2.625 1.00 0.00 N ATOM 681 CA ARG A 43 0.188 9.461 2.734 1.00 0.00 C ATOM 682 C ARG A 43 0.593 9.005 4.138 1.00 0.00 C ATOM 683 O ARG A 43 0.148 9.575 5.132 1.00 0.00 O ATOM 684 CB ARG A 43 0.827 10.821 2.443 1.00 0.00 C ATOM 685 CG ARG A 43 2.181 10.653 1.752 1.00 0.00 C ATOM 686 CD ARG A 43 2.446 11.803 0.779 1.00 0.00 C ATOM 687 NE ARG A 43 3.819 12.322 0.969 1.00 0.00 N ATOM 688 CZ ARG A 43 4.282 13.462 0.414 1.00 0.00 C ATOM 689 NH1 ARG A 43 3.483 14.214 -0.373 1.00 0.00 N ATOM 690 NH2 ARG A 43 5.527 13.831 0.652 1.00 0.00 N ATOM 0 H ARG A 43 -1.742 9.763 3.493 1.00 0.00 H new ATOM 0 HA ARG A 43 0.543 8.741 1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.163 11.411 1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.956 11.373 3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.973 10.615 2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.204 9.705 1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.318 11.459 -0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.721 12.601 0.941 1.00 0.00 H new ATOM 0 HE ARG A 43 4.456 11.784 1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.522 13.922 -0.552 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.840 15.074 -0.789 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.124 13.257 1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.892 14.690 0.240 1.00 0.00 H new ATOM 703 N PHE A 44 1.433 7.981 4.173 1.00 0.00 N ATOM 704 CA PHE A 44 1.904 7.442 5.437 1.00 0.00 C ATOM 705 C PHE A 44 2.845 8.425 6.136 1.00 0.00 C ATOM 706 O PHE A 44 2.915 8.457 7.364 1.00 0.00 O ATOM 707 CB PHE A 44 2.672 6.158 5.118 1.00 0.00 C ATOM 708 CG PHE A 44 2.707 5.151 6.270 1.00 0.00 C ATOM 709 CD1 PHE A 44 3.455 5.410 7.376 1.00 0.00 C ATOM 710 CD2 PHE A 44 1.991 3.998 6.188 1.00 0.00 C ATOM 711 CE1 PHE A 44 3.488 4.476 8.445 1.00 0.00 C ATOM 712 CE2 PHE A 44 2.024 3.064 7.257 1.00 0.00 C ATOM 713 CZ PHE A 44 2.772 3.323 8.363 1.00 0.00 C ATOM 0 H PHE A 44 1.800 7.510 3.346 1.00 0.00 H new ATOM 0 HA PHE A 44 1.059 7.256 6.100 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.220 5.683 4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.695 6.417 4.844 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.024 6.326 7.441 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.397 3.793 5.310 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.082 4.681 9.323 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.455 2.148 7.192 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.797 2.613 9.176 1.00 0.00 H new ATOM 723 N GLU A 45 3.546 9.202 5.324 1.00 0.00 N ATOM 724 CA GLU A 45 4.480 10.184 5.849 1.00 0.00 C ATOM 725 C GLU A 45 3.804 11.040 6.922 1.00 0.00 C ATOM 726 O GLU A 45 4.351 11.228 8.007 1.00 0.00 O ATOM 727 CB GLU A 45 5.047 11.056 4.728 1.00 0.00 C ATOM 728 CG GLU A 45 6.575 10.986 4.697 1.00 0.00 C ATOM 729 CD GLU A 45 7.194 12.238 5.322 1.00 0.00 C ATOM 730 OE1 GLU A 45 7.205 12.375 6.554 1.00 0.00 O ATOM 731 OE2 GLU A 45 7.677 13.087 4.479 1.00 0.00 O ATOM 0 H GLU A 45 3.486 9.172 4.306 1.00 0.00 H new ATOM 0 HA GLU A 45 5.314 9.653 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.645 10.728 3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.730 12.089 4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.913 10.101 5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.917 10.882 3.667 1.00 0.00 H new ATOM 739 N ASP A 46 2.624 11.536 6.580 1.00 0.00 N ATOM 740 CA ASP A 46 1.867 12.368 7.500 1.00 0.00 C ATOM 741 C ASP A 46 0.765 13.098 6.731 1.00 0.00 C ATOM 742 O ASP A 46 -0.306 13.363 7.276 1.00 0.00 O ATOM 743 CB ASP A 46 2.764 13.421 8.155 1.00 0.00 C ATOM 744 CG ASP A 46 3.831 14.022 7.239 1.00 0.00 C ATOM 745 OD1 ASP A 46 4.892 13.420 7.013 1.00 0.00 O ATOM 746 OD2 ASP A 46 3.536 15.174 6.741 1.00 0.00 O ATOM 0 H ASP A 46 2.174 11.378 5.679 1.00 0.00 H new ATOM 0 HA ASP A 46 1.446 11.722 8.271 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.136 14.227 8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.258 12.971 9.016 1.00 0.00 H new ATOM 752 N ASP A 47 1.064 13.404 5.477 1.00 0.00 N ATOM 753 CA ASP A 47 0.112 14.099 4.628 1.00 0.00 C ATOM 754 C ASP A 47 -1.291 13.544 4.883 1.00 0.00 C ATOM 755 O ASP A 47 -2.211 14.296 5.202 1.00 0.00 O ATOM 756 CB ASP A 47 0.440 13.891 3.148 1.00 0.00 C ATOM 757 CG ASP A 47 0.344 15.149 2.282 1.00 0.00 C ATOM 758 OD1 ASP A 47 1.201 15.399 1.422 1.00 0.00 O ATOM 759 OD2 ASP A 47 -0.678 15.900 2.522 1.00 0.00 O ATOM 0 H ASP A 47 1.953 13.183 5.028 1.00 0.00 H new ATOM 0 HA ASP A 47 0.163 15.162 4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.450 13.489 3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.236 13.137 2.744 1.00 0.00 H new ATOM 765 N GLY A 48 -1.412 12.233 4.734 1.00 0.00 N ATOM 766 CA GLY A 48 -2.687 11.570 4.944 1.00 0.00 C ATOM 767 C GLY A 48 -3.575 11.682 3.703 1.00 0.00 C ATOM 768 O GLY A 48 -3.075 11.730 2.580 1.00 0.00 O ATOM 0 H GLY A 48 -0.647 11.612 4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.520 10.520 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.195 12.014 5.800 1.00 0.00 H new ATOM 772 N TYR A 49 -4.876 11.720 3.947 1.00 0.00 N ATOM 773 CA TYR A 49 -5.838 11.826 2.863 1.00 0.00 C ATOM 774 C TYR A 49 -5.292 12.693 1.728 1.00 0.00 C ATOM 775 O TYR A 49 -4.717 13.753 1.973 1.00 0.00 O ATOM 776 CB TYR A 49 -7.073 12.505 3.460 1.00 0.00 C ATOM 777 CG TYR A 49 -7.988 13.155 2.420 1.00 0.00 C ATOM 778 CD1 TYR A 49 -9.008 12.424 1.846 1.00 0.00 C ATOM 779 CD2 TYR A 49 -7.794 14.472 2.057 1.00 0.00 C ATOM 780 CE1 TYR A 49 -9.870 13.036 0.868 1.00 0.00 C ATOM 781 CE2 TYR A 49 -8.655 15.084 1.079 1.00 0.00 C ATOM 782 CZ TYR A 49 -9.651 14.336 0.532 1.00 0.00 C ATOM 783 OH TYR A 49 -10.465 14.913 -0.391 1.00 0.00 O ATOM 0 H TYR A 49 -5.287 11.679 4.880 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.061 10.842 2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.645 11.767 4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.749 13.266 4.171 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.160 11.393 2.130 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.996 15.044 2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.672 12.475 0.412 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.513 16.114 0.786 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.192 15.844 -0.531 1.00 0.00 H new ATOM 793 N PHE A 50 -5.491 12.212 0.510 1.00 0.00 N ATOM 794 CA PHE A 50 -5.025 12.930 -0.664 1.00 0.00 C ATOM 795 C PHE A 50 -5.999 12.762 -1.832 1.00 0.00 C ATOM 796 O PHE A 50 -6.390 13.741 -2.465 1.00 0.00 O ATOM 797 CB PHE A 50 -3.674 12.326 -1.052 1.00 0.00 C ATOM 798 CG PHE A 50 -2.685 13.336 -1.637 1.00 0.00 C ATOM 799 CD1 PHE A 50 -1.872 14.048 -0.811 1.00 0.00 C ATOM 800 CD2 PHE A 50 -2.619 13.523 -2.982 1.00 0.00 C ATOM 801 CE1 PHE A 50 -0.954 14.986 -1.353 1.00 0.00 C ATOM 802 CE2 PHE A 50 -1.701 14.461 -3.525 1.00 0.00 C ATOM 803 CZ PHE A 50 -0.888 15.172 -2.699 1.00 0.00 C ATOM 0 H PHE A 50 -5.969 11.333 0.310 1.00 0.00 H new ATOM 0 HA PHE A 50 -4.946 13.994 -0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.228 11.865 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.839 11.531 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.925 13.900 0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.265 12.958 -3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.309 15.551 -0.697 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.649 14.609 -4.593 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.189 15.885 -3.112 1.00 0.00 H new ATOM 813 N CYS A 51 -6.363 11.512 -2.082 1.00 0.00 N ATOM 814 CA CYS A 51 -7.284 11.203 -3.163 1.00 0.00 C ATOM 815 C CYS A 51 -8.059 9.939 -2.787 1.00 0.00 C ATOM 816 O CYS A 51 -7.905 9.417 -1.684 1.00 0.00 O ATOM 817 CB CYS A 51 -6.556 11.051 -4.500 1.00 0.00 C ATOM 818 SG CYS A 51 -5.543 12.537 -4.835 1.00 0.00 S ATOM 0 H CYS A 51 -6.037 10.702 -1.555 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.982 12.029 -3.297 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.921 10.165 -4.479 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.279 10.906 -5.302 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.867 13.480 -4.001 1.00 0.00 H new ATOM 824 N THR A 52 -8.875 9.482 -3.725 1.00 0.00 N ATOM 825 CA THR A 52 -9.674 8.289 -3.506 1.00 0.00 C ATOM 826 C THR A 52 -9.383 7.246 -4.588 1.00 0.00 C ATOM 827 O THR A 52 -9.211 7.590 -5.756 1.00 0.00 O ATOM 828 CB THR A 52 -11.144 8.708 -3.447 1.00 0.00 C ATOM 829 OG1 THR A 52 -11.163 9.777 -2.504 1.00 0.00 O ATOM 830 CG2 THR A 52 -12.034 7.637 -2.813 1.00 0.00 C ATOM 0 H THR A 52 -9.000 9.917 -4.639 1.00 0.00 H new ATOM 0 HA THR A 52 -9.419 7.811 -2.560 1.00 0.00 H new ATOM 0 HB THR A 52 -11.499 8.926 -4.454 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.079 10.110 -2.406 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.067 7.985 -2.796 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.970 6.719 -3.397 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.700 7.443 -1.794 1.00 0.00 H new ATOM 838 N ILE A 53 -9.338 5.993 -4.160 1.00 0.00 N ATOM 839 CA ILE A 53 -9.071 4.898 -5.077 1.00 0.00 C ATOM 840 C ILE A 53 -10.176 3.848 -4.945 1.00 0.00 C ATOM 841 O ILE A 53 -11.018 3.936 -4.053 1.00 0.00 O ATOM 842 CB ILE A 53 -7.664 4.342 -4.852 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.599 3.517 -3.565 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.622 5.463 -4.867 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.868 2.194 -3.798 1.00 0.00 C ATOM 0 H ILE A 53 -9.482 5.712 -3.190 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.088 5.251 -6.108 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.427 3.671 -5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.088 4.087 -2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.608 3.320 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.630 5.040 -4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.647 5.970 -5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.846 6.178 -4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.836 1.627 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.395 1.616 -4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.851 2.395 -4.136 1.00 0.00 H new ATOM 857 N GLU A 54 -10.136 2.878 -5.847 1.00 0.00 N ATOM 858 CA GLU A 54 -11.123 1.812 -5.843 1.00 0.00 C ATOM 859 C GLU A 54 -10.431 0.448 -5.841 1.00 0.00 C ATOM 860 O GLU A 54 -9.466 0.236 -6.573 1.00 0.00 O ATOM 861 CB GLU A 54 -12.075 1.942 -7.034 1.00 0.00 C ATOM 862 CG GLU A 54 -13.532 1.792 -6.591 1.00 0.00 C ATOM 863 CD GLU A 54 -14.487 2.354 -7.646 1.00 0.00 C ATOM 864 OE1 GLU A 54 -15.065 3.433 -7.447 1.00 0.00 O ATOM 865 OE2 GLU A 54 -14.617 1.629 -8.705 1.00 0.00 O ATOM 0 H GLU A 54 -9.436 2.808 -6.585 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.718 1.897 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.935 2.911 -7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.838 1.182 -7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.756 0.740 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.683 2.312 -5.645 1.00 0.00 H new ATOM 873 N VAL A 55 -10.951 -0.443 -5.009 1.00 0.00 N ATOM 874 CA VAL A 55 -10.395 -1.781 -4.901 1.00 0.00 C ATOM 875 C VAL A 55 -10.676 -2.550 -6.193 1.00 0.00 C ATOM 876 O VAL A 55 -11.513 -2.140 -6.995 1.00 0.00 O ATOM 877 CB VAL A 55 -10.949 -2.479 -3.657 1.00 0.00 C ATOM 878 CG1 VAL A 55 -9.879 -3.349 -2.995 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.520 -1.463 -2.667 1.00 0.00 C ATOM 0 H VAL A 55 -11.752 -0.264 -4.403 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.313 -1.737 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.763 -3.132 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.298 -3.834 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.540 -4.108 -3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.035 -2.726 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.907 -1.985 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.734 -0.773 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.327 -0.905 -3.143 1.00 0.00 H new ATOM 889 N THR A 56 -9.959 -3.653 -6.355 1.00 0.00 N ATOM 890 CA THR A 56 -10.120 -4.484 -7.536 1.00 0.00 C ATOM 891 C THR A 56 -10.099 -5.965 -7.153 1.00 0.00 C ATOM 892 O THR A 56 -10.929 -6.743 -7.621 1.00 0.00 O ATOM 893 CB THR A 56 -9.029 -4.099 -8.537 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.439 -4.720 -9.753 1.00 0.00 O ATOM 895 CG2 THR A 56 -7.684 -4.755 -8.219 1.00 0.00 C ATOM 0 H THR A 56 -9.265 -3.990 -5.688 1.00 0.00 H new ATOM 0 HA THR A 56 -11.088 -4.317 -8.008 1.00 0.00 H new ATOM 0 HB THR A 56 -8.911 -3.015 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.788 -4.521 -10.458 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.945 -4.448 -8.960 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.354 -4.445 -7.227 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.793 -5.839 -8.243 1.00 0.00 H new ATOM 903 N ALA A 57 -9.140 -6.311 -6.306 1.00 0.00 N ATOM 904 CA ALA A 57 -9.000 -7.685 -5.855 1.00 0.00 C ATOM 905 C ALA A 57 -8.489 -7.694 -4.413 1.00 0.00 C ATOM 906 O ALA A 57 -8.076 -6.660 -3.890 1.00 0.00 O ATOM 907 CB ALA A 57 -8.072 -8.442 -6.807 1.00 0.00 C ATOM 0 H ALA A 57 -8.453 -5.663 -5.920 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.964 -8.193 -5.866 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.967 -9.473 -6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.494 -8.431 -7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.093 -7.962 -6.819 1.00 0.00 H new ATOM 913 N THR A 58 -8.534 -8.873 -3.811 1.00 0.00 N ATOM 914 CA THR A 58 -8.081 -9.030 -2.439 1.00 0.00 C ATOM 915 C THR A 58 -7.666 -10.479 -2.177 1.00 0.00 C ATOM 916 O THR A 58 -8.336 -11.411 -2.620 1.00 0.00 O ATOM 917 CB THR A 58 -9.197 -8.542 -1.514 1.00 0.00 C ATOM 918 OG1 THR A 58 -9.040 -7.125 -1.498 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.975 -8.958 -0.058 1.00 0.00 C ATOM 0 H THR A 58 -8.877 -9.729 -4.248 1.00 0.00 H new ATOM 0 HA THR A 58 -7.192 -8.430 -2.245 1.00 0.00 H new ATOM 0 HB THR A 58 -10.153 -8.933 -1.861 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.453 -6.853 -2.234 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.796 -8.586 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.936 -10.045 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.035 -8.539 0.301 1.00 0.00 H new ATOM 927 N SER A 59 -6.562 -10.624 -1.459 1.00 0.00 N ATOM 928 CA SER A 59 -6.049 -11.944 -1.133 1.00 0.00 C ATOM 929 C SER A 59 -5.140 -11.864 0.095 1.00 0.00 C ATOM 930 O SER A 59 -4.737 -10.776 0.503 1.00 0.00 O ATOM 931 CB SER A 59 -5.290 -12.547 -2.317 1.00 0.00 C ATOM 932 OG SER A 59 -5.088 -11.599 -3.361 1.00 0.00 O ATOM 0 H SER A 59 -6.008 -9.849 -1.094 1.00 0.00 H new ATOM 0 HA SER A 59 -6.895 -12.594 -0.909 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.325 -12.922 -1.976 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.844 -13.401 -2.706 1.00 0.00 H new ATOM 0 HG SER A 59 -4.599 -12.022 -4.097 1.00 0.00 H new ATOM 938 N THR A 60 -4.845 -13.030 0.650 1.00 0.00 N ATOM 939 CA THR A 60 -3.991 -13.106 1.824 1.00 0.00 C ATOM 940 C THR A 60 -2.564 -13.484 1.422 1.00 0.00 C ATOM 941 O THR A 60 -2.337 -14.552 0.857 1.00 0.00 O ATOM 942 CB THR A 60 -4.627 -14.090 2.808 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.262 -15.055 1.973 1.00 0.00 O ATOM 944 CG2 THR A 60 -5.778 -13.466 3.599 1.00 0.00 C ATOM 0 H THR A 60 -5.182 -13.930 0.309 1.00 0.00 H new ATOM 0 HA THR A 60 -3.910 -12.138 2.318 1.00 0.00 H new ATOM 0 HB THR A 60 -3.867 -14.453 3.500 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.699 -15.733 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.194 -14.207 4.282 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.408 -12.614 4.169 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.554 -13.132 2.910 1.00 0.00 H new ATOM 952 N VAL A 61 -1.640 -12.586 1.730 1.00 0.00 N ATOM 953 CA VAL A 61 -0.241 -12.812 1.408 1.00 0.00 C ATOM 954 C VAL A 61 0.632 -11.915 2.287 1.00 0.00 C ATOM 955 O VAL A 61 0.118 -11.092 3.044 1.00 0.00 O ATOM 956 CB VAL A 61 -0.006 -12.594 -0.088 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.769 -13.763 -0.698 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.329 -12.369 -0.824 1.00 0.00 C ATOM 0 H VAL A 61 -1.832 -11.701 2.199 1.00 0.00 H new ATOM 0 HA VAL A 61 0.037 -13.844 1.620 1.00 0.00 H new ATOM 0 HB VAL A 61 0.599 -11.695 -0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.922 -13.582 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.736 -13.857 -0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.202 -14.684 -0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.134 -12.217 -1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.970 -13.241 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.827 -11.489 -0.417 1.00 0.00 H new ATOM 968 N THR A 62 1.937 -12.103 2.158 1.00 0.00 N ATOM 969 CA THR A 62 2.886 -11.321 2.932 1.00 0.00 C ATOM 970 C THR A 62 3.033 -9.920 2.336 1.00 0.00 C ATOM 971 O THR A 62 2.120 -9.421 1.679 1.00 0.00 O ATOM 972 CB THR A 62 4.203 -12.098 2.990 1.00 0.00 C ATOM 973 OG1 THR A 62 3.872 -13.381 2.466 1.00 0.00 O ATOM 974 CG2 THR A 62 4.650 -12.386 4.425 1.00 0.00 C ATOM 0 H THR A 62 2.360 -12.786 1.529 1.00 0.00 H new ATOM 0 HA THR A 62 2.535 -11.171 3.953 1.00 0.00 H new ATOM 0 HB THR A 62 4.980 -11.534 2.474 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.546 -14.034 2.749 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.589 -12.939 4.409 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.791 -11.446 4.958 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.888 -12.979 4.931 1.00 0.00 H new ATOM 982 N LEU A 63 4.190 -9.323 2.586 1.00 0.00 N ATOM 983 CA LEU A 63 4.468 -7.989 2.083 1.00 0.00 C ATOM 984 C LEU A 63 5.293 -8.096 0.798 1.00 0.00 C ATOM 985 O LEU A 63 4.817 -7.745 -0.280 1.00 0.00 O ATOM 986 CB LEU A 63 5.126 -7.134 3.167 1.00 0.00 C ATOM 987 CG LEU A 63 6.352 -7.744 3.851 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.634 -7.029 3.419 1.00 0.00 C ATOM 989 CD2 LEU A 63 6.184 -7.750 5.372 1.00 0.00 C ATOM 0 H LEU A 63 4.945 -9.739 3.130 1.00 0.00 H new ATOM 0 HA LEU A 63 3.541 -7.477 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.418 -6.182 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.380 -6.914 3.931 1.00 0.00 H new ATOM 0 HG LEU A 63 6.440 -8.783 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.490 -7.482 3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.755 -7.120 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.572 -5.975 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.069 -8.188 5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.058 -6.728 5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.306 -8.338 5.639 1.00 0.00 H new ATOM 1001 N ASP A 64 6.516 -8.581 0.957 1.00 0.00 N ATOM 1002 CA ASP A 64 7.412 -8.737 -0.177 1.00 0.00 C ATOM 1003 C ASP A 64 6.799 -9.724 -1.172 1.00 0.00 C ATOM 1004 O ASP A 64 7.323 -9.911 -2.269 1.00 0.00 O ATOM 1005 CB ASP A 64 8.767 -9.292 0.265 1.00 0.00 C ATOM 1006 CG ASP A 64 9.982 -8.625 -0.384 1.00 0.00 C ATOM 1007 OD1 ASP A 64 9.851 -7.626 -1.106 1.00 0.00 O ATOM 1008 OD2 ASP A 64 11.115 -9.180 -0.118 1.00 0.00 O ATOM 0 H ASP A 64 6.907 -8.871 1.853 1.00 0.00 H new ATOM 0 HA ASP A 64 7.555 -7.757 -0.632 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.850 -9.189 1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.796 -10.359 0.043 1.00 0.00 H new ATOM 1014 N THR A 65 5.697 -10.330 -0.755 1.00 0.00 N ATOM 1015 CA THR A 65 5.007 -11.293 -1.596 1.00 0.00 C ATOM 1016 C THR A 65 4.209 -10.574 -2.685 1.00 0.00 C ATOM 1017 O THR A 65 3.591 -11.216 -3.533 1.00 0.00 O ATOM 1018 CB THR A 65 4.144 -12.177 -0.694 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.700 -11.295 0.334 1.00 0.00 O ATOM 1020 CG2 THR A 65 4.965 -13.233 0.050 1.00 0.00 C ATOM 0 H THR A 65 5.265 -10.172 0.155 1.00 0.00 H new ATOM 0 HA THR A 65 5.713 -11.934 -2.124 1.00 0.00 H new ATOM 0 HB THR A 65 3.378 -12.669 -1.294 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.187 -10.561 -0.064 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.304 -13.833 0.676 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.467 -13.878 -0.671 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.709 -12.741 0.676 1.00 0.00 H new ATOM 1028 N LEU A 66 4.248 -9.251 -2.627 1.00 0.00 N ATOM 1029 CA LEU A 66 3.536 -8.437 -3.597 1.00 0.00 C ATOM 1030 C LEU A 66 3.905 -6.967 -3.393 1.00 0.00 C ATOM 1031 O LEU A 66 4.136 -6.241 -4.359 1.00 0.00 O ATOM 1032 CB LEU A 66 2.032 -8.710 -3.524 1.00 0.00 C ATOM 1033 CG LEU A 66 1.445 -8.860 -2.119 1.00 0.00 C ATOM 1034 CD1 LEU A 66 0.968 -7.512 -1.576 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.334 -9.912 -2.099 1.00 0.00 C ATOM 0 H LEU A 66 4.762 -8.722 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 66 3.836 -8.703 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.510 -7.897 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.821 -9.621 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 66 2.235 -9.212 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.555 -7.648 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.809 -6.820 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.199 -7.106 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.066 -9.999 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.462 -9.613 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.738 -10.874 -2.413 1.00 0.00 H new ATOM 1047 N THR A 67 3.949 -6.571 -2.130 1.00 0.00 N ATOM 1048 CA THR A 67 4.287 -5.200 -1.786 1.00 0.00 C ATOM 1049 C THR A 67 5.446 -4.703 -2.653 1.00 0.00 C ATOM 1050 O THR A 67 6.258 -5.497 -3.125 1.00 0.00 O ATOM 1051 CB THR A 67 4.584 -5.147 -0.286 1.00 0.00 C ATOM 1052 OG1 THR A 67 4.249 -3.813 0.087 1.00 0.00 O ATOM 1053 CG2 THR A 67 6.079 -5.256 0.019 1.00 0.00 C ATOM 0 H THR A 67 3.756 -7.176 -1.332 1.00 0.00 H new ATOM 0 HA THR A 67 3.456 -4.525 -1.991 1.00 0.00 H new ATOM 0 HB THR A 67 4.052 -5.953 0.218 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.988 -3.420 0.597 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.234 -5.213 1.097 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.461 -6.202 -0.365 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.609 -4.431 -0.457 1.00 0.00 H new ATOM 1061 N GLU A 68 5.486 -3.391 -2.836 1.00 0.00 N ATOM 1062 CA GLU A 68 6.532 -2.779 -3.637 1.00 0.00 C ATOM 1063 C GLU A 68 7.907 -3.270 -3.180 1.00 0.00 C ATOM 1064 O GLU A 68 8.871 -3.227 -3.943 1.00 0.00 O ATOM 1065 CB GLU A 68 6.447 -1.253 -3.576 1.00 0.00 C ATOM 1066 CG GLU A 68 5.658 -0.700 -4.765 1.00 0.00 C ATOM 1067 CD GLU A 68 6.559 0.132 -5.681 1.00 0.00 C ATOM 1068 OE1 GLU A 68 6.410 1.361 -5.746 1.00 0.00 O ATOM 1069 OE2 GLU A 68 7.439 -0.543 -6.340 1.00 0.00 O ATOM 0 H GLU A 68 4.811 -2.735 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 68 6.388 -3.077 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.969 -0.949 -2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.451 -0.829 -3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.220 -1.523 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.833 -0.086 -4.405 1.00 0.00 H new ATOM 1077 N LYS A 69 7.954 -3.726 -1.936 1.00 0.00 N ATOM 1078 CA LYS A 69 9.195 -4.224 -1.368 1.00 0.00 C ATOM 1079 C LYS A 69 9.839 -5.208 -2.346 1.00 0.00 C ATOM 1080 O LYS A 69 11.063 -5.311 -2.413 1.00 0.00 O ATOM 1081 CB LYS A 69 8.949 -4.812 0.023 1.00 0.00 C ATOM 1082 CG LYS A 69 10.271 -5.101 0.737 1.00 0.00 C ATOM 1083 CD LYS A 69 10.098 -6.200 1.787 1.00 0.00 C ATOM 1084 CE LYS A 69 11.455 -6.685 2.302 1.00 0.00 C ATOM 1085 NZ LYS A 69 11.286 -7.872 3.170 1.00 0.00 N ATOM 0 H LYS A 69 7.152 -3.761 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 69 9.903 -3.408 -1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.356 -4.116 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.370 -5.731 -0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.023 -5.404 0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.637 -4.192 1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.503 -5.823 2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.549 -7.037 1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.103 -6.932 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.946 -5.887 2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.216 -8.188 3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.685 -7.625 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.838 -8.638 2.628 1.00 0.00 H new ATOM 1098 N HIS A 70 8.986 -5.907 -3.081 1.00 0.00 N ATOM 1099 CA HIS A 70 9.457 -6.880 -4.053 1.00 0.00 C ATOM 1100 C HIS A 70 10.137 -6.155 -5.216 1.00 0.00 C ATOM 1101 O HIS A 70 11.293 -6.430 -5.534 1.00 0.00 O ATOM 1102 CB HIS A 70 8.315 -7.790 -4.507 1.00 0.00 C ATOM 1103 CG HIS A 70 8.532 -8.416 -5.864 1.00 0.00 C ATOM 1104 ND1 HIS A 70 7.610 -8.314 -6.892 1.00 0.00 N ATOM 1105 CD2 HIS A 70 9.572 -9.151 -6.352 1.00 0.00 C ATOM 1106 CE1 HIS A 70 8.086 -8.962 -7.946 1.00 0.00 C ATOM 1107 NE2 HIS A 70 9.301 -9.481 -7.608 1.00 0.00 N ATOM 0 H HIS A 70 7.971 -5.819 -3.023 1.00 0.00 H new ATOM 0 HA HIS A 70 10.200 -7.530 -3.592 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.180 -8.582 -3.770 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.390 -7.213 -4.528 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.465 -9.419 -5.808 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.597 -9.061 -8.904 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.902 -10.032 -8.220 1.00 0.00 H new ATOM 1115 N ALA A 71 9.389 -5.243 -5.820 1.00 0.00 N ATOM 1116 CA ALA A 71 9.905 -4.476 -6.942 1.00 0.00 C ATOM 1117 C ALA A 71 11.185 -3.755 -6.516 1.00 0.00 C ATOM 1118 O ALA A 71 12.114 -3.611 -7.310 1.00 0.00 O ATOM 1119 CB ALA A 71 8.828 -3.508 -7.437 1.00 0.00 C ATOM 0 H ALA A 71 8.430 -5.018 -5.554 1.00 0.00 H new ATOM 0 HA ALA A 71 10.159 -5.135 -7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.215 -2.933 -8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.951 -4.071 -7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.550 -2.829 -6.631 1.00 0.00 H new ATOM 1125 N GLU A 72 11.194 -3.322 -5.264 1.00 0.00 N ATOM 1126 CA GLU A 72 12.345 -2.620 -4.723 1.00 0.00 C ATOM 1127 C GLU A 72 13.509 -3.591 -4.513 1.00 0.00 C ATOM 1128 O GLU A 72 14.648 -3.285 -4.861 1.00 0.00 O ATOM 1129 CB GLU A 72 11.988 -1.903 -3.419 1.00 0.00 C ATOM 1130 CG GLU A 72 12.524 -0.470 -3.417 1.00 0.00 C ATOM 1131 CD GLU A 72 11.543 0.481 -2.727 1.00 0.00 C ATOM 1132 OE1 GLU A 72 10.400 0.093 -2.443 1.00 0.00 O ATOM 1133 OE2 GLU A 72 12.006 1.660 -2.486 1.00 0.00 O ATOM 0 H GLU A 72 10.422 -3.444 -4.608 1.00 0.00 H new ATOM 0 HA GLU A 72 12.654 -1.862 -5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.906 -1.890 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.402 -2.451 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.487 -0.439 -2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.696 -0.141 -4.442 1.00 0.00 H new ATOM 1141 N GLN A 73 13.182 -4.742 -3.944 1.00 0.00 N ATOM 1142 CA GLN A 73 14.186 -5.760 -3.684 1.00 0.00 C ATOM 1143 C GLN A 73 15.005 -6.033 -4.947 1.00 0.00 C ATOM 1144 O GLN A 73 16.199 -6.319 -4.867 1.00 0.00 O ATOM 1145 CB GLN A 73 13.541 -7.045 -3.160 1.00 0.00 C ATOM 1146 CG GLN A 73 14.283 -7.569 -1.929 1.00 0.00 C ATOM 1147 CD GLN A 73 14.885 -8.949 -2.198 1.00 0.00 C ATOM 1148 OE1 GLN A 73 14.194 -9.952 -2.277 1.00 0.00 O ATOM 1149 NE2 GLN A 73 16.208 -8.946 -2.333 1.00 0.00 N ATOM 0 H GLN A 73 12.236 -4.992 -3.656 1.00 0.00 H new ATOM 0 HA GLN A 73 14.859 -5.389 -2.911 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.498 -6.855 -2.907 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.546 -7.804 -3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 73 15.073 -6.871 -1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.597 -7.626 -1.084 1.00 0.00 H new ATOM 0 HE21 GLN A 73 16.727 -8.071 -2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 73 16.704 -9.819 -2.514 1.00 0.00 H new ATOM 1158 N GLU A 74 14.331 -5.935 -6.083 1.00 0.00 N ATOM 1159 CA GLU A 74 14.982 -6.167 -7.361 1.00 0.00 C ATOM 1160 C GLU A 74 15.318 -4.836 -8.036 1.00 0.00 C ATOM 1161 O GLU A 74 15.352 -4.749 -9.262 1.00 0.00 O ATOM 1162 CB GLU A 74 14.112 -7.038 -8.270 1.00 0.00 C ATOM 1163 CG GLU A 74 14.722 -8.430 -8.444 1.00 0.00 C ATOM 1164 CD GLU A 74 14.514 -8.945 -9.870 1.00 0.00 C ATOM 1165 OE1 GLU A 74 13.490 -8.635 -10.498 1.00 0.00 O ATOM 1166 OE2 GLU A 74 15.462 -9.692 -10.324 1.00 0.00 O ATOM 0 H GLU A 74 13.341 -5.698 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 74 15.913 -6.705 -7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.112 -7.126 -7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.005 -6.560 -9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.788 -8.395 -8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.268 -9.121 -7.734 1.00 0.00 H new ATOM 1174 N ASN A 75 15.559 -3.832 -7.205 1.00 0.00 N ATOM 1175 CA ASN A 75 15.891 -2.509 -7.706 1.00 0.00 C ATOM 1176 C ASN A 75 16.786 -1.795 -6.692 1.00 0.00 C ATOM 1177 O ASN A 75 17.915 -1.423 -7.008 1.00 0.00 O ATOM 1178 CB ASN A 75 14.632 -1.663 -7.905 1.00 0.00 C ATOM 1179 CG ASN A 75 14.703 -0.873 -9.213 1.00 0.00 C ATOM 1180 OD1 ASN A 75 15.766 -0.538 -9.709 1.00 0.00 O ATOM 1181 ND2 ASN A 75 13.515 -0.595 -9.742 1.00 0.00 N ATOM 0 H ASN A 75 15.531 -3.908 -6.188 1.00 0.00 H new ATOM 0 HA ASN A 75 16.399 -2.628 -8.663 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.754 -2.308 -7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.515 -0.976 -7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.456 -0.071 -10.615 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.663 -0.906 -9.275 1.00 0.00 H new ATOM 1188 N MET A 76 16.248 -1.624 -5.493 1.00 0.00 N ATOM 1189 CA MET A 76 16.984 -0.960 -4.430 1.00 0.00 C ATOM 1190 C MET A 76 17.789 -1.969 -3.608 1.00 0.00 C ATOM 1191 O MET A 76 17.727 -3.171 -3.861 1.00 0.00 O ATOM 1192 CB MET A 76 16.005 -0.221 -3.516 1.00 0.00 C ATOM 1193 CG MET A 76 15.101 0.713 -4.322 1.00 0.00 C ATOM 1194 SD MET A 76 16.080 1.978 -5.113 1.00 0.00 S ATOM 1195 CE MET A 76 14.964 2.464 -6.418 1.00 0.00 C ATOM 0 H MET A 76 15.311 -1.934 -5.234 1.00 0.00 H new ATOM 0 HA MET A 76 17.678 -0.251 -4.881 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.396 -0.942 -2.971 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.558 0.354 -2.774 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.553 0.144 -5.072 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.361 1.171 -3.666 1.00 0.00 H new ATOM 0 HE1 MET A 76 15.423 3.253 -7.014 1.00 0.00 H new ATOM 0 HE2 MET A 76 14.753 1.605 -7.055 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.034 2.831 -5.984 1.00 0.00 H new ATOM 1205 N THR A 77 18.525 -1.442 -2.641 1.00 0.00 N ATOM 1206 CA THR A 77 19.341 -2.281 -1.780 1.00 0.00 C ATOM 1207 C THR A 77 18.543 -2.720 -0.551 1.00 0.00 C ATOM 1208 O THR A 77 17.324 -2.558 -0.507 1.00 0.00 O ATOM 1209 CB THR A 77 20.614 -1.506 -1.433 1.00 0.00 C ATOM 1210 OG1 THR A 77 21.343 -2.395 -0.591 1.00 0.00 O ATOM 1211 CG2 THR A 77 20.337 -0.293 -0.542 1.00 0.00 C ATOM 0 H THR A 77 18.573 -0.444 -2.435 1.00 0.00 H new ATOM 0 HA THR A 77 19.631 -3.202 -2.286 1.00 0.00 H new ATOM 0 HB THR A 77 21.101 -1.178 -2.352 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.471 -1.981 0.288 1.00 0.00 H new ATOM 0 HG21 THR A 77 21.274 0.221 -0.326 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.659 0.389 -1.056 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.881 -0.624 0.391 1.00 0.00 H new ATOM 1219 N LEU A 78 19.262 -3.267 0.418 1.00 0.00 N ATOM 1220 CA LEU A 78 18.636 -3.731 1.645 1.00 0.00 C ATOM 1221 C LEU A 78 18.207 -2.523 2.481 1.00 0.00 C ATOM 1222 O LEU A 78 17.136 -2.532 3.086 1.00 0.00 O ATOM 1223 CB LEU A 78 19.562 -4.695 2.388 1.00 0.00 C ATOM 1224 CG LEU A 78 19.278 -6.185 2.189 1.00 0.00 C ATOM 1225 CD1 LEU A 78 20.568 -6.956 1.902 1.00 0.00 C ATOM 1226 CD2 LEU A 78 18.519 -6.763 3.386 1.00 0.00 C ATOM 0 H LEU A 78 20.273 -3.399 0.379 1.00 0.00 H new ATOM 0 HA LEU A 78 17.735 -4.301 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 78 20.587 -4.496 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 78 19.505 -4.474 3.454 1.00 0.00 H new ATOM 0 HG LEU A 78 18.636 -6.296 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 78 20.338 -8.012 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 78 21.032 -6.565 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 78 21.255 -6.841 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 78 18.330 -7.823 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 78 19.116 -6.639 4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 78 17.570 -6.239 3.503 1.00 0.00 H new ATOM 1238 N THR A 79 19.065 -1.514 2.488 1.00 0.00 N ATOM 1239 CA THR A 79 18.788 -0.301 3.240 1.00 0.00 C ATOM 1240 C THR A 79 17.444 0.294 2.815 1.00 0.00 C ATOM 1241 O THR A 79 16.567 0.514 3.649 1.00 0.00 O ATOM 1242 CB THR A 79 19.965 0.655 3.044 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.962 0.167 3.938 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.665 2.066 3.556 1.00 0.00 C ATOM 0 H THR A 79 19.952 -1.511 1.985 1.00 0.00 H new ATOM 0 HA THR A 79 18.693 -0.509 4.306 1.00 0.00 H new ATOM 0 HB THR A 79 20.223 0.700 1.986 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.762 0.729 3.874 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.533 2.705 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.809 2.474 3.019 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.439 2.026 4.622 1.00 0.00 H new ATOM 1252 N GLU A 80 17.325 0.539 1.518 1.00 0.00 N ATOM 1253 CA GLU A 80 16.103 1.105 0.973 1.00 0.00 C ATOM 1254 C GLU A 80 14.902 0.231 1.341 1.00 0.00 C ATOM 1255 O GLU A 80 13.855 0.742 1.734 1.00 0.00 O ATOM 1256 CB GLU A 80 16.209 1.280 -0.543 1.00 0.00 C ATOM 1257 CG GLU A 80 16.336 2.758 -0.917 1.00 0.00 C ATOM 1258 CD GLU A 80 16.846 2.919 -2.351 1.00 0.00 C ATOM 1259 OE1 GLU A 80 17.755 2.189 -2.771 1.00 0.00 O ATOM 1260 OE2 GLU A 80 16.261 3.843 -3.036 1.00 0.00 O ATOM 0 H GLU A 80 18.055 0.356 0.829 1.00 0.00 H new ATOM 0 HA GLU A 80 15.956 2.092 1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.074 0.731 -0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.329 0.854 -1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.367 3.247 -0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.018 3.254 -0.227 1.00 0.00 H new ATOM 1268 N LEU A 81 15.095 -1.073 1.201 1.00 0.00 N ATOM 1269 CA LEU A 81 14.041 -2.023 1.514 1.00 0.00 C ATOM 1270 C LEU A 81 13.645 -1.872 2.985 1.00 0.00 C ATOM 1271 O LEU A 81 12.477 -2.032 3.336 1.00 0.00 O ATOM 1272 CB LEU A 81 14.469 -3.442 1.135 1.00 0.00 C ATOM 1273 CG LEU A 81 14.384 -3.794 -0.351 1.00 0.00 C ATOM 1274 CD1 LEU A 81 13.152 -4.652 -0.642 1.00 0.00 C ATOM 1275 CD2 LEU A 81 14.421 -2.532 -1.216 1.00 0.00 C ATOM 0 H LEU A 81 15.965 -1.493 0.875 1.00 0.00 H new ATOM 0 HA LEU A 81 13.151 -1.814 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.497 -3.590 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.851 -4.147 1.691 1.00 0.00 H new ATOM 0 HG LEU A 81 15.259 -4.389 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.116 -4.888 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.208 -5.576 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.253 -4.104 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.359 -2.810 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.578 -1.891 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 81 15.353 -1.995 -1.037 1.00 0.00 H new ATOM 1287 N LYS A 82 14.640 -1.566 3.804 1.00 0.00 N ATOM 1288 CA LYS A 82 14.410 -1.392 5.228 1.00 0.00 C ATOM 1289 C LYS A 82 13.664 -0.077 5.463 1.00 0.00 C ATOM 1290 O LYS A 82 12.890 0.041 6.412 1.00 0.00 O ATOM 1291 CB LYS A 82 15.726 -1.499 6.001 1.00 0.00 C ATOM 1292 CG LYS A 82 15.540 -2.293 7.295 1.00 0.00 C ATOM 1293 CD LYS A 82 16.512 -3.473 7.359 1.00 0.00 C ATOM 1294 CE LYS A 82 16.937 -3.756 8.801 1.00 0.00 C ATOM 1295 NZ LYS A 82 17.700 -5.021 8.878 1.00 0.00 N ATOM 0 H LYS A 82 15.607 -1.434 3.509 1.00 0.00 H new ATOM 0 HA LYS A 82 13.776 -2.192 5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.479 -1.983 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.098 -0.501 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.699 -1.640 8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.515 -2.658 7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.041 -4.360 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.392 -3.257 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.547 -2.933 9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.056 -3.816 9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.981 -5.198 9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.106 -5.806 8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.550 -4.950 8.283 1.00 0.00 H new ATOM 1308 N LYS A 83 13.921 0.878 4.582 1.00 0.00 N ATOM 1309 CA LYS A 83 13.284 2.180 4.681 1.00 0.00 C ATOM 1310 C LYS A 83 11.787 2.032 4.402 1.00 0.00 C ATOM 1311 O LYS A 83 10.957 2.466 5.200 1.00 0.00 O ATOM 1312 CB LYS A 83 13.983 3.190 3.769 1.00 0.00 C ATOM 1313 CG LYS A 83 14.280 4.491 4.517 1.00 0.00 C ATOM 1314 CD LYS A 83 13.838 5.706 3.699 1.00 0.00 C ATOM 1315 CE LYS A 83 14.275 7.009 4.373 1.00 0.00 C ATOM 1316 NZ LYS A 83 13.151 7.971 4.417 1.00 0.00 N ATOM 0 H LYS A 83 14.562 0.776 3.795 1.00 0.00 H new ATOM 0 HA LYS A 83 13.383 2.577 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.912 2.763 3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.355 3.399 2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.765 4.488 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.347 4.558 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.265 5.649 2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.754 5.697 3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.625 6.803 5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.113 7.444 3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.464 8.850 4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.835 8.181 3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.363 7.559 4.956 1.00 0.00 H new ATOM 1329 N VAL A 84 11.487 1.419 3.266 1.00 0.00 N ATOM 1330 CA VAL A 84 10.104 1.209 2.872 1.00 0.00 C ATOM 1331 C VAL A 84 9.398 0.365 3.935 1.00 0.00 C ATOM 1332 O VAL A 84 8.252 0.638 4.288 1.00 0.00 O ATOM 1333 CB VAL A 84 10.047 0.583 1.477 1.00 0.00 C ATOM 1334 CG1 VAL A 84 10.871 1.397 0.477 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.510 -0.875 1.510 1.00 0.00 C ATOM 0 H VAL A 84 12.178 1.061 2.606 1.00 0.00 H new ATOM 0 HA VAL A 84 9.576 2.161 2.809 1.00 0.00 H new ATOM 0 HB VAL A 84 9.009 0.597 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.814 0.931 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.477 2.412 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.911 1.429 0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.460 -1.296 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.537 -0.923 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.864 -1.447 2.176 1.00 0.00 H new ATOM 1345 N ILE A 85 10.111 -0.643 4.414 1.00 0.00 N ATOM 1346 CA ILE A 85 9.567 -1.528 5.430 1.00 0.00 C ATOM 1347 C ILE A 85 9.220 -0.714 6.678 1.00 0.00 C ATOM 1348 O ILE A 85 8.190 -0.947 7.309 1.00 0.00 O ATOM 1349 CB ILE A 85 10.527 -2.689 5.699 1.00 0.00 C ATOM 1350 CG1 ILE A 85 10.502 -3.699 4.551 1.00 0.00 C ATOM 1351 CG2 ILE A 85 10.227 -3.346 7.048 1.00 0.00 C ATOM 1352 CD1 ILE A 85 9.281 -4.616 4.653 1.00 0.00 C ATOM 0 H ILE A 85 11.061 -0.867 4.118 1.00 0.00 H new ATOM 0 HA ILE A 85 8.641 -1.985 5.081 1.00 0.00 H new ATOM 0 HB ILE A 85 11.540 -2.290 5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.486 -3.171 3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.413 -4.297 4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.923 -4.168 7.215 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.337 -2.610 7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.207 -3.729 7.047 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.288 -5.324 3.825 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.313 -5.161 5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.371 -4.017 4.611 1.00 0.00 H new ATOM 1364 N ALA A 86 10.100 0.224 6.996 1.00 0.00 N ATOM 1365 CA ALA A 86 9.900 1.074 8.157 1.00 0.00 C ATOM 1366 C ALA A 86 8.777 2.072 7.866 1.00 0.00 C ATOM 1367 O ALA A 86 8.138 2.579 8.787 1.00 0.00 O ATOM 1368 CB ALA A 86 11.216 1.767 8.516 1.00 0.00 C ATOM 0 H ALA A 86 10.953 0.414 6.470 1.00 0.00 H new ATOM 0 HA ALA A 86 9.598 0.480 9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.066 2.405 9.387 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.973 1.016 8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.548 2.375 7.675 1.00 0.00 H new ATOM 1374 N ASP A 87 8.570 2.324 6.582 1.00 0.00 N ATOM 1375 CA ASP A 87 7.536 3.252 6.158 1.00 0.00 C ATOM 1376 C ASP A 87 6.193 2.521 6.103 1.00 0.00 C ATOM 1377 O ASP A 87 5.142 3.130 6.294 1.00 0.00 O ATOM 1378 CB ASP A 87 7.830 3.806 4.763 1.00 0.00 C ATOM 1379 CG ASP A 87 7.831 5.332 4.661 1.00 0.00 C ATOM 1380 OD1 ASP A 87 6.787 5.957 4.418 1.00 0.00 O ATOM 1381 OD2 ASP A 87 8.980 5.891 4.843 1.00 0.00 O ATOM 0 H ASP A 87 9.101 1.901 5.821 1.00 0.00 H new ATOM 0 HA ASP A 87 7.507 4.074 6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.802 3.434 4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.089 3.411 4.068 1.00 0.00 H new ATOM 1387 N ILE A 88 6.271 1.225 5.839 1.00 0.00 N ATOM 1388 CA ILE A 88 5.075 0.404 5.756 1.00 0.00 C ATOM 1389 C ILE A 88 4.664 -0.035 7.163 1.00 0.00 C ATOM 1390 O ILE A 88 3.548 0.240 7.601 1.00 0.00 O ATOM 1391 CB ILE A 88 5.290 -0.760 4.787 1.00 0.00 C ATOM 1392 CG1 ILE A 88 4.019 -1.048 3.985 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.797 -2.001 5.524 1.00 0.00 C ATOM 1394 CD1 ILE A 88 4.349 -1.760 2.671 1.00 0.00 C ATOM 0 H ILE A 88 7.144 0.723 5.680 1.00 0.00 H new ATOM 0 HA ILE A 88 4.245 0.980 5.346 1.00 0.00 H new ATOM 0 HB ILE A 88 6.062 -0.472 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.343 -1.665 4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.497 -0.114 3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.941 -2.813 4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.745 -1.773 6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.066 -2.302 6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.428 -1.953 2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.005 -1.130 2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.849 -2.705 2.885 1.00 0.00 H new ATOM 1406 N TYR A 89 5.588 -0.710 7.831 1.00 0.00 N ATOM 1407 CA TYR A 89 5.336 -1.190 9.179 1.00 0.00 C ATOM 1408 C TYR A 89 6.328 -2.288 9.565 1.00 0.00 C ATOM 1409 O TYR A 89 6.711 -3.106 8.729 1.00 0.00 O ATOM 1410 CB TYR A 89 3.924 -1.779 9.159 1.00 0.00 C ATOM 1411 CG TYR A 89 3.693 -2.805 8.049 1.00 0.00 C ATOM 1412 CD1 TYR A 89 4.282 -4.051 8.127 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.895 -2.486 6.969 1.00 0.00 C ATOM 1414 CE1 TYR A 89 4.065 -5.017 7.081 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.678 -3.452 5.923 1.00 0.00 C ATOM 1416 CZ TYR A 89 3.273 -4.670 6.031 1.00 0.00 C ATOM 1417 OH TYR A 89 3.068 -5.582 5.044 1.00 0.00 O ATOM 0 H TYR A 89 6.512 -0.936 7.464 1.00 0.00 H new ATOM 0 HA TYR A 89 5.442 -0.380 9.901 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.724 -2.250 10.122 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.205 -0.968 9.045 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.906 -4.301 8.972 1.00 0.00 H new ATOM 0 HD2 TYR A 89 2.433 -1.512 6.908 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.521 -5.995 7.129 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.057 -3.214 5.072 1.00 0.00 H new ATOM 0 HH TYR A 89 2.680 -6.396 5.427 1.00 0.00 H new ATOM 1427 N PRO A 90 6.727 -2.272 10.865 1.00 0.00 N ATOM 1428 CA PRO A 90 7.668 -3.256 11.371 1.00 0.00 C ATOM 1429 C PRO A 90 6.991 -4.615 11.561 1.00 0.00 C ATOM 1430 O PRO A 90 5.801 -4.683 11.867 1.00 0.00 O ATOM 1431 CB PRO A 90 8.192 -2.668 12.671 1.00 0.00 C ATOM 1432 CG PRO A 90 7.189 -1.601 13.080 1.00 0.00 C ATOM 1433 CD PRO A 90 6.295 -1.319 11.883 1.00 0.00 C ATOM 0 HA PRO A 90 8.487 -3.449 10.678 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.280 -3.436 13.439 1.00 0.00 H new ATOM 0 HB3 PRO A 90 9.185 -2.239 12.534 1.00 0.00 H new ATOM 0 HG2 PRO A 90 6.595 -1.940 13.929 1.00 0.00 H new ATOM 0 HG3 PRO A 90 7.704 -0.693 13.394 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.243 -1.457 12.133 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.409 -0.292 11.537 1.00 0.00 H new ATOM 1441 N GLY A 91 7.778 -5.664 11.370 1.00 0.00 N ATOM 1442 CA GLY A 91 7.269 -7.017 11.516 1.00 0.00 C ATOM 1443 C GLY A 91 7.153 -7.709 10.156 1.00 0.00 C ATOM 1444 O GLY A 91 6.506 -7.192 9.246 1.00 0.00 O ATOM 0 H GLY A 91 8.764 -5.604 11.116 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.931 -7.591 12.165 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.293 -6.992 12.000 1.00 0.00 H new ATOM 1448 N GLN A 92 7.789 -8.867 10.060 1.00 0.00 N ATOM 1449 CA GLN A 92 7.765 -9.635 8.827 1.00 0.00 C ATOM 1450 C GLN A 92 6.798 -10.813 8.954 1.00 0.00 C ATOM 1451 O GLN A 92 7.224 -11.964 9.044 1.00 0.00 O ATOM 1452 CB GLN A 92 9.168 -10.115 8.453 1.00 0.00 C ATOM 1453 CG GLN A 92 9.463 -9.848 6.975 1.00 0.00 C ATOM 1454 CD GLN A 92 9.415 -11.145 6.164 1.00 0.00 C ATOM 1455 OE1 GLN A 92 10.407 -11.832 5.984 1.00 0.00 O ATOM 1456 NE2 GLN A 92 8.209 -11.439 5.686 1.00 0.00 N ATOM 0 H GLN A 92 8.325 -9.292 10.817 1.00 0.00 H new ATOM 0 HA GLN A 92 7.413 -8.986 8.025 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.907 -9.607 9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.258 -11.182 8.659 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.737 -9.139 6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.446 -9.388 6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.421 -10.820 5.874 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.072 -12.284 5.131 1.00 0.00 H new ATOM 1465 N THR A 93 5.514 -10.486 8.957 1.00 0.00 N ATOM 1466 CA THR A 93 4.483 -11.504 9.072 1.00 0.00 C ATOM 1467 C THR A 93 3.462 -11.357 7.941 1.00 0.00 C ATOM 1468 O THR A 93 3.251 -10.260 7.428 1.00 0.00 O ATOM 1469 CB THR A 93 3.864 -11.395 10.467 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.050 -10.228 10.396 1.00 0.00 O ATOM 1471 CG2 THR A 93 4.900 -11.062 11.542 1.00 0.00 C ATOM 0 H THR A 93 5.164 -9.531 8.882 1.00 0.00 H new ATOM 0 HA THR A 93 4.901 -12.505 8.964 1.00 0.00 H new ATOM 0 HB THR A 93 3.368 -12.333 10.718 1.00 0.00 H new ATOM 0 HG1 THR A 93 2.609 -10.084 11.259 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.409 -10.996 12.513 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.658 -11.845 11.571 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.372 -10.108 11.309 1.00 0.00 H new ATOM 1479 N GLN A 94 2.854 -12.480 7.587 1.00 0.00 N ATOM 1480 CA GLN A 94 1.860 -12.491 6.527 1.00 0.00 C ATOM 1481 C GLN A 94 0.553 -11.868 7.019 1.00 0.00 C ATOM 1482 O GLN A 94 0.257 -11.898 8.213 1.00 0.00 O ATOM 1483 CB GLN A 94 1.629 -13.911 6.007 1.00 0.00 C ATOM 1484 CG GLN A 94 0.220 -14.061 5.430 1.00 0.00 C ATOM 1485 CD GLN A 94 0.026 -15.446 4.808 1.00 0.00 C ATOM 1486 OE1 GLN A 94 0.486 -15.734 3.716 1.00 0.00 O ATOM 1487 NE2 GLN A 94 -0.679 -16.284 5.564 1.00 0.00 N ATOM 0 H GLN A 94 3.031 -13.389 8.015 1.00 0.00 H new ATOM 0 HA GLN A 94 2.235 -11.892 5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.367 -14.146 5.240 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.772 -14.626 6.817 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.518 -13.906 6.217 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.048 -13.293 4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.035 -15.978 6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.863 -17.233 5.238 1.00 0.00 H new ATOM 1496 N PHE A 95 -0.195 -11.317 6.075 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.465 -10.687 6.397 1.00 0.00 C ATOM 1498 C PHE A 95 -2.320 -10.504 5.142 1.00 0.00 C ATOM 1499 O PHE A 95 -1.920 -10.903 4.050 1.00 0.00 O ATOM 1500 CB PHE A 95 -1.144 -9.313 6.988 1.00 0.00 C ATOM 1501 CG PHE A 95 0.298 -8.857 6.758 1.00 0.00 C ATOM 1502 CD1 PHE A 95 0.870 -9.002 5.532 1.00 0.00 C ATOM 1503 CD2 PHE A 95 1.008 -8.307 7.779 1.00 0.00 C ATOM 1504 CE1 PHE A 95 2.209 -8.580 5.319 1.00 0.00 C ATOM 1505 CE2 PHE A 95 2.347 -7.885 7.565 1.00 0.00 C ATOM 1506 CZ PHE A 95 2.919 -8.030 6.340 1.00 0.00 C ATOM 0 H PHE A 95 0.054 -11.293 5.086 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.024 -11.310 7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.820 -8.576 6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.340 -9.335 8.060 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.306 -9.438 4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.554 -8.191 8.752 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.663 -8.696 4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.911 -7.449 8.376 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.937 -7.708 6.178 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.482 -9.899 5.340 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.398 -9.658 4.238 1.00 0.00 C ATOM 1518 C TYR A 96 -3.795 -8.679 3.229 1.00 0.00 C ATOM 1519 O TYR A 96 -2.987 -7.826 3.592 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.647 -9.027 4.858 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.874 -9.941 4.850 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.940 -11.015 5.714 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -7.915 -9.691 3.979 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -8.096 -11.875 5.706 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -9.070 -10.550 3.971 1.00 0.00 C ATOM 1526 CZ TYR A 96 -9.103 -11.600 4.835 1.00 0.00 C ATOM 1527 OH TYR A 96 -10.194 -12.412 4.828 1.00 0.00 O ATOM 0 H TYR A 96 -3.810 -9.568 6.247 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.616 -10.586 3.710 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.425 -8.742 5.886 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.885 -8.111 4.318 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -6.126 -11.211 6.396 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.863 -8.850 3.303 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -8.161 -12.719 6.377 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.891 -10.365 3.295 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.833 -12.095 4.156 1.00 0.00 H new ATOM 1537 N VAL A 97 -4.210 -8.835 1.980 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.721 -7.976 0.916 1.00 0.00 C ATOM 1539 C VAL A 97 -4.891 -7.565 0.020 1.00 0.00 C ATOM 1540 O VAL A 97 -5.607 -8.417 -0.504 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.600 -8.680 0.149 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.213 -7.891 -1.104 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.384 -8.914 1.047 1.00 0.00 C ATOM 0 H VAL A 97 -4.880 -9.544 1.682 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.291 -7.063 1.329 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.973 -9.653 -0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.414 -8.413 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.080 -7.799 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.869 -6.898 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.602 -9.416 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.011 -7.957 1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.672 -9.537 1.894 1.00 0.00 H new ATOM 1553 N ILE A 98 -5.050 -6.258 -0.129 1.00 0.00 N ATOM 1554 CA ILE A 98 -6.121 -5.723 -0.952 1.00 0.00 C ATOM 1555 C ILE A 98 -5.519 -5.017 -2.169 1.00 0.00 C ATOM 1556 O ILE A 98 -4.724 -4.090 -2.023 1.00 0.00 O ATOM 1557 CB ILE A 98 -7.044 -4.832 -0.118 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -7.114 -5.319 1.330 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.431 -4.729 -0.757 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.387 -6.823 1.391 1.00 0.00 C ATOM 0 H ILE A 98 -4.455 -5.554 0.307 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.750 -6.529 -1.329 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.623 -3.827 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -6.176 -5.095 1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.900 -4.781 1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -9.067 -4.090 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.341 -4.301 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.874 -5.722 -0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.432 -7.143 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.337 -7.040 0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.587 -7.359 0.881 1.00 0.00 H new ATOM 1572 N GLU A 99 -5.922 -5.482 -3.342 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.432 -4.907 -4.583 1.00 0.00 C ATOM 1574 C GLU A 99 -6.424 -3.870 -5.116 1.00 0.00 C ATOM 1575 O GLU A 99 -7.633 -4.021 -4.951 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.165 -5.996 -5.625 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.025 -5.591 -6.561 1.00 0.00 C ATOM 1578 CD GLU A 99 -3.611 -6.760 -7.457 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -3.664 -7.921 -7.026 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -3.224 -6.428 -8.642 1.00 0.00 O ATOM 0 H GLU A 99 -6.582 -6.250 -3.459 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.486 -4.405 -4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.914 -6.931 -5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.069 -6.179 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.338 -4.748 -7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.169 -5.257 -5.974 1.00 0.00 H new ATOM 1588 N PHE A 100 -5.875 -2.841 -5.743 1.00 0.00 N ATOM 1589 CA PHE A 100 -6.696 -1.779 -6.300 1.00 0.00 C ATOM 1590 C PHE A 100 -6.058 -1.198 -7.563 1.00 0.00 C ATOM 1591 O PHE A 100 -4.883 -1.439 -7.837 1.00 0.00 O ATOM 1592 CB PHE A 100 -6.788 -0.681 -5.239 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.507 0.139 -5.078 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -5.119 0.994 -6.061 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -4.756 0.012 -3.951 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -3.929 1.755 -5.912 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -3.566 0.773 -3.802 1.00 0.00 C ATOM 1598 CZ PHE A 100 -3.178 1.628 -4.785 1.00 0.00 C ATOM 0 H PHE A 100 -4.871 -2.719 -5.878 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.678 -2.170 -6.568 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.607 -0.009 -5.496 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.038 -1.136 -4.281 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.716 1.095 -6.956 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.064 -0.667 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.621 2.434 -6.693 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.969 0.672 -2.907 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.273 2.207 -4.671 1.00 0.00 H new ATOM 1608 N LYS A 101 -6.860 -0.444 -8.300 1.00 0.00 N ATOM 1609 CA LYS A 101 -6.389 0.174 -9.528 1.00 0.00 C ATOM 1610 C LYS A 101 -6.941 1.597 -9.622 1.00 0.00 C ATOM 1611 O LYS A 101 -8.016 1.886 -9.100 1.00 0.00 O ATOM 1612 CB LYS A 101 -6.734 -0.701 -10.734 1.00 0.00 C ATOM 1613 CG LYS A 101 -8.231 -0.641 -11.045 1.00 0.00 C ATOM 1614 CD LYS A 101 -8.487 -0.815 -12.543 1.00 0.00 C ATOM 1615 CE LYS A 101 -9.814 -0.171 -12.951 1.00 0.00 C ATOM 1616 NZ LYS A 101 -9.694 0.463 -14.283 1.00 0.00 N ATOM 0 H LYS A 101 -7.834 -0.247 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.302 0.254 -9.522 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.165 -0.370 -11.603 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.441 -1.732 -10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.753 -1.421 -10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.637 0.314 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.671 -0.366 -13.110 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.502 -1.876 -12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.600 -0.925 -12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.106 0.575 -12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.603 0.895 -14.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.958 1.197 -14.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.437 -0.257 -14.988 1.00 0.00 H new ATOM 1629 N CYS A 102 -6.180 2.450 -10.293 1.00 0.00 N ATOM 1630 CA CYS A 102 -6.580 3.836 -10.463 1.00 0.00 C ATOM 1631 C CYS A 102 -7.369 3.952 -11.769 1.00 0.00 C ATOM 1632 O CYS A 102 -6.897 3.527 -12.823 1.00 0.00 O ATOM 1633 CB CYS A 102 -5.375 4.779 -10.439 1.00 0.00 C ATOM 1634 SG CYS A 102 -5.863 6.433 -11.052 1.00 0.00 S ATOM 0 H CYS A 102 -5.289 2.207 -10.725 1.00 0.00 H new ATOM 0 HA CYS A 102 -7.213 4.139 -9.629 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -4.985 4.859 -9.424 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.574 4.375 -11.058 1.00 0.00 H new ATOM 0 HG CYS A 102 -4.834 7.227 -11.026 1.00 0.00 H new ATOM 1640 N LEU A 103 -8.556 4.529 -11.656 1.00 0.00 N ATOM 1641 CA LEU A 103 -9.415 4.706 -12.815 1.00 0.00 C ATOM 1642 C LEU A 103 -9.744 6.191 -12.979 1.00 0.00 C ATOM 1643 O LEU A 103 -8.950 6.949 -13.535 1.00 0.00 O ATOM 1644 CB LEU A 103 -10.651 3.811 -12.708 1.00 0.00 C ATOM 1645 CG LEU A 103 -11.350 3.793 -11.347 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -12.089 5.108 -11.093 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -12.277 2.582 -11.222 1.00 0.00 C ATOM 0 H LEU A 103 -8.943 4.880 -10.780 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.899 4.391 -13.722 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.372 4.130 -13.461 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.359 2.791 -12.958 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.588 3.697 -10.573 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.577 5.069 -10.119 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.378 5.934 -11.110 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -12.839 5.259 -11.869 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.761 2.594 -10.245 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.036 2.622 -12.004 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.695 1.666 -11.328 1.00 0.00 H new TER 1659 LEU A 103