USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1031 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: B 38 GLN : amide:sc= 1.1 K(o=1.1,f=-2) USER MOD Set 1.2: B 55 THR OG1 : rot -129:sc= -0.0238 USER MOD Set 2.1: B 15 SER OG : rot -77:sc= 0.759 USER MOD Set 2.2: B 16 GLN : amide:sc= 0.659 K(o=1.4,f=-0.16) USER MOD Set 3.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 62 MET CE :methyl -173:sc= -1.12 (180deg=-1.32) USER MOD Set 4.1: A 12 MET CE :methyl -163:sc= -1.54 (180deg=-2.69) USER MOD Set 4.2: A 20 GLN : amide:sc= 0.295 X(o=-1.2,f=-1.7) USER MOD Set 5.1: A 15 TYR OH : rot 150:sc= 0 USER MOD Set 5.2: B 44 MET CE :methyl -138:sc= -1.45 (180deg=-3.88) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0587 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00496) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0019) USER MOD Single : A 7 LYS NZ :NH3+ -126:sc= -1.15 (180deg=-3.43!) USER MOD Single : A 11 LYS NZ :NH3+ -141:sc= -3.51! (180deg=-8.16!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 160:sc= -0.774 USER MOD Single : A 22 CYS SG : rot 81:sc= 1.22 USER MOD Single : A 26 HIS : no HD1:sc= -2.66! K(o=-2.7!,f=-0.15) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.17) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 41 SER OG : rot 97:sc= 0.127 USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 1.28 (180deg=1.11) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 82:sc= -0.0546 USER MOD Single : A 45 SER OG : rot -80:sc= 0.816 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -77:sc= 1.06 USER MOD Single : A 51 MET CE :methyl 180:sc= -0.594 (180deg=-0.594) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 141:sc= 1.22 (180deg=0.308) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 1.13 (180deg=0.807) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 140:sc= -4.02 (180deg=-8.28!) USER MOD Single : A 75 LYS NZ :NH3+ -120:sc= 0.326 (180deg=0.255) USER MOD Single : A 76 THR OG1 : rot -7:sc= 0.969 USER MOD Single : A 77 TYR OH : rot 66:sc= 1.22 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ 169:sc= 1.28 (180deg=1.13) USER MOD Single : B 29 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.14) USER MOD Single : B 30 ASN : amide:sc= -0.743 X(o=-0.74,f=-0.29) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 MET CE :methyl -157:sc= -0.187 (180deg=-0.89) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= -1.1! X(o=-1.1!,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.535 15.554 -10.296 1.00 0.00 N ATOM 2 CA GLY A 1 1.319 14.374 -9.873 1.00 0.00 C ATOM 3 C GLY A 1 2.799 14.671 -9.803 1.00 0.00 C ATOM 4 O GLY A 1 3.278 15.615 -10.435 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.075 15.865 -9.513 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.182 16.325 -10.558 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.055 15.304 -11.115 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.970 14.039 -8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.147 13.555 -10.571 1.00 0.00 H new ATOM 10 N LYS A 2 3.523 13.877 -9.030 1.00 0.00 N ATOM 11 CA LYS A 2 4.964 14.037 -8.904 1.00 0.00 C ATOM 12 C LYS A 2 5.665 12.743 -9.296 1.00 0.00 C ATOM 13 O LYS A 2 5.587 11.738 -8.583 1.00 0.00 O ATOM 14 CB LYS A 2 5.350 14.441 -7.476 1.00 0.00 C ATOM 15 CG LYS A 2 4.700 15.737 -7.012 1.00 0.00 C ATOM 16 CD LYS A 2 5.236 16.186 -5.659 1.00 0.00 C ATOM 17 CE LYS A 2 4.567 17.473 -5.190 1.00 0.00 C ATOM 18 NZ LYS A 2 3.160 17.248 -4.759 1.00 0.00 N1+ ATOM 0 H LYS A 2 3.135 13.112 -8.478 1.00 0.00 H new ATOM 0 HA LYS A 2 5.282 14.834 -9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.070 13.639 -6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.433 14.547 -7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.879 16.518 -7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.621 15.600 -6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.071 15.400 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.313 16.339 -5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.136 17.896 -4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.586 18.206 -5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.755 18.142 -4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.601 16.901 -5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.140 16.543 -3.994 1.00 0.00 H new ATOM 32 N GLY A 3 6.341 12.769 -10.434 1.00 0.00 N ATOM 33 CA GLY A 3 6.969 11.572 -10.953 1.00 0.00 C ATOM 34 C GLY A 3 8.478 11.616 -10.857 1.00 0.00 C ATOM 35 O GLY A 3 9.175 11.453 -11.859 1.00 0.00 O ATOM 0 H GLY A 3 6.466 13.601 -11.010 1.00 0.00 H new ATOM 0 HA2 GLY A 3 6.599 10.706 -10.405 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.679 11.437 -11.995 1.00 0.00 H new ATOM 39 N ASP A 4 8.984 11.842 -9.655 1.00 0.00 N ATOM 40 CA ASP A 4 10.421 11.835 -9.422 1.00 0.00 C ATOM 41 C ASP A 4 10.834 10.509 -8.798 1.00 0.00 C ATOM 42 O ASP A 4 10.420 10.180 -7.686 1.00 0.00 O ATOM 43 CB ASP A 4 10.837 12.996 -8.514 1.00 0.00 C ATOM 44 CG ASP A 4 12.315 12.959 -8.170 1.00 0.00 C ATOM 45 OD1 ASP A 4 13.130 13.481 -8.958 1.00 0.00 O ATOM 46 OD2 ASP A 4 12.667 12.411 -7.107 1.00 0.00 O1- ATOM 0 H ASP A 4 8.422 12.033 -8.825 1.00 0.00 H new ATOM 0 HA ASP A 4 10.926 11.958 -10.380 1.00 0.00 H new ATOM 0 HB2 ASP A 4 10.605 13.940 -9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.252 12.963 -7.595 1.00 0.00 H new ATOM 51 N PRO A 5 11.656 9.730 -9.509 1.00 0.00 N ATOM 52 CA PRO A 5 12.070 8.403 -9.060 1.00 0.00 C ATOM 53 C PRO A 5 13.195 8.445 -8.029 1.00 0.00 C ATOM 54 O PRO A 5 13.836 7.430 -7.754 1.00 0.00 O ATOM 55 CB PRO A 5 12.551 7.741 -10.353 1.00 0.00 C ATOM 56 CG PRO A 5 13.065 8.869 -11.182 1.00 0.00 C ATOM 57 CD PRO A 5 12.242 10.079 -10.817 1.00 0.00 C ATOM 0 HA PRO A 5 11.261 7.873 -8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.331 7.006 -10.156 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.739 7.217 -10.856 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.122 9.045 -10.984 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.973 8.643 -12.244 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.858 10.976 -10.752 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.470 10.276 -11.561 1.00 0.00 H new ATOM 65 N LYS A 6 13.433 9.619 -7.461 1.00 0.00 N ATOM 66 CA LYS A 6 14.484 9.789 -6.469 1.00 0.00 C ATOM 67 C LYS A 6 13.863 10.116 -5.119 1.00 0.00 C ATOM 68 O LYS A 6 14.547 10.487 -4.161 1.00 0.00 O ATOM 69 CB LYS A 6 15.444 10.908 -6.895 1.00 0.00 C ATOM 70 CG LYS A 6 15.836 10.855 -8.367 1.00 0.00 C ATOM 71 CD LYS A 6 16.602 9.588 -8.708 1.00 0.00 C ATOM 72 CE LYS A 6 16.771 9.425 -10.212 1.00 0.00 C ATOM 73 NZ LYS A 6 17.596 10.510 -10.803 1.00 0.00 N1+ ATOM 0 H LYS A 6 12.911 10.470 -7.671 1.00 0.00 H new ATOM 0 HA LYS A 6 15.050 8.861 -6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.979 11.872 -6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.346 10.851 -6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.939 10.913 -8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.447 11.724 -8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.582 9.615 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.075 8.723 -8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.236 8.462 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.790 9.416 -10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.699 10.350 -11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.132 11.426 -10.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.535 10.514 -10.357 1.00 0.00 H new ATOM 87 N LYS A 7 12.555 9.952 -5.063 1.00 0.00 N ATOM 88 CA LYS A 7 11.777 10.283 -3.881 1.00 0.00 C ATOM 89 C LYS A 7 11.764 9.134 -2.881 1.00 0.00 C ATOM 90 O LYS A 7 11.896 7.966 -3.257 1.00 0.00 O ATOM 91 CB LYS A 7 10.340 10.635 -4.270 1.00 0.00 C ATOM 92 CG LYS A 7 10.193 11.995 -4.928 1.00 0.00 C ATOM 93 CD LYS A 7 8.751 12.295 -5.326 1.00 0.00 C ATOM 94 CE LYS A 7 7.806 12.337 -4.127 1.00 0.00 C ATOM 95 NZ LYS A 7 7.378 10.977 -3.694 1.00 0.00 N1+ ATOM 0 H LYS A 7 12.000 9.585 -5.836 1.00 0.00 H new ATOM 0 HA LYS A 7 12.250 11.145 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.961 9.871 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.715 10.606 -3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.546 12.767 -4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.828 12.038 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.714 13.252 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.407 11.536 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.299 12.841 -3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.926 12.928 -4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.339 10.933 -3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.735 10.270 -4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.760 10.778 -2.748 1.00 0.00 H new ATOM 109 N PRO A 8 11.616 9.469 -1.588 1.00 0.00 N ATOM 110 CA PRO A 8 11.476 8.483 -0.507 1.00 0.00 C ATOM 111 C PRO A 8 10.298 7.533 -0.732 1.00 0.00 C ATOM 112 O PRO A 8 9.346 7.861 -1.446 1.00 0.00 O ATOM 113 CB PRO A 8 11.229 9.347 0.730 1.00 0.00 C ATOM 114 CG PRO A 8 11.834 10.663 0.395 1.00 0.00 C ATOM 115 CD PRO A 8 11.602 10.849 -1.073 1.00 0.00 C ATOM 0 HA PRO A 8 12.352 7.839 -0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.164 9.442 0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.691 8.912 1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.371 11.465 0.970 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.899 10.676 0.629 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.652 11.344 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.381 11.459 -1.531 1.00 0.00 H new ATOM 123 N ARG A 9 10.351 6.377 -0.084 1.00 0.00 N ATOM 124 CA ARG A 9 9.401 5.301 -0.348 1.00 0.00 C ATOM 125 C ARG A 9 8.404 5.138 0.803 1.00 0.00 C ATOM 126 O ARG A 9 7.832 4.065 0.990 1.00 0.00 O ATOM 127 CB ARG A 9 10.169 3.993 -0.555 1.00 0.00 C ATOM 128 CG ARG A 9 9.475 3.020 -1.489 1.00 0.00 C ATOM 129 CD ARG A 9 10.177 1.671 -1.538 1.00 0.00 C ATOM 130 NE ARG A 9 11.630 1.790 -1.708 1.00 0.00 N ATOM 131 CZ ARG A 9 12.275 1.643 -2.872 1.00 0.00 C ATOM 132 NH1 ARG A 9 11.597 1.414 -3.991 1.00 0.00 N1+ ATOM 133 NH2 ARG A 9 13.600 1.718 -2.914 1.00 0.00 N ATOM 0 H ARG A 9 11.044 6.158 0.631 1.00 0.00 H new ATOM 0 HA ARG A 9 8.836 5.553 -1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.158 4.222 -0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.317 3.512 0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.444 2.880 -1.164 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.438 3.445 -2.492 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.967 1.124 -0.619 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.767 1.083 -2.359 1.00 0.00 H new ATOM 0 HE ARG A 9 12.188 2.000 -0.880 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.579 1.349 -3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.094 1.303 -4.875 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.129 1.888 -2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.089 1.606 -3.802 1.00 0.00 H new ATOM 147 N GLY A 10 8.181 6.209 1.552 1.00 0.00 N ATOM 148 CA GLY A 10 7.382 6.110 2.762 1.00 0.00 C ATOM 149 C GLY A 10 5.921 6.492 2.584 1.00 0.00 C ATOM 150 O GLY A 10 5.187 5.803 1.889 1.00 0.00 O ATOM 0 H GLY A 10 8.537 7.143 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.434 5.087 3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.822 6.751 3.526 1.00 0.00 H new ATOM 154 N LYS A 11 5.590 7.674 3.122 1.00 0.00 N ATOM 155 CA LYS A 11 4.220 8.217 3.382 1.00 0.00 C ATOM 156 C LYS A 11 2.978 7.346 3.077 1.00 0.00 C ATOM 157 O LYS A 11 1.907 7.898 2.800 1.00 0.00 O ATOM 158 CB LYS A 11 4.072 9.549 2.658 1.00 0.00 C ATOM 159 CG LYS A 11 4.842 10.690 3.304 1.00 0.00 C ATOM 160 CD LYS A 11 4.171 11.207 4.576 1.00 0.00 C ATOM 161 CE LYS A 11 4.775 10.628 5.855 1.00 0.00 C ATOM 162 NZ LYS A 11 4.278 9.257 6.165 1.00 0.00 N1+ ATOM 0 H LYS A 11 6.312 8.333 3.413 1.00 0.00 H new ATOM 0 HA LYS A 11 4.200 8.283 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.411 9.432 1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.015 9.814 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.851 10.354 3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.938 11.508 2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.250 12.294 4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.109 10.966 4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.860 10.602 5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.545 11.289 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.134 9.164 7.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.376 9.095 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.976 8.555 5.848 1.00 0.00 H new ATOM 176 N MET A 12 3.078 6.034 3.142 1.00 0.00 N ATOM 177 CA MET A 12 1.901 5.185 3.023 1.00 0.00 C ATOM 178 C MET A 12 1.368 4.826 4.403 1.00 0.00 C ATOM 179 O MET A 12 2.027 5.075 5.412 1.00 0.00 O ATOM 180 CB MET A 12 2.225 3.911 2.253 1.00 0.00 C ATOM 181 CG MET A 12 2.729 4.163 0.846 1.00 0.00 C ATOM 182 SD MET A 12 3.008 2.634 -0.062 1.00 0.00 S ATOM 183 CE MET A 12 4.004 1.728 1.118 1.00 0.00 C ATOM 0 H MET A 12 3.955 5.531 3.276 1.00 0.00 H new ATOM 0 HA MET A 12 1.140 5.740 2.475 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.977 3.345 2.803 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.331 3.289 2.204 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.006 4.776 0.308 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.658 4.731 0.891 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.508 0.905 0.612 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.747 2.395 1.555 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.364 1.332 1.906 1.00 0.00 H new ATOM 193 N SER A 13 0.176 4.248 4.446 1.00 0.00 N ATOM 194 CA SER A 13 -0.417 3.824 5.705 1.00 0.00 C ATOM 195 C SER A 13 0.075 2.431 6.091 1.00 0.00 C ATOM 196 O SER A 13 0.770 1.772 5.315 1.00 0.00 O ATOM 197 CB SER A 13 -1.942 3.842 5.605 1.00 0.00 C ATOM 198 OG SER A 13 -2.410 5.136 5.269 1.00 0.00 O ATOM 0 H SER A 13 -0.399 4.062 3.624 1.00 0.00 H new ATOM 0 HA SER A 13 -0.110 4.523 6.483 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.270 3.125 4.852 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.377 3.529 6.554 1.00 0.00 H new ATOM 0 HG SER A 13 -3.388 5.125 5.208 1.00 0.00 H new ATOM 204 N SER A 14 -0.307 1.990 7.285 1.00 0.00 N ATOM 205 CA SER A 14 0.161 0.729 7.851 1.00 0.00 C ATOM 206 C SER A 14 -0.131 -0.462 6.932 1.00 0.00 C ATOM 207 O SER A 14 0.674 -1.385 6.833 1.00 0.00 O ATOM 208 CB SER A 14 -0.511 0.506 9.202 1.00 0.00 C ATOM 209 OG SER A 14 -0.548 1.710 9.953 1.00 0.00 O ATOM 0 H SER A 14 -0.952 2.499 7.890 1.00 0.00 H new ATOM 0 HA SER A 14 1.243 0.796 7.967 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.525 0.135 9.052 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.029 -0.259 9.760 1.00 0.00 H new ATOM 0 HG SER A 14 -1.239 1.643 10.645 1.00 0.00 H new ATOM 215 N TYR A 15 -1.280 -0.428 6.266 1.00 0.00 N ATOM 216 CA TYR A 15 -1.703 -1.522 5.396 1.00 0.00 C ATOM 217 C TYR A 15 -0.707 -1.726 4.250 1.00 0.00 C ATOM 218 O TYR A 15 -0.199 -2.834 4.043 1.00 0.00 O ATOM 219 CB TYR A 15 -3.114 -1.236 4.860 1.00 0.00 C ATOM 220 CG TYR A 15 -3.757 -2.392 4.126 1.00 0.00 C ATOM 221 CD1 TYR A 15 -3.664 -3.687 4.611 1.00 0.00 C ATOM 222 CD2 TYR A 15 -4.483 -2.179 2.962 1.00 0.00 C ATOM 223 CE1 TYR A 15 -4.274 -4.741 3.955 1.00 0.00 C ATOM 224 CE2 TYR A 15 -5.092 -3.225 2.297 1.00 0.00 C ATOM 225 CZ TYR A 15 -4.987 -4.505 2.800 1.00 0.00 C ATOM 226 OH TYR A 15 -5.600 -5.553 2.147 1.00 0.00 O ATOM 0 H TYR A 15 -1.939 0.349 6.312 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.728 -2.446 5.973 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.755 -0.952 5.695 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.066 -0.378 4.189 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.106 -3.876 5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.573 -1.177 2.569 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.192 -5.744 4.346 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.647 -3.042 1.389 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.402 -5.228 1.687 1.00 0.00 H new ATOM 236 N ALA A 16 -0.412 -0.654 3.521 1.00 0.00 N ATOM 237 CA ALA A 16 0.542 -0.727 2.419 1.00 0.00 C ATOM 238 C ALA A 16 1.963 -0.873 2.937 1.00 0.00 C ATOM 239 O ALA A 16 2.805 -1.499 2.297 1.00 0.00 O ATOM 240 CB ALA A 16 0.434 0.493 1.517 1.00 0.00 C ATOM 0 H ALA A 16 -0.817 0.270 3.672 1.00 0.00 H new ATOM 0 HA ALA A 16 0.296 -1.611 1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.157 0.410 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.572 0.551 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.640 1.393 2.096 1.00 0.00 H new ATOM 246 N PHE A 17 2.230 -0.300 4.102 1.00 0.00 N ATOM 247 CA PHE A 17 3.552 -0.390 4.700 1.00 0.00 C ATOM 248 C PHE A 17 3.862 -1.833 5.070 1.00 0.00 C ATOM 249 O PHE A 17 4.985 -2.302 4.886 1.00 0.00 O ATOM 250 CB PHE A 17 3.652 0.513 5.927 1.00 0.00 C ATOM 251 CG PHE A 17 4.873 1.385 5.906 1.00 0.00 C ATOM 252 CD1 PHE A 17 4.849 2.611 5.257 1.00 0.00 C ATOM 253 CD2 PHE A 17 6.047 0.978 6.519 1.00 0.00 C ATOM 254 CE1 PHE A 17 5.972 3.414 5.223 1.00 0.00 C ATOM 255 CE2 PHE A 17 7.173 1.777 6.487 1.00 0.00 C ATOM 256 CZ PHE A 17 7.135 2.996 5.839 1.00 0.00 C ATOM 0 H PHE A 17 1.551 0.230 4.649 1.00 0.00 H new ATOM 0 HA PHE A 17 4.287 -0.051 3.970 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.763 1.141 5.984 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.666 -0.103 6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.942 2.941 4.773 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.082 0.026 7.027 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.941 4.367 4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.082 1.449 6.968 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.015 3.622 5.814 1.00 0.00 H new ATOM 266 N PHE A 18 2.845 -2.531 5.569 1.00 0.00 N ATOM 267 CA PHE A 18 2.951 -3.947 5.902 1.00 0.00 C ATOM 268 C PHE A 18 3.456 -4.758 4.712 1.00 0.00 C ATOM 269 O PHE A 18 4.427 -5.513 4.827 1.00 0.00 O ATOM 270 CB PHE A 18 1.582 -4.470 6.371 1.00 0.00 C ATOM 271 CG PHE A 18 1.393 -5.956 6.211 1.00 0.00 C ATOM 272 CD1 PHE A 18 2.050 -6.858 7.033 1.00 0.00 C ATOM 273 CD2 PHE A 18 0.552 -6.448 5.226 1.00 0.00 C ATOM 274 CE1 PHE A 18 1.873 -8.219 6.874 1.00 0.00 C ATOM 275 CE2 PHE A 18 0.371 -7.807 5.063 1.00 0.00 C ATOM 276 CZ PHE A 18 1.034 -8.693 5.886 1.00 0.00 C ATOM 0 H PHE A 18 1.925 -2.130 5.753 1.00 0.00 H new ATOM 0 HA PHE A 18 3.675 -4.061 6.709 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.448 -4.210 7.421 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.800 -3.955 5.813 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.708 -6.493 7.807 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.031 -5.759 4.577 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.390 -8.911 7.522 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.289 -8.176 4.292 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.897 -9.757 5.758 1.00 0.00 H new ATOM 286 N VAL A 19 2.810 -4.593 3.567 1.00 0.00 N ATOM 287 CA VAL A 19 3.182 -5.364 2.389 1.00 0.00 C ATOM 288 C VAL A 19 4.505 -4.859 1.801 1.00 0.00 C ATOM 289 O VAL A 19 5.299 -5.646 1.288 1.00 0.00 O ATOM 290 CB VAL A 19 2.069 -5.342 1.313 1.00 0.00 C ATOM 291 CG1 VAL A 19 2.019 -4.008 0.600 1.00 0.00 C ATOM 292 CG2 VAL A 19 2.241 -6.474 0.316 1.00 0.00 C ATOM 0 H VAL A 19 2.037 -3.942 3.428 1.00 0.00 H new ATOM 0 HA VAL A 19 3.314 -6.398 2.708 1.00 0.00 H new ATOM 0 HB VAL A 19 1.119 -5.487 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.227 -4.025 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.818 -3.217 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.976 -3.820 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.444 -6.430 -0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.206 -6.377 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.198 -7.429 0.839 1.00 0.00 H new ATOM 302 N GLN A 20 4.759 -3.553 1.906 1.00 0.00 N ATOM 303 CA GLN A 20 5.977 -2.981 1.347 1.00 0.00 C ATOM 304 C GLN A 20 7.199 -3.467 2.103 1.00 0.00 C ATOM 305 O GLN A 20 8.160 -3.920 1.494 1.00 0.00 O ATOM 306 CB GLN A 20 5.963 -1.454 1.372 1.00 0.00 C ATOM 307 CG GLN A 20 7.185 -0.855 0.686 1.00 0.00 C ATOM 308 CD GLN A 20 7.512 0.551 1.144 1.00 0.00 C ATOM 309 OE1 GLN A 20 8.255 0.739 2.104 1.00 0.00 O ATOM 310 NE2 GLN A 20 6.989 1.543 0.448 1.00 0.00 N ATOM 0 H GLN A 20 4.144 -2.882 2.367 1.00 0.00 H new ATOM 0 HA GLN A 20 6.023 -3.312 0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.059 -1.093 0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.924 -1.110 2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.046 -1.497 0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.019 -0.847 -0.391 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.376 1.344 -0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.197 2.509 0.701 1.00 0.00 H new ATOM 319 N THR A 21 7.161 -3.375 3.429 1.00 0.00 N ATOM 320 CA THR A 21 8.311 -3.735 4.245 1.00 0.00 C ATOM 321 C THR A 21 8.696 -5.198 4.034 1.00 0.00 C ATOM 322 O THR A 21 9.876 -5.538 4.061 1.00 0.00 O ATOM 323 CB THR A 21 8.066 -3.458 5.750 1.00 0.00 C ATOM 324 OG1 THR A 21 9.256 -3.720 6.501 1.00 0.00 O ATOM 325 CG2 THR A 21 6.930 -4.307 6.297 1.00 0.00 C ATOM 0 H THR A 21 6.349 -3.055 3.957 1.00 0.00 H new ATOM 0 HA THR A 21 9.138 -3.103 3.921 1.00 0.00 H new ATOM 0 HB THR A 21 7.790 -2.408 5.849 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.090 -3.540 7.450 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.787 -4.086 7.355 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.013 -4.082 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.174 -5.362 6.177 1.00 0.00 H new ATOM 333 N CYS A 22 7.708 -6.057 3.803 1.00 0.00 N ATOM 334 CA CYS A 22 7.976 -7.464 3.539 1.00 0.00 C ATOM 335 C CYS A 22 8.612 -7.640 2.157 1.00 0.00 C ATOM 336 O CYS A 22 9.530 -8.444 1.976 1.00 0.00 O ATOM 337 CB CYS A 22 6.680 -8.273 3.646 1.00 0.00 C ATOM 338 SG CYS A 22 5.870 -8.139 5.257 1.00 0.00 S ATOM 0 H CYS A 22 6.720 -5.804 3.793 1.00 0.00 H new ATOM 0 HA CYS A 22 8.680 -7.834 4.285 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.988 -7.938 2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.899 -9.322 3.446 1.00 0.00 H new ATOM 0 HG CYS A 22 5.188 -7.034 5.309 1.00 0.00 H new ATOM 344 N ARG A 23 8.127 -6.867 1.196 1.00 0.00 N ATOM 345 CA ARG A 23 8.638 -6.896 -0.170 1.00 0.00 C ATOM 346 C ARG A 23 10.039 -6.300 -0.242 1.00 0.00 C ATOM 347 O ARG A 23 10.962 -6.878 -0.817 1.00 0.00 O ATOM 348 CB ARG A 23 7.712 -6.081 -1.074 1.00 0.00 C ATOM 349 CG ARG A 23 8.162 -6.010 -2.522 1.00 0.00 C ATOM 350 CD ARG A 23 7.788 -4.675 -3.146 1.00 0.00 C ATOM 351 NE ARG A 23 8.635 -3.581 -2.661 1.00 0.00 N ATOM 352 CZ ARG A 23 8.275 -2.299 -2.673 1.00 0.00 C ATOM 353 NH1 ARG A 23 7.047 -1.954 -3.041 1.00 0.00 N1+ ATOM 354 NH2 ARG A 23 9.135 -1.362 -2.299 1.00 0.00 N ATOM 0 H ARG A 23 7.368 -6.201 1.340 1.00 0.00 H new ATOM 0 HA ARG A 23 8.678 -7.935 -0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.712 -6.514 -1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.636 -5.068 -0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.241 -6.152 -2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.704 -6.821 -3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.874 -4.746 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.745 -4.451 -2.923 1.00 0.00 H new ATOM 0 HE ARG A 23 9.556 -3.816 -2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.376 -2.672 -3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.774 -0.971 -3.049 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.075 -1.622 -2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.857 -0.381 -2.309 1.00 0.00 H new ATOM 368 N GLU A 24 10.177 -5.135 0.352 1.00 0.00 N ATOM 369 CA GLU A 24 11.392 -4.353 0.256 1.00 0.00 C ATOM 370 C GLU A 24 12.516 -4.983 1.090 1.00 0.00 C ATOM 371 O GLU A 24 13.693 -4.897 0.731 1.00 0.00 O ATOM 372 CB GLU A 24 11.077 -2.914 0.686 1.00 0.00 C ATOM 373 CG GLU A 24 12.233 -1.936 0.542 1.00 0.00 C ATOM 374 CD GLU A 24 12.538 -1.616 -0.909 1.00 0.00 C ATOM 375 OE1 GLU A 24 11.638 -1.794 -1.766 1.00 0.00 O1- ATOM 376 OE2 GLU A 24 13.669 -1.190 -1.203 1.00 0.00 O ATOM 0 H GLU A 24 9.447 -4.701 0.918 1.00 0.00 H new ATOM 0 HA GLU A 24 11.753 -4.338 -0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.236 -2.550 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.755 -2.923 1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.995 -1.014 1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.122 -2.355 1.014 1.00 0.00 H new ATOM 383 N GLU A 25 12.156 -5.653 2.183 1.00 0.00 N ATOM 384 CA GLU A 25 13.144 -6.379 2.977 1.00 0.00 C ATOM 385 C GLU A 25 13.636 -7.601 2.210 1.00 0.00 C ATOM 386 O GLU A 25 14.782 -8.031 2.365 1.00 0.00 O ATOM 387 CB GLU A 25 12.571 -6.792 4.336 1.00 0.00 C ATOM 388 CG GLU A 25 13.538 -7.612 5.177 1.00 0.00 C ATOM 389 CD GLU A 25 13.240 -7.538 6.656 1.00 0.00 C ATOM 390 OE1 GLU A 25 13.734 -6.595 7.314 1.00 0.00 O1- ATOM 391 OE2 GLU A 25 12.528 -8.422 7.172 1.00 0.00 O ATOM 0 H GLU A 25 11.200 -5.708 2.535 1.00 0.00 H new ATOM 0 HA GLU A 25 13.987 -5.714 3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.289 -5.897 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.660 -7.369 4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.499 -8.653 4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.554 -7.261 4.998 1.00 0.00 H new ATOM 398 N HIS A 26 12.768 -8.143 1.364 1.00 0.00 N ATOM 399 CA HIS A 26 13.136 -9.252 0.495 1.00 0.00 C ATOM 400 C HIS A 26 14.289 -8.819 -0.411 1.00 0.00 C ATOM 401 O HIS A 26 15.178 -9.608 -0.707 1.00 0.00 O ATOM 402 CB HIS A 26 11.923 -9.691 -0.336 1.00 0.00 C ATOM 403 CG HIS A 26 12.074 -11.007 -1.049 1.00 0.00 C ATOM 404 ND1 HIS A 26 10.997 -11.794 -1.383 1.00 0.00 N ATOM 405 CD2 HIS A 26 13.164 -11.656 -1.526 1.00 0.00 C ATOM 406 CE1 HIS A 26 11.412 -12.862 -2.035 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.724 -12.804 -2.136 1.00 0.00 N ATOM 0 H HIS A 26 11.802 -7.831 1.262 1.00 0.00 H new ATOM 0 HA HIS A 26 13.460 -10.101 1.097 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.055 -9.750 0.321 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.711 -8.918 -1.075 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.190 -11.330 -1.442 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.783 -13.651 -2.421 1.00 0.00 H new ATOM 0 HE2 HIS A 26 13.316 -13.498 -2.593 1.00 0.00 H new ATOM 416 N LYS A 27 14.272 -7.554 -0.830 1.00 0.00 N ATOM 417 CA LYS A 27 15.360 -6.994 -1.636 1.00 0.00 C ATOM 418 C LYS A 27 16.691 -7.048 -0.891 1.00 0.00 C ATOM 419 O LYS A 27 17.712 -7.415 -1.464 1.00 0.00 O ATOM 420 CB LYS A 27 15.079 -5.542 -2.004 1.00 0.00 C ATOM 421 CG LYS A 27 13.936 -5.328 -2.976 1.00 0.00 C ATOM 422 CD LYS A 27 13.795 -3.848 -3.261 1.00 0.00 C ATOM 423 CE LYS A 27 12.685 -3.542 -4.245 1.00 0.00 C ATOM 424 NZ LYS A 27 12.489 -2.076 -4.366 1.00 0.00 N1+ ATOM 0 H LYS A 27 13.519 -6.897 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 27 15.422 -7.601 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.865 -4.988 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.984 -5.112 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.123 -5.872 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.009 -5.720 -2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.602 -3.320 -2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.738 -3.467 -3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.928 -3.964 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.759 -4.013 -3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.784 -1.880 -5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.154 -1.694 -3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.391 -1.625 -4.619 1.00 0.00 H new ATOM 438 N LYS A 28 16.671 -6.671 0.387 1.00 0.00 N ATOM 439 CA LYS A 28 17.890 -6.651 1.200 1.00 0.00 C ATOM 440 C LYS A 28 18.579 -8.014 1.208 1.00 0.00 C ATOM 441 O LYS A 28 19.806 -8.102 1.222 1.00 0.00 O ATOM 442 CB LYS A 28 17.583 -6.227 2.639 1.00 0.00 C ATOM 443 CG LYS A 28 17.106 -4.788 2.776 1.00 0.00 C ATOM 444 CD LYS A 28 16.948 -4.392 4.240 1.00 0.00 C ATOM 445 CE LYS A 28 15.878 -5.224 4.935 1.00 0.00 C ATOM 446 NZ LYS A 28 15.821 -4.976 6.400 1.00 0.00 N1+ ATOM 0 H LYS A 28 15.829 -6.376 0.881 1.00 0.00 H new ATOM 0 HA LYS A 28 18.563 -5.922 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.821 -6.891 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.480 -6.360 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.817 -4.119 2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.153 -4.668 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.900 -4.518 4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.688 -3.336 4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.906 -5.000 4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.073 -6.282 4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.124 -5.615 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.757 -5.149 6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.541 -3.990 6.574 1.00 0.00 H new ATOM 460 N LYS A 29 17.784 -9.072 1.194 1.00 0.00 N ATOM 461 CA LYS A 29 18.315 -10.428 1.243 1.00 0.00 C ATOM 462 C LYS A 29 18.474 -11.006 -0.163 1.00 0.00 C ATOM 463 O LYS A 29 19.310 -11.880 -0.404 1.00 0.00 O ATOM 464 CB LYS A 29 17.388 -11.304 2.085 1.00 0.00 C ATOM 465 CG LYS A 29 17.224 -10.789 3.506 1.00 0.00 C ATOM 466 CD LYS A 29 16.179 -11.575 4.282 1.00 0.00 C ATOM 467 CE LYS A 29 16.063 -11.064 5.709 1.00 0.00 C ATOM 468 NZ LYS A 29 15.026 -11.792 6.487 1.00 0.00 N1+ ATOM 0 H LYS A 29 16.766 -9.019 1.149 1.00 0.00 H new ATOM 0 HA LYS A 29 19.303 -10.404 1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.410 -11.355 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.782 -12.320 2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.181 -10.848 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.940 -9.737 3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.213 -11.494 3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.446 -12.632 4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.027 -11.166 6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.823 -10.001 5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.984 -11.409 7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.101 -11.674 6.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.267 -12.803 6.526 1.00 0.00 H new ATOM 482 N HIS A 30 17.676 -10.499 -1.086 1.00 0.00 N ATOM 483 CA HIS A 30 17.688 -10.953 -2.471 1.00 0.00 C ATOM 484 C HIS A 30 17.552 -9.759 -3.404 1.00 0.00 C ATOM 485 O HIS A 30 16.445 -9.301 -3.669 1.00 0.00 O ATOM 486 CB HIS A 30 16.544 -11.940 -2.751 1.00 0.00 C ATOM 487 CG HIS A 30 16.748 -13.312 -2.187 1.00 0.00 C ATOM 488 ND1 HIS A 30 17.221 -14.369 -2.932 1.00 0.00 N ATOM 489 CD2 HIS A 30 16.505 -13.806 -0.951 1.00 0.00 C ATOM 490 CE1 HIS A 30 17.258 -15.453 -2.182 1.00 0.00 C ATOM 491 NE2 HIS A 30 16.830 -15.137 -0.974 1.00 0.00 N ATOM 0 H HIS A 30 16.999 -9.759 -0.899 1.00 0.00 H new ATOM 0 HA HIS A 30 18.635 -11.464 -2.645 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.620 -11.529 -2.344 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.409 -12.022 -3.830 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.125 -13.254 -0.104 1.00 0.00 H new ATOM 0 HE1 HIS A 30 17.583 -16.432 -2.502 1.00 0.00 H new ATOM 0 HE2 HIS A 30 16.754 -15.779 -0.185 1.00 0.00 H new ATOM 500 N PRO A 31 18.673 -9.212 -3.888 1.00 0.00 N ATOM 501 CA PRO A 31 18.666 -8.063 -4.806 1.00 0.00 C ATOM 502 C PRO A 31 17.997 -8.405 -6.134 1.00 0.00 C ATOM 503 O PRO A 31 17.635 -7.525 -6.913 1.00 0.00 O ATOM 504 CB PRO A 31 20.155 -7.755 -5.012 1.00 0.00 C ATOM 505 CG PRO A 31 20.849 -8.428 -3.876 1.00 0.00 C ATOM 506 CD PRO A 31 20.038 -9.652 -3.577 1.00 0.00 C ATOM 0 HA PRO A 31 18.103 -7.219 -4.407 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.508 -8.135 -5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 31 20.340 -6.681 -5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.873 -8.691 -4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.905 -7.773 -3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.341 -10.500 -4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 31 20.138 -9.961 -2.536 1.00 0.00 H new ATOM 514 N ASP A 32 17.826 -9.701 -6.362 1.00 0.00 N ATOM 515 CA ASP A 32 17.198 -10.219 -7.572 1.00 0.00 C ATOM 516 C ASP A 32 15.712 -10.486 -7.344 1.00 0.00 C ATOM 517 O ASP A 32 15.060 -11.146 -8.155 1.00 0.00 O ATOM 518 CB ASP A 32 17.887 -11.522 -7.987 1.00 0.00 C ATOM 519 CG ASP A 32 17.815 -12.583 -6.899 1.00 0.00 C ATOM 520 OD1 ASP A 32 18.604 -12.496 -5.929 1.00 0.00 O1- ATOM 521 OD2 ASP A 32 16.967 -13.491 -7.001 1.00 0.00 O ATOM 0 H ASP A 32 18.121 -10.427 -5.709 1.00 0.00 H new ATOM 0 HA ASP A 32 17.301 -9.473 -8.360 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.421 -11.904 -8.896 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.931 -11.319 -8.225 1.00 0.00 H new ATOM 526 N ALA A 33 15.177 -9.961 -6.249 1.00 0.00 N ATOM 527 CA ALA A 33 13.801 -10.246 -5.856 1.00 0.00 C ATOM 528 C ALA A 33 12.775 -9.536 -6.734 1.00 0.00 C ATOM 529 O ALA A 33 12.372 -8.408 -6.452 1.00 0.00 O ATOM 530 CB ALA A 33 13.573 -9.879 -4.402 1.00 0.00 C ATOM 0 H ALA A 33 15.675 -9.335 -5.616 1.00 0.00 H new ATOM 0 HA ALA A 33 13.658 -11.318 -5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.541 -10.099 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.247 -10.458 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 33 13.767 -8.816 -4.260 1.00 0.00 H new ATOM 536 N SER A 34 12.374 -10.197 -7.804 1.00 0.00 N ATOM 537 CA SER A 34 11.235 -9.758 -8.586 1.00 0.00 C ATOM 538 C SER A 34 10.010 -10.546 -8.147 1.00 0.00 C ATOM 539 O SER A 34 9.794 -11.674 -8.592 1.00 0.00 O ATOM 540 CB SER A 34 11.488 -9.949 -10.084 1.00 0.00 C ATOM 541 OG SER A 34 12.527 -9.096 -10.543 1.00 0.00 O ATOM 0 H SER A 34 12.823 -11.044 -8.152 1.00 0.00 H new ATOM 0 HA SER A 34 11.071 -8.694 -8.417 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.753 -10.988 -10.281 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.573 -9.743 -10.639 1.00 0.00 H new ATOM 0 HG SER A 34 12.669 -9.240 -11.502 1.00 0.00 H new ATOM 547 N VAL A 35 9.245 -9.980 -7.226 1.00 0.00 N ATOM 548 CA VAL A 35 8.099 -10.681 -6.671 1.00 0.00 C ATOM 549 C VAL A 35 6.911 -10.606 -7.624 1.00 0.00 C ATOM 550 O VAL A 35 6.813 -9.688 -8.440 1.00 0.00 O ATOM 551 CB VAL A 35 7.679 -10.118 -5.288 1.00 0.00 C ATOM 552 CG1 VAL A 35 8.891 -9.865 -4.400 1.00 0.00 C ATOM 553 CG2 VAL A 35 6.852 -8.852 -5.435 1.00 0.00 C ATOM 0 H VAL A 35 9.396 -9.044 -6.850 1.00 0.00 H new ATOM 0 HA VAL A 35 8.402 -11.719 -6.537 1.00 0.00 H new ATOM 0 HB VAL A 35 7.059 -10.874 -4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.562 -9.471 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.429 -10.800 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.550 -9.143 -4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.574 -8.483 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.437 -8.093 -5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.951 -9.071 -6.008 1.00 0.00 H new ATOM 563 N ASN A 36 6.025 -11.584 -7.533 1.00 0.00 N ATOM 564 CA ASN A 36 4.786 -11.552 -8.297 1.00 0.00 C ATOM 565 C ASN A 36 3.763 -10.704 -7.557 1.00 0.00 C ATOM 566 O ASN A 36 3.412 -11.014 -6.417 1.00 0.00 O ATOM 567 CB ASN A 36 4.231 -12.965 -8.517 1.00 0.00 C ATOM 568 CG ASN A 36 4.940 -13.743 -9.618 1.00 0.00 C ATOM 569 OD1 ASN A 36 4.343 -14.608 -10.257 1.00 0.00 O ATOM 570 ND2 ASN A 36 6.208 -13.448 -9.852 1.00 0.00 N ATOM 0 H ASN A 36 6.138 -12.407 -6.941 1.00 0.00 H new ATOM 0 HA ASN A 36 4.993 -11.117 -9.275 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.307 -13.524 -7.584 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.171 -12.894 -8.761 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.721 -13.944 -10.581 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.673 -12.725 -9.303 1.00 0.00 H new ATOM 577 N PHE A 37 3.304 -9.633 -8.197 1.00 0.00 N ATOM 578 CA PHE A 37 2.330 -8.726 -7.588 1.00 0.00 C ATOM 579 C PHE A 37 1.101 -9.496 -7.123 1.00 0.00 C ATOM 580 O PHE A 37 0.623 -9.314 -6.002 1.00 0.00 O ATOM 581 CB PHE A 37 1.904 -7.640 -8.580 1.00 0.00 C ATOM 582 CG PHE A 37 2.968 -6.622 -8.882 1.00 0.00 C ATOM 583 CD1 PHE A 37 3.973 -6.891 -9.797 1.00 0.00 C ATOM 584 CD2 PHE A 37 2.950 -5.387 -8.257 1.00 0.00 C ATOM 585 CE1 PHE A 37 4.941 -5.948 -10.081 1.00 0.00 C ATOM 586 CE2 PHE A 37 3.913 -4.440 -8.539 1.00 0.00 C ATOM 587 CZ PHE A 37 4.910 -4.720 -9.450 1.00 0.00 C ATOM 0 H PHE A 37 3.590 -9.369 -9.140 1.00 0.00 H new ATOM 0 HA PHE A 37 2.806 -8.254 -6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.599 -8.116 -9.512 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.029 -7.126 -8.183 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.000 -7.849 -10.294 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.174 -5.162 -7.541 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.720 -6.170 -10.795 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.886 -3.479 -8.046 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.665 -3.980 -9.670 1.00 0.00 H new ATOM 597 N SER A 38 0.614 -10.374 -7.987 1.00 0.00 N ATOM 598 CA SER A 38 -0.547 -11.194 -7.690 1.00 0.00 C ATOM 599 C SER A 38 -0.300 -12.078 -6.471 1.00 0.00 C ATOM 600 O SER A 38 -1.014 -11.986 -5.474 1.00 0.00 O ATOM 601 CB SER A 38 -0.887 -12.045 -8.913 1.00 0.00 C ATOM 602 OG SER A 38 0.287 -12.623 -9.459 1.00 0.00 O ATOM 0 H SER A 38 1.013 -10.537 -8.912 1.00 0.00 H new ATOM 0 HA SER A 38 -1.389 -10.543 -7.455 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.589 -12.830 -8.633 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.380 -11.430 -9.666 1.00 0.00 H new ATOM 0 HG SER A 38 0.051 -13.166 -10.240 1.00 0.00 H new ATOM 608 N GLU A 39 0.725 -12.913 -6.559 1.00 0.00 N ATOM 609 CA GLU A 39 1.077 -13.846 -5.492 1.00 0.00 C ATOM 610 C GLU A 39 1.296 -13.138 -4.160 1.00 0.00 C ATOM 611 O GLU A 39 0.749 -13.539 -3.129 1.00 0.00 O ATOM 612 CB GLU A 39 2.348 -14.605 -5.869 1.00 0.00 C ATOM 613 CG GLU A 39 2.171 -15.546 -7.044 1.00 0.00 C ATOM 614 CD GLU A 39 1.363 -16.773 -6.679 1.00 0.00 C ATOM 615 OE1 GLU A 39 0.123 -16.686 -6.624 1.00 0.00 O ATOM 616 OE2 GLU A 39 1.974 -17.831 -6.423 1.00 0.00 O1- ATOM 0 H GLU A 39 1.339 -12.965 -7.372 1.00 0.00 H new ATOM 0 HA GLU A 39 0.241 -14.536 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.133 -13.886 -6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.689 -15.176 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.677 -15.017 -7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.150 -15.854 -7.411 1.00 0.00 H new ATOM 623 N PHE A 40 2.088 -12.081 -4.192 1.00 0.00 N ATOM 624 CA PHE A 40 2.525 -11.424 -2.976 1.00 0.00 C ATOM 625 C PHE A 40 1.377 -10.686 -2.293 1.00 0.00 C ATOM 626 O PHE A 40 1.129 -10.888 -1.104 1.00 0.00 O ATOM 627 CB PHE A 40 3.673 -10.466 -3.284 1.00 0.00 C ATOM 628 CG PHE A 40 4.387 -9.985 -2.056 1.00 0.00 C ATOM 629 CD1 PHE A 40 5.074 -10.877 -1.252 1.00 0.00 C ATOM 630 CD2 PHE A 40 4.366 -8.649 -1.704 1.00 0.00 C ATOM 631 CE1 PHE A 40 5.728 -10.445 -0.117 1.00 0.00 C ATOM 632 CE2 PHE A 40 5.018 -8.211 -0.569 1.00 0.00 C ATOM 633 CZ PHE A 40 5.701 -9.111 0.224 1.00 0.00 C ATOM 0 H PHE A 40 2.442 -11.659 -5.051 1.00 0.00 H new ATOM 0 HA PHE A 40 2.876 -12.190 -2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.387 -10.964 -3.940 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.284 -9.607 -3.830 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.099 -11.924 -1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.835 -7.941 -2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.260 -11.151 0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.994 -7.165 -0.302 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.214 -8.769 1.111 1.00 0.00 H new ATOM 643 N SER A 41 0.674 -9.847 -3.042 1.00 0.00 N ATOM 644 CA SER A 41 -0.416 -9.059 -2.480 1.00 0.00 C ATOM 645 C SER A 41 -1.546 -9.971 -2.000 1.00 0.00 C ATOM 646 O SER A 41 -2.164 -9.725 -0.960 1.00 0.00 O ATOM 647 CB SER A 41 -0.941 -8.064 -3.520 1.00 0.00 C ATOM 648 OG SER A 41 -1.792 -7.101 -2.927 1.00 0.00 O ATOM 0 H SER A 41 0.838 -9.694 -4.037 1.00 0.00 H new ATOM 0 HA SER A 41 -0.035 -8.503 -1.624 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.102 -7.563 -4.003 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.483 -8.601 -4.299 1.00 0.00 H new ATOM 0 HG SER A 41 -1.281 -6.288 -2.733 1.00 0.00 H new ATOM 654 N LYS A 42 -1.784 -11.045 -2.747 1.00 0.00 N ATOM 655 CA LYS A 42 -2.838 -12.000 -2.424 1.00 0.00 C ATOM 656 C LYS A 42 -2.654 -12.579 -1.022 1.00 0.00 C ATOM 657 O LYS A 42 -3.569 -12.541 -0.202 1.00 0.00 O ATOM 658 CB LYS A 42 -2.850 -13.119 -3.468 1.00 0.00 C ATOM 659 CG LYS A 42 -3.826 -14.243 -3.178 1.00 0.00 C ATOM 660 CD LYS A 42 -3.797 -15.294 -4.279 1.00 0.00 C ATOM 661 CE LYS A 42 -2.383 -15.803 -4.529 1.00 0.00 C ATOM 662 NZ LYS A 42 -2.329 -16.779 -5.647 1.00 0.00 N1+ ATOM 0 H LYS A 42 -1.255 -11.277 -3.588 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.795 -11.478 -2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.091 -12.688 -4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.846 -13.538 -3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.578 -14.706 -2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.834 -13.838 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.442 -16.129 -4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.200 -14.870 -5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.729 -14.960 -4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.001 -16.271 -3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.341 -16.919 -5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.729 -17.687 -5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.879 -16.416 -6.451 1.00 0.00 H new ATOM 676 N LYS A 43 -1.468 -13.095 -0.741 1.00 0.00 N ATOM 677 CA LYS A 43 -1.215 -13.724 0.549 1.00 0.00 C ATOM 678 C LYS A 43 -1.142 -12.690 1.668 1.00 0.00 C ATOM 679 O LYS A 43 -1.621 -12.934 2.774 1.00 0.00 O ATOM 680 CB LYS A 43 0.072 -14.555 0.511 1.00 0.00 C ATOM 681 CG LYS A 43 1.327 -13.753 0.198 1.00 0.00 C ATOM 682 CD LYS A 43 2.558 -14.644 0.160 1.00 0.00 C ATOM 683 CE LYS A 43 2.433 -15.706 -0.918 1.00 0.00 C ATOM 684 NZ LYS A 43 3.560 -16.673 -0.886 1.00 0.00 N1+ ATOM 0 H LYS A 43 -0.673 -13.092 -1.379 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.053 -14.390 0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.201 -15.048 1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.039 -15.341 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.210 -13.250 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.461 -12.976 0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.444 -14.037 -0.025 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.695 -15.121 1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.493 -16.242 -0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.396 -15.226 -1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.433 -17.379 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.456 -16.167 -1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.581 -17.151 0.037 1.00 0.00 H new ATOM 698 N CYS A 44 -0.567 -11.531 1.374 1.00 0.00 N ATOM 699 CA CYS A 44 -0.386 -10.500 2.386 1.00 0.00 C ATOM 700 C CYS A 44 -1.721 -9.903 2.817 1.00 0.00 C ATOM 701 O CYS A 44 -1.935 -9.644 4.000 1.00 0.00 O ATOM 702 CB CYS A 44 0.545 -9.405 1.869 1.00 0.00 C ATOM 703 SG CYS A 44 2.210 -9.993 1.473 1.00 0.00 S ATOM 0 H CYS A 44 -0.220 -11.283 0.448 1.00 0.00 H new ATOM 0 HA CYS A 44 0.069 -10.966 3.260 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.106 -8.958 0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.616 -8.617 2.619 1.00 0.00 H new ATOM 0 HG CYS A 44 2.211 -10.529 0.289 1.00 0.00 H new ATOM 709 N SER A 45 -2.624 -9.702 1.864 1.00 0.00 N ATOM 710 CA SER A 45 -3.925 -9.128 2.170 1.00 0.00 C ATOM 711 C SER A 45 -4.720 -10.053 3.086 1.00 0.00 C ATOM 712 O SER A 45 -5.245 -9.620 4.113 1.00 0.00 O ATOM 713 CB SER A 45 -4.704 -8.837 0.885 1.00 0.00 C ATOM 714 OG SER A 45 -4.790 -9.988 0.067 1.00 0.00 O ATOM 0 H SER A 45 -2.479 -9.927 0.880 1.00 0.00 H new ATOM 0 HA SER A 45 -3.767 -8.185 2.693 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.706 -8.490 1.135 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.216 -8.032 0.335 1.00 0.00 H new ATOM 0 HG SER A 45 -3.953 -10.100 -0.430 1.00 0.00 H new ATOM 720 N GLU A 46 -4.783 -11.332 2.725 1.00 0.00 N ATOM 721 CA GLU A 46 -5.506 -12.319 3.517 1.00 0.00 C ATOM 722 C GLU A 46 -4.847 -12.500 4.880 1.00 0.00 C ATOM 723 O GLU A 46 -5.532 -12.672 5.890 1.00 0.00 O ATOM 724 CB GLU A 46 -5.573 -13.653 2.773 1.00 0.00 C ATOM 725 CG GLU A 46 -6.167 -13.527 1.382 1.00 0.00 C ATOM 726 CD GLU A 46 -6.419 -14.868 0.731 1.00 0.00 C ATOM 727 OE1 GLU A 46 -5.452 -15.522 0.287 1.00 0.00 O ATOM 728 OE2 GLU A 46 -7.596 -15.275 0.652 1.00 0.00 O1- ATOM 0 H GLU A 46 -4.340 -11.708 1.887 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.523 -11.958 3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.569 -14.071 2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.168 -14.357 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.105 -12.974 1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.492 -12.944 0.755 1.00 0.00 H new ATOM 735 N ARG A 47 -3.519 -12.449 4.906 1.00 0.00 N ATOM 736 CA ARG A 47 -2.782 -12.537 6.161 1.00 0.00 C ATOM 737 C ARG A 47 -3.128 -11.363 7.063 1.00 0.00 C ATOM 738 O ARG A 47 -3.410 -11.545 8.240 1.00 0.00 O ATOM 739 CB ARG A 47 -1.273 -12.561 5.923 1.00 0.00 C ATOM 740 CG ARG A 47 -0.473 -12.639 7.213 1.00 0.00 C ATOM 741 CD ARG A 47 1.020 -12.571 6.960 1.00 0.00 C ATOM 742 NE ARG A 47 1.778 -12.668 8.203 1.00 0.00 N ATOM 743 CZ ARG A 47 3.053 -12.313 8.326 1.00 0.00 C ATOM 744 NH1 ARG A 47 3.715 -11.823 7.287 1.00 0.00 N1+ ATOM 745 NH2 ARG A 47 3.672 -12.454 9.489 1.00 0.00 N ATOM 0 H ARG A 47 -2.934 -12.348 4.077 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.073 -13.470 6.644 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.023 -13.415 5.294 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.982 -11.665 5.374 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.767 -11.822 7.872 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.711 -13.568 7.732 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.314 -13.379 6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.263 -11.635 6.457 1.00 0.00 H new ATOM 0 HE ARG A 47 1.300 -13.030 9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.246 -11.717 6.387 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.693 -11.552 7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.170 -12.835 10.291 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.650 -12.181 9.582 1.00 0.00 H new ATOM 759 N TRP A 48 -3.120 -10.161 6.493 1.00 0.00 N ATOM 760 CA TRP A 48 -3.429 -8.950 7.245 1.00 0.00 C ATOM 761 C TRP A 48 -4.798 -9.048 7.912 1.00 0.00 C ATOM 762 O TRP A 48 -4.959 -8.680 9.079 1.00 0.00 O ATOM 763 CB TRP A 48 -3.380 -7.714 6.335 1.00 0.00 C ATOM 764 CG TRP A 48 -3.892 -6.479 7.008 1.00 0.00 C ATOM 765 CD1 TRP A 48 -5.155 -5.964 6.920 1.00 0.00 C ATOM 766 CD2 TRP A 48 -3.167 -5.614 7.890 1.00 0.00 C ATOM 767 NE1 TRP A 48 -5.260 -4.837 7.697 1.00 0.00 N ATOM 768 CE2 TRP A 48 -4.054 -4.603 8.301 1.00 0.00 C ATOM 769 CE3 TRP A 48 -1.856 -5.597 8.371 1.00 0.00 C ATOM 770 CZ2 TRP A 48 -3.675 -3.592 9.176 1.00 0.00 C ATOM 771 CZ3 TRP A 48 -1.478 -4.587 9.236 1.00 0.00 C ATOM 772 CH2 TRP A 48 -2.386 -3.600 9.634 1.00 0.00 C ATOM 0 H TRP A 48 -2.902 -10.000 5.510 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.672 -8.846 8.022 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.353 -7.547 6.012 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.969 -7.905 5.438 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.954 -6.383 6.326 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.099 -4.267 7.806 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.151 -6.359 8.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.373 -2.827 9.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.465 -4.560 9.611 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.063 -2.828 10.317 1.00 0.00 H new ATOM 783 N LYS A 49 -5.779 -9.548 7.169 1.00 0.00 N ATOM 784 CA LYS A 49 -7.147 -9.648 7.669 1.00 0.00 C ATOM 785 C LYS A 49 -7.235 -10.654 8.811 1.00 0.00 C ATOM 786 O LYS A 49 -8.077 -10.530 9.699 1.00 0.00 O ATOM 787 CB LYS A 49 -8.098 -10.067 6.547 1.00 0.00 C ATOM 788 CG LYS A 49 -8.010 -9.196 5.306 1.00 0.00 C ATOM 789 CD LYS A 49 -9.023 -9.625 4.258 1.00 0.00 C ATOM 790 CE LYS A 49 -8.803 -8.901 2.941 1.00 0.00 C ATOM 791 NZ LYS A 49 -9.818 -9.280 1.924 1.00 0.00 N1+ ATOM 0 H LYS A 49 -5.653 -9.891 6.217 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.439 -8.666 8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.884 -11.099 6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.121 -10.043 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.183 -8.154 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.005 -9.254 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.950 -10.701 4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.031 -9.424 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.841 -7.825 3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.807 -9.130 2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.633 -8.764 1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.765 -10.303 1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.767 -9.038 2.274 1.00 0.00 H new ATOM 805 N THR A 50 -6.349 -11.637 8.788 1.00 0.00 N ATOM 806 CA THR A 50 -6.366 -12.711 9.765 1.00 0.00 C ATOM 807 C THR A 50 -5.206 -12.578 10.749 1.00 0.00 C ATOM 808 O THR A 50 -4.850 -13.534 11.437 1.00 0.00 O ATOM 809 CB THR A 50 -6.282 -14.080 9.065 1.00 0.00 C ATOM 810 OG1 THR A 50 -5.106 -14.142 8.245 1.00 0.00 O ATOM 811 CG2 THR A 50 -7.510 -14.333 8.204 1.00 0.00 C ATOM 0 H THR A 50 -5.603 -11.712 8.096 1.00 0.00 H new ATOM 0 HA THR A 50 -7.305 -12.640 10.314 1.00 0.00 H new ATOM 0 HB THR A 50 -6.234 -14.848 9.837 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.254 -13.631 7.422 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.422 -15.307 7.722 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.403 -14.316 8.829 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.586 -13.557 7.442 1.00 0.00 H new ATOM 819 N MET A 51 -4.624 -11.388 10.825 1.00 0.00 N ATOM 820 CA MET A 51 -3.432 -11.184 11.633 1.00 0.00 C ATOM 821 C MET A 51 -3.781 -10.551 12.972 1.00 0.00 C ATOM 822 O MET A 51 -4.738 -9.784 13.074 1.00 0.00 O ATOM 823 CB MET A 51 -2.423 -10.319 10.875 1.00 0.00 C ATOM 824 CG MET A 51 -1.019 -10.377 11.446 1.00 0.00 C ATOM 825 SD MET A 51 0.182 -9.501 10.428 1.00 0.00 S ATOM 826 CE MET A 51 -0.436 -7.827 10.537 1.00 0.00 C ATOM 0 H MET A 51 -4.957 -10.555 10.340 1.00 0.00 H new ATOM 0 HA MET A 51 -2.982 -12.157 11.831 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.395 -10.638 9.833 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.766 -9.285 10.883 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.021 -9.949 12.448 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.714 -11.419 11.545 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.205 -7.164 9.956 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.452 -7.788 10.143 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.439 -7.507 11.579 1.00 0.00 H new ATOM 836 N SER A 52 -3.002 -10.885 13.993 1.00 0.00 N ATOM 837 CA SER A 52 -3.225 -10.382 15.340 1.00 0.00 C ATOM 838 C SER A 52 -2.983 -8.870 15.414 1.00 0.00 C ATOM 839 O SER A 52 -2.133 -8.330 14.695 1.00 0.00 O ATOM 840 CB SER A 52 -2.296 -11.110 16.315 1.00 0.00 C ATOM 841 OG SER A 52 -2.388 -12.520 16.159 1.00 0.00 O ATOM 0 H SER A 52 -2.200 -11.510 13.910 1.00 0.00 H new ATOM 0 HA SER A 52 -4.264 -10.569 15.612 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.267 -10.790 16.149 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.553 -10.837 17.339 1.00 0.00 H new ATOM 0 HG SER A 52 -1.783 -12.959 16.793 1.00 0.00 H new ATOM 847 N ALA A 53 -3.732 -8.196 16.287 1.00 0.00 N ATOM 848 CA ALA A 53 -3.601 -6.754 16.479 1.00 0.00 C ATOM 849 C ALA A 53 -2.199 -6.384 16.950 1.00 0.00 C ATOM 850 O ALA A 53 -1.701 -5.302 16.642 1.00 0.00 O ATOM 851 CB ALA A 53 -4.643 -6.253 17.471 1.00 0.00 C ATOM 0 H ALA A 53 -4.441 -8.632 16.876 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.770 -6.271 15.517 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.532 -5.177 17.603 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.641 -6.471 17.091 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.503 -6.752 18.430 1.00 0.00 H new ATOM 857 N LYS A 54 -1.570 -7.290 17.692 1.00 0.00 N ATOM 858 CA LYS A 54 -0.192 -7.100 18.146 1.00 0.00 C ATOM 859 C LYS A 54 0.737 -6.854 16.963 1.00 0.00 C ATOM 860 O LYS A 54 1.559 -5.934 16.975 1.00 0.00 O ATOM 861 CB LYS A 54 0.292 -8.332 18.908 1.00 0.00 C ATOM 862 CG LYS A 54 -0.426 -8.573 20.223 1.00 0.00 C ATOM 863 CD LYS A 54 -0.007 -9.897 20.838 1.00 0.00 C ATOM 864 CE LYS A 54 -0.637 -10.113 22.201 1.00 0.00 C ATOM 865 NZ LYS A 54 -0.363 -11.476 22.722 1.00 0.00 N1+ ATOM 0 H LYS A 54 -1.993 -8.168 17.994 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.175 -6.231 18.804 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.168 -9.210 18.273 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.359 -8.228 19.104 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.206 -7.761 20.916 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.504 -8.569 20.059 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.292 -10.712 20.173 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.079 -9.926 20.931 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.253 -9.371 22.901 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.714 -9.959 22.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.809 -11.587 23.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.752 -12.183 22.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.664 -11.614 22.811 1.00 0.00 H new ATOM 879 N GLU A 55 0.593 -7.683 15.939 1.00 0.00 N ATOM 880 CA GLU A 55 1.441 -7.602 14.763 1.00 0.00 C ATOM 881 C GLU A 55 1.050 -6.395 13.920 1.00 0.00 C ATOM 882 O GLU A 55 1.906 -5.711 13.364 1.00 0.00 O ATOM 883 CB GLU A 55 1.337 -8.902 13.959 1.00 0.00 C ATOM 884 CG GLU A 55 1.587 -10.145 14.805 1.00 0.00 C ATOM 885 CD GLU A 55 1.550 -11.434 14.010 1.00 0.00 C ATOM 886 OE1 GLU A 55 0.444 -11.948 13.751 1.00 0.00 O ATOM 887 OE2 GLU A 55 2.634 -11.959 13.674 1.00 0.00 O1- ATOM 0 H GLU A 55 -0.108 -8.423 15.901 1.00 0.00 H new ATOM 0 HA GLU A 55 2.479 -7.474 15.070 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.346 -8.967 13.511 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.056 -8.875 13.140 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.559 -10.055 15.291 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.838 -10.193 15.596 1.00 0.00 H new ATOM 894 N LYS A 56 -0.252 -6.122 13.857 1.00 0.00 N ATOM 895 CA LYS A 56 -0.759 -4.931 13.180 1.00 0.00 C ATOM 896 C LYS A 56 -0.144 -3.676 13.784 1.00 0.00 C ATOM 897 O LYS A 56 0.244 -2.752 13.064 1.00 0.00 O ATOM 898 CB LYS A 56 -2.282 -4.861 13.296 1.00 0.00 C ATOM 899 CG LYS A 56 -3.016 -5.917 12.485 1.00 0.00 C ATOM 900 CD LYS A 56 -4.495 -5.939 12.829 1.00 0.00 C ATOM 901 CE LYS A 56 -5.283 -6.846 11.899 1.00 0.00 C ATOM 902 NZ LYS A 56 -5.459 -6.249 10.554 1.00 0.00 N1+ ATOM 0 H LYS A 56 -0.976 -6.711 14.268 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.483 -4.993 12.127 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.561 -4.965 14.345 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.615 -3.874 12.974 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.890 -5.716 11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.580 -6.897 12.678 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.623 -6.276 13.858 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.895 -4.927 12.773 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.769 -7.803 11.806 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.261 -7.050 12.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.365 -6.990 9.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.403 -5.817 10.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.733 -5.520 10.400 1.00 0.00 H new ATOM 916 N GLY A 57 -0.052 -3.660 15.111 1.00 0.00 N ATOM 917 CA GLY A 57 0.526 -2.531 15.810 1.00 0.00 C ATOM 918 C GLY A 57 1.956 -2.264 15.398 1.00 0.00 C ATOM 919 O GLY A 57 2.364 -1.112 15.286 1.00 0.00 O ATOM 0 H GLY A 57 -0.371 -4.416 15.716 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.076 -1.643 15.618 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.489 -2.715 16.884 1.00 0.00 H new ATOM 923 N LYS A 58 2.715 -3.327 15.156 1.00 0.00 N ATOM 924 CA LYS A 58 4.106 -3.191 14.738 1.00 0.00 C ATOM 925 C LYS A 58 4.206 -2.508 13.374 1.00 0.00 C ATOM 926 O LYS A 58 4.998 -1.585 13.190 1.00 0.00 O ATOM 927 CB LYS A 58 4.798 -4.557 14.691 1.00 0.00 C ATOM 928 CG LYS A 58 6.213 -4.488 14.138 1.00 0.00 C ATOM 929 CD LYS A 58 6.888 -5.848 14.122 1.00 0.00 C ATOM 930 CE LYS A 58 8.230 -5.774 13.415 1.00 0.00 C ATOM 931 NZ LYS A 58 8.964 -7.064 13.462 1.00 0.00 N1+ ATOM 0 H LYS A 58 2.392 -4.291 15.242 1.00 0.00 H new ATOM 0 HA LYS A 58 4.612 -2.568 15.475 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.827 -4.978 15.696 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.207 -5.237 14.077 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.187 -4.085 13.126 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.804 -3.798 14.740 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.029 -6.202 15.143 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.246 -6.572 13.620 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.075 -5.484 12.376 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.838 -4.995 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.873 -6.964 12.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.137 -7.329 14.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.397 -7.803 12.999 1.00 0.00 H new ATOM 945 N PHE A 59 3.400 -2.956 12.418 1.00 0.00 N ATOM 946 CA PHE A 59 3.437 -2.388 11.076 1.00 0.00 C ATOM 947 C PHE A 59 2.903 -0.959 11.077 1.00 0.00 C ATOM 948 O PHE A 59 3.323 -0.128 10.271 1.00 0.00 O ATOM 949 CB PHE A 59 2.658 -3.267 10.098 1.00 0.00 C ATOM 950 CG PHE A 59 3.244 -4.644 9.968 1.00 0.00 C ATOM 951 CD1 PHE A 59 4.480 -4.828 9.369 1.00 0.00 C ATOM 952 CD2 PHE A 59 2.573 -5.750 10.457 1.00 0.00 C ATOM 953 CE1 PHE A 59 5.034 -6.088 9.261 1.00 0.00 C ATOM 954 CE2 PHE A 59 3.122 -7.014 10.353 1.00 0.00 C ATOM 955 CZ PHE A 59 4.354 -7.182 9.754 1.00 0.00 C ATOM 0 H PHE A 59 2.719 -3.704 12.545 1.00 0.00 H new ATOM 0 HA PHE A 59 4.475 -2.355 10.746 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.623 -3.346 10.431 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.642 -2.789 9.119 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.017 -3.975 8.982 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.608 -5.624 10.926 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.998 -6.217 8.791 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.588 -7.869 10.740 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.785 -8.169 9.671 1.00 0.00 H new ATOM 965 N GLU A 60 1.991 -0.676 11.997 1.00 0.00 N ATOM 966 CA GLU A 60 1.512 0.680 12.205 1.00 0.00 C ATOM 967 C GLU A 60 2.627 1.539 12.792 1.00 0.00 C ATOM 968 O GLU A 60 2.860 2.664 12.353 1.00 0.00 O ATOM 969 CB GLU A 60 0.301 0.684 13.141 1.00 0.00 C ATOM 970 CG GLU A 60 -0.203 2.079 13.471 1.00 0.00 C ATOM 971 CD GLU A 60 -1.346 2.074 14.459 1.00 0.00 C ATOM 972 OE1 GLU A 60 -1.084 2.110 15.678 1.00 0.00 O ATOM 973 OE2 GLU A 60 -2.512 2.039 14.021 1.00 0.00 O1- ATOM 0 H GLU A 60 1.568 -1.371 12.612 1.00 0.00 H new ATOM 0 HA GLU A 60 1.208 1.094 11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.506 0.114 12.681 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.565 0.173 14.067 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.618 2.670 13.877 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.526 2.570 12.553 1.00 0.00 H new ATOM 980 N ASP A 61 3.320 0.982 13.777 1.00 0.00 N ATOM 981 CA ASP A 61 4.408 1.674 14.460 1.00 0.00 C ATOM 982 C ASP A 61 5.502 2.072 13.477 1.00 0.00 C ATOM 983 O ASP A 61 6.031 3.179 13.541 1.00 0.00 O ATOM 984 CB ASP A 61 4.990 0.786 15.564 1.00 0.00 C ATOM 985 CG ASP A 61 6.078 1.474 16.363 1.00 0.00 C ATOM 986 OD1 ASP A 61 5.742 2.299 17.242 1.00 0.00 O1- ATOM 987 OD2 ASP A 61 7.269 1.182 16.133 1.00 0.00 O ATOM 0 H ASP A 61 3.145 0.039 14.125 1.00 0.00 H new ATOM 0 HA ASP A 61 4.005 2.582 14.909 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.189 0.481 16.238 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.394 -0.123 15.117 1.00 0.00 H new ATOM 992 N MET A 62 5.815 1.177 12.549 1.00 0.00 N ATOM 993 CA MET A 62 6.850 1.443 11.557 1.00 0.00 C ATOM 994 C MET A 62 6.376 2.481 10.541 1.00 0.00 C ATOM 995 O MET A 62 7.181 3.242 10.006 1.00 0.00 O ATOM 996 CB MET A 62 7.275 0.156 10.847 1.00 0.00 C ATOM 997 CG MET A 62 7.873 -0.883 11.787 1.00 0.00 C ATOM 998 SD MET A 62 8.624 -2.277 10.920 1.00 0.00 S ATOM 999 CE MET A 62 7.258 -2.829 9.904 1.00 0.00 C ATOM 0 H MET A 62 5.369 0.264 12.462 1.00 0.00 H new ATOM 0 HA MET A 62 7.717 1.845 12.081 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.410 -0.275 10.343 1.00 0.00 H new ATOM 0 HB3 MET A 62 8.005 0.400 10.075 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.626 -0.406 12.414 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.093 -1.254 12.452 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.529 -3.759 9.404 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.382 -2.996 10.531 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.030 -2.069 9.157 1.00 0.00 H new ATOM 1009 N ALA A 63 5.072 2.515 10.286 1.00 0.00 N ATOM 1010 CA ALA A 63 4.493 3.532 9.412 1.00 0.00 C ATOM 1011 C ALA A 63 4.521 4.891 10.101 1.00 0.00 C ATOM 1012 O ALA A 63 4.713 5.927 9.464 1.00 0.00 O ATOM 1013 CB ALA A 63 3.069 3.163 9.023 1.00 0.00 C ATOM 0 H ALA A 63 4.397 1.853 10.670 1.00 0.00 H new ATOM 0 HA ALA A 63 5.090 3.586 8.502 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.658 3.935 8.372 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.071 2.208 8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.456 3.081 9.921 1.00 0.00 H new ATOM 1019 N LYS A 64 4.327 4.873 11.412 1.00 0.00 N ATOM 1020 CA LYS A 64 4.435 6.073 12.227 1.00 0.00 C ATOM 1021 C LYS A 64 5.892 6.521 12.315 1.00 0.00 C ATOM 1022 O LYS A 64 6.193 7.717 12.332 1.00 0.00 O ATOM 1023 CB LYS A 64 3.866 5.806 13.622 1.00 0.00 C ATOM 1024 CG LYS A 64 2.364 5.562 13.625 1.00 0.00 C ATOM 1025 CD LYS A 64 1.907 4.794 14.859 1.00 0.00 C ATOM 1026 CE LYS A 64 2.293 5.500 16.147 1.00 0.00 C ATOM 1027 NZ LYS A 64 1.777 4.786 17.346 1.00 0.00 N1+ ATOM 0 H LYS A 64 4.092 4.031 11.938 1.00 0.00 H new ATOM 0 HA LYS A 64 3.859 6.874 11.763 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.368 4.939 14.051 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.090 6.656 14.267 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.842 6.518 13.581 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.086 5.006 12.730 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.825 4.667 14.826 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.346 3.796 14.848 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.379 5.576 16.208 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.903 6.518 16.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.061 5.299 18.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.739 4.736 17.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.169 3.823 17.372 1.00 0.00 H new ATOM 1041 N ALA A 65 6.794 5.549 12.363 1.00 0.00 N ATOM 1042 CA ALA A 65 8.221 5.826 12.323 1.00 0.00 C ATOM 1043 C ALA A 65 8.592 6.466 10.993 1.00 0.00 C ATOM 1044 O ALA A 65 9.465 7.337 10.934 1.00 0.00 O ATOM 1045 CB ALA A 65 9.014 4.549 12.541 1.00 0.00 C ATOM 0 H ALA A 65 6.560 4.559 12.430 1.00 0.00 H new ATOM 0 HA ALA A 65 8.467 6.522 13.125 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.080 4.773 12.508 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.762 4.126 13.513 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.770 3.831 11.758 1.00 0.00 H new ATOM 1051 N ASP A 66 7.921 6.027 9.928 1.00 0.00 N ATOM 1052 CA ASP A 66 8.083 6.636 8.613 1.00 0.00 C ATOM 1053 C ASP A 66 7.737 8.109 8.670 1.00 0.00 C ATOM 1054 O ASP A 66 8.467 8.930 8.143 1.00 0.00 O ATOM 1055 CB ASP A 66 7.202 5.958 7.564 1.00 0.00 C ATOM 1056 CG ASP A 66 7.171 6.741 6.260 1.00 0.00 C ATOM 1057 OD1 ASP A 66 8.171 6.693 5.515 1.00 0.00 O ATOM 1058 OD2 ASP A 66 6.150 7.412 5.983 1.00 0.00 O1- ATOM 0 H ASP A 66 7.260 5.251 9.953 1.00 0.00 H new ATOM 0 HA ASP A 66 9.126 6.509 8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.573 4.951 7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.188 5.857 7.951 1.00 0.00 H new ATOM 1063 N LYS A 67 6.628 8.428 9.329 1.00 0.00 N ATOM 1064 CA LYS A 67 6.164 9.808 9.458 1.00 0.00 C ATOM 1065 C LYS A 67 7.310 10.734 9.861 1.00 0.00 C ATOM 1066 O LYS A 67 7.568 11.739 9.201 1.00 0.00 O ATOM 1067 CB LYS A 67 5.031 9.880 10.488 1.00 0.00 C ATOM 1068 CG LYS A 67 4.436 11.267 10.673 1.00 0.00 C ATOM 1069 CD LYS A 67 3.868 11.813 9.375 1.00 0.00 C ATOM 1070 CE LYS A 67 3.022 13.053 9.616 1.00 0.00 C ATOM 1071 NZ LYS A 67 3.717 14.060 10.463 1.00 0.00 N1+ ATOM 0 H LYS A 67 6.027 7.743 9.787 1.00 0.00 H new ATOM 0 HA LYS A 67 5.789 10.140 8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.238 9.195 10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.407 9.528 11.449 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.649 11.228 11.426 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.203 11.945 11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.683 12.054 8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.263 11.047 8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.764 13.505 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.087 12.764 10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.186 14.954 10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.775 13.711 11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.677 14.220 10.095 1.00 0.00 H new ATOM 1085 N ALA A 68 8.019 10.366 10.918 1.00 0.00 N ATOM 1086 CA ALA A 68 9.129 11.177 11.401 1.00 0.00 C ATOM 1087 C ALA A 68 10.365 11.026 10.517 1.00 0.00 C ATOM 1088 O ALA A 68 10.998 12.020 10.159 1.00 0.00 O ATOM 1089 CB ALA A 68 9.464 10.819 12.839 1.00 0.00 C ATOM 0 H ALA A 68 7.848 9.516 11.456 1.00 0.00 H new ATOM 0 HA ALA A 68 8.815 12.220 11.359 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.295 11.435 13.183 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.594 10.998 13.471 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.744 9.767 12.896 1.00 0.00 H new ATOM 1095 N ARG A 69 10.703 9.786 10.154 1.00 0.00 N ATOM 1096 CA ARG A 69 11.902 9.519 9.358 1.00 0.00 C ATOM 1097 C ARG A 69 11.816 10.236 8.021 1.00 0.00 C ATOM 1098 O ARG A 69 12.776 10.858 7.576 1.00 0.00 O ATOM 1099 CB ARG A 69 12.076 8.017 9.113 1.00 0.00 C ATOM 1100 CG ARG A 69 13.410 7.656 8.471 1.00 0.00 C ATOM 1101 CD ARG A 69 13.242 6.620 7.370 1.00 0.00 C ATOM 1102 NE ARG A 69 12.741 7.213 6.126 1.00 0.00 N ATOM 1103 CZ ARG A 69 11.501 7.054 5.663 1.00 0.00 C ATOM 1104 NH1 ARG A 69 10.624 6.318 6.335 1.00 0.00 N1+ ATOM 1105 NH2 ARG A 69 11.139 7.624 4.522 1.00 0.00 N ATOM 0 H ARG A 69 10.165 8.954 10.398 1.00 0.00 H new ATOM 0 HA ARG A 69 12.762 9.887 9.918 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.984 7.489 10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.267 7.665 8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.870 8.554 8.059 1.00 0.00 H new ATOM 0 HG3 ARG A 69 14.088 7.271 9.233 1.00 0.00 H new ATOM 0 HD2 ARG A 69 14.200 6.135 7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.553 5.845 7.705 1.00 0.00 H new ATOM 0 HE ARG A 69 13.384 7.785 5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.898 5.871 7.210 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.677 6.200 5.976 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.810 8.185 3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.190 7.501 4.169 1.00 0.00 H new ATOM 1119 N TYR A 70 10.647 10.146 7.405 1.00 0.00 N ATOM 1120 CA TYR A 70 10.381 10.765 6.127 1.00 0.00 C ATOM 1121 C TYR A 70 10.528 12.275 6.221 1.00 0.00 C ATOM 1122 O TYR A 70 11.034 12.913 5.305 1.00 0.00 O ATOM 1123 CB TYR A 70 8.967 10.391 5.676 1.00 0.00 C ATOM 1124 CG TYR A 70 8.546 10.989 4.363 1.00 0.00 C ATOM 1125 CD1 TYR A 70 8.798 10.333 3.171 1.00 0.00 C ATOM 1126 CD2 TYR A 70 7.877 12.199 4.321 1.00 0.00 C ATOM 1127 CE1 TYR A 70 8.396 10.869 1.969 1.00 0.00 C ATOM 1128 CE2 TYR A 70 7.474 12.747 3.126 1.00 0.00 C ATOM 1129 CZ TYR A 70 7.733 12.079 1.948 1.00 0.00 C ATOM 1130 OH TYR A 70 7.322 12.615 0.748 1.00 0.00 O ATOM 0 H TYR A 70 9.852 9.634 7.787 1.00 0.00 H new ATOM 0 HA TYR A 70 11.103 10.405 5.395 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.899 9.306 5.603 1.00 0.00 H new ATOM 0 HB3 TYR A 70 8.261 10.704 6.445 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.318 9.386 3.184 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.668 12.722 5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.598 10.345 1.047 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.957 13.695 3.110 1.00 0.00 H new ATOM 0 HH TYR A 70 6.870 13.469 0.909 1.00 0.00 H new ATOM 1140 N GLU A 71 10.096 12.841 7.340 1.00 0.00 N ATOM 1141 CA GLU A 71 10.179 14.271 7.542 1.00 0.00 C ATOM 1142 C GLU A 71 11.624 14.720 7.731 1.00 0.00 C ATOM 1143 O GLU A 71 12.019 15.773 7.231 1.00 0.00 O ATOM 1144 CB GLU A 71 9.314 14.672 8.726 1.00 0.00 C ATOM 1145 CG GLU A 71 7.842 14.770 8.370 1.00 0.00 C ATOM 1146 CD GLU A 71 6.997 15.234 9.531 1.00 0.00 C ATOM 1147 OE1 GLU A 71 7.090 16.423 9.899 1.00 0.00 O ATOM 1148 OE2 GLU A 71 6.235 14.417 10.082 1.00 0.00 O1- ATOM 0 H GLU A 71 9.685 12.326 8.119 1.00 0.00 H new ATOM 0 HA GLU A 71 9.804 14.774 6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.442 13.944 9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.655 15.633 9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.718 15.461 7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.487 13.796 8.033 1.00 0.00 H new ATOM 1155 N ARG A 72 12.417 13.913 8.433 1.00 0.00 N ATOM 1156 CA ARG A 72 13.849 14.180 8.556 1.00 0.00 C ATOM 1157 C ARG A 72 14.494 14.055 7.181 1.00 0.00 C ATOM 1158 O ARG A 72 15.349 14.852 6.795 1.00 0.00 O ATOM 1159 CB ARG A 72 14.517 13.192 9.521 1.00 0.00 C ATOM 1160 CG ARG A 72 13.784 13.014 10.838 1.00 0.00 C ATOM 1161 CD ARG A 72 14.541 12.083 11.769 1.00 0.00 C ATOM 1162 NE ARG A 72 15.688 12.743 12.382 1.00 0.00 N ATOM 1163 CZ ARG A 72 16.918 12.230 12.429 1.00 0.00 C ATOM 1164 NH1 ARG A 72 17.196 11.082 11.816 1.00 0.00 N1+ ATOM 1165 NH2 ARG A 72 17.879 12.886 13.060 1.00 0.00 N ATOM 0 H ARG A 72 12.097 13.077 8.921 1.00 0.00 H new ATOM 0 HA ARG A 72 13.983 15.187 8.952 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.599 12.222 9.030 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.532 13.533 9.726 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.653 13.984 11.318 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.788 12.614 10.651 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.869 11.724 12.549 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.879 11.209 11.212 1.00 0.00 H new ATOM 0 HE ARG A 72 15.539 13.660 12.804 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.465 10.587 11.305 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.140 10.697 11.857 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.677 13.780 13.508 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.821 12.497 13.099 1.00 0.00 H new ATOM 1179 N GLU A 73 14.043 13.048 6.449 1.00 0.00 N ATOM 1180 CA GLU A 73 14.524 12.756 5.108 1.00 0.00 C ATOM 1181 C GLU A 73 14.193 13.912 4.161 1.00 0.00 C ATOM 1182 O GLU A 73 15.012 14.305 3.326 1.00 0.00 O ATOM 1183 CB GLU A 73 13.868 11.452 4.649 1.00 0.00 C ATOM 1184 CG GLU A 73 14.591 10.713 3.542 1.00 0.00 C ATOM 1185 CD GLU A 73 14.212 9.244 3.525 1.00 0.00 C ATOM 1186 OE1 GLU A 73 13.055 8.923 3.177 1.00 0.00 O ATOM 1187 OE2 GLU A 73 15.058 8.404 3.891 1.00 0.00 O1- ATOM 0 H GLU A 73 13.323 12.402 6.774 1.00 0.00 H new ATOM 0 HA GLU A 73 15.608 12.641 5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.780 10.788 5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.855 11.674 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.348 11.165 2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.668 10.812 3.678 1.00 0.00 H new ATOM 1194 N MET A 74 12.998 14.476 4.325 1.00 0.00 N ATOM 1195 CA MET A 74 12.558 15.622 3.533 1.00 0.00 C ATOM 1196 C MET A 74 13.437 16.841 3.778 1.00 0.00 C ATOM 1197 O MET A 74 13.552 17.712 2.918 1.00 0.00 O ATOM 1198 CB MET A 74 11.107 15.989 3.859 1.00 0.00 C ATOM 1199 CG MET A 74 10.057 15.029 3.313 1.00 0.00 C ATOM 1200 SD MET A 74 9.823 15.148 1.525 1.00 0.00 S ATOM 1201 CE MET A 74 11.122 14.081 0.915 1.00 0.00 C ATOM 0 H MET A 74 12.311 14.154 5.007 1.00 0.00 H new ATOM 0 HA MET A 74 12.637 15.330 2.486 1.00 0.00 H new ATOM 0 HB2 MET A 74 10.998 16.044 4.942 1.00 0.00 H new ATOM 0 HB3 MET A 74 10.904 16.986 3.467 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.344 14.008 3.566 1.00 0.00 H new ATOM 0 HG3 MET A 74 9.106 15.224 3.809 1.00 0.00 H new ATOM 0 HE1 MET A 74 10.750 13.500 0.071 1.00 0.00 H new ATOM 0 HE2 MET A 74 11.969 14.687 0.593 1.00 0.00 H new ATOM 0 HE3 MET A 74 11.440 13.405 1.709 1.00 0.00 H new ATOM 1211 N LYS A 75 14.055 16.905 4.949 1.00 0.00 N ATOM 1212 CA LYS A 75 14.916 18.032 5.289 1.00 0.00 C ATOM 1213 C LYS A 75 16.220 17.978 4.498 1.00 0.00 C ATOM 1214 O LYS A 75 16.964 18.958 4.445 1.00 0.00 O ATOM 1215 CB LYS A 75 15.219 18.052 6.791 1.00 0.00 C ATOM 1216 CG LYS A 75 13.979 18.134 7.670 1.00 0.00 C ATOM 1217 CD LYS A 75 13.158 19.379 7.374 1.00 0.00 C ATOM 1218 CE LYS A 75 11.931 19.468 8.271 1.00 0.00 C ATOM 1219 NZ LYS A 75 11.009 18.318 8.075 1.00 0.00 N1+ ATOM 0 H LYS A 75 13.978 16.195 5.677 1.00 0.00 H new ATOM 0 HA LYS A 75 14.385 18.947 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.778 17.153 7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.864 18.903 7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.364 17.248 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.276 18.136 8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.777 20.265 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.846 19.370 6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.247 19.505 9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.399 20.397 8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.080 18.667 7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.399 17.679 7.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.901 17.803 8.972 1.00 0.00 H new ATOM 1233 N THR A 76 16.496 16.831 3.887 1.00 0.00 N ATOM 1234 CA THR A 76 17.715 16.669 3.107 1.00 0.00 C ATOM 1235 C THR A 76 17.420 16.504 1.621 1.00 0.00 C ATOM 1236 O THR A 76 18.311 16.647 0.784 1.00 0.00 O ATOM 1237 CB THR A 76 18.542 15.463 3.584 1.00 0.00 C ATOM 1238 OG1 THR A 76 17.762 14.259 3.521 1.00 0.00 O ATOM 1239 CG2 THR A 76 19.034 15.670 5.004 1.00 0.00 C ATOM 0 H THR A 76 15.897 16.006 3.917 1.00 0.00 H new ATOM 0 HA THR A 76 18.291 17.582 3.258 1.00 0.00 H new ATOM 0 HB THR A 76 19.403 15.370 2.922 1.00 0.00 H new ATOM 0 HG1 THR A 76 16.834 14.482 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.616 14.803 5.317 1.00 0.00 H new ATOM 0 HG22 THR A 76 19.660 16.562 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 76 18.180 15.794 5.670 1.00 0.00 H new ATOM 1247 N TYR A 77 16.177 16.193 1.292 1.00 0.00 N ATOM 1248 CA TYR A 77 15.793 15.997 -0.092 1.00 0.00 C ATOM 1249 C TYR A 77 15.158 17.260 -0.656 1.00 0.00 C ATOM 1250 O TYR A 77 14.106 17.699 -0.194 1.00 0.00 O ATOM 1251 CB TYR A 77 14.832 14.813 -0.229 1.00 0.00 C ATOM 1252 CG TYR A 77 14.240 14.684 -1.620 1.00 0.00 C ATOM 1253 CD1 TYR A 77 15.006 14.245 -2.694 1.00 0.00 C ATOM 1254 CD2 TYR A 77 12.916 15.027 -1.859 1.00 0.00 C ATOM 1255 CE1 TYR A 77 14.466 14.156 -3.966 1.00 0.00 C ATOM 1256 CE2 TYR A 77 12.370 14.935 -3.122 1.00 0.00 C ATOM 1257 CZ TYR A 77 13.147 14.501 -4.173 1.00 0.00 C ATOM 1258 OH TYR A 77 12.603 14.433 -5.433 1.00 0.00 O ATOM 0 H TYR A 77 15.420 16.072 1.964 1.00 0.00 H new ATOM 0 HA TYR A 77 16.694 15.775 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 77 15.361 13.893 0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 77 14.024 14.923 0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 77 16.038 13.969 -2.534 1.00 0.00 H new ATOM 0 HD2 TYR A 77 12.302 15.372 -1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.075 13.818 -4.792 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.337 15.202 -3.286 1.00 0.00 H new ATOM 0 HH TYR A 77 12.572 13.498 -5.726 1.00 0.00 H new ATOM 1268 N ILE A 78 15.810 17.840 -1.648 1.00 0.00 N ATOM 1269 CA ILE A 78 15.299 19.031 -2.300 1.00 0.00 C ATOM 1270 C ILE A 78 14.884 18.694 -3.730 1.00 0.00 C ATOM 1271 O ILE A 78 15.730 18.379 -4.571 1.00 0.00 O ATOM 1272 CB ILE A 78 16.336 20.187 -2.312 1.00 0.00 C ATOM 1273 CG1 ILE A 78 16.712 20.624 -0.886 1.00 0.00 C ATOM 1274 CG2 ILE A 78 15.798 21.380 -3.093 1.00 0.00 C ATOM 1275 CD1 ILE A 78 17.705 19.712 -0.190 1.00 0.00 C ATOM 0 H ILE A 78 16.698 17.503 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 78 14.436 19.374 -1.729 1.00 0.00 H new ATOM 0 HB ILE A 78 17.235 19.813 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 78 17.128 21.631 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 78 15.804 20.678 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.538 22.180 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.592 21.079 -4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 78 14.879 21.735 -2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 78 17.913 20.095 0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.286 18.709 -0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.631 19.676 -0.765 1.00 0.00 H new ATOM 1287 N PRO A 79 13.570 18.731 -4.008 1.00 0.00 N ATOM 1288 CA PRO A 79 13.023 18.423 -5.333 1.00 0.00 C ATOM 1289 C PRO A 79 13.419 19.472 -6.370 1.00 0.00 C ATOM 1290 O PRO A 79 13.409 20.673 -6.084 1.00 0.00 O ATOM 1291 CB PRO A 79 11.499 18.433 -5.119 1.00 0.00 C ATOM 1292 CG PRO A 79 11.301 18.417 -3.638 1.00 0.00 C ATOM 1293 CD PRO A 79 12.512 19.079 -3.052 1.00 0.00 C ATOM 0 HA PRO A 79 13.399 17.474 -5.715 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.046 19.318 -5.565 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.032 17.566 -5.586 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.392 18.950 -3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 79 11.197 17.397 -3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.382 20.158 -2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.732 18.706 -2.052 1.00 0.00 H new ATOM 1301 N PRO A 80 13.777 19.032 -7.584 1.00 0.00 N ATOM 1302 CA PRO A 80 14.205 19.930 -8.657 1.00 0.00 C ATOM 1303 C PRO A 80 13.054 20.749 -9.242 1.00 0.00 C ATOM 1304 O PRO A 80 12.190 20.211 -9.936 1.00 0.00 O ATOM 1305 CB PRO A 80 14.774 18.975 -9.711 1.00 0.00 C ATOM 1306 CG PRO A 80 14.070 17.685 -9.478 1.00 0.00 C ATOM 1307 CD PRO A 80 13.796 17.617 -8.001 1.00 0.00 C ATOM 0 HA PRO A 80 14.918 20.673 -8.300 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.594 19.347 -10.720 1.00 0.00 H new ATOM 0 HB3 PRO A 80 15.853 18.862 -9.601 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.142 17.639 -10.048 1.00 0.00 H new ATOM 0 HG3 PRO A 80 14.683 16.843 -9.799 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.846 17.125 -7.792 1.00 0.00 H new ATOM 0 HD3 PRO A 80 14.568 17.055 -7.476 1.00 0.00 H new ATOM 1315 N LYS A 81 13.068 22.049 -8.946 1.00 0.00 N ATOM 1316 CA LYS A 81 12.094 23.017 -9.461 1.00 0.00 C ATOM 1317 C LYS A 81 10.660 22.735 -9.003 1.00 0.00 C ATOM 1318 O LYS A 81 10.140 21.629 -9.142 1.00 0.00 O ATOM 1319 CB LYS A 81 12.151 23.070 -10.989 1.00 0.00 C ATOM 1320 CG LYS A 81 11.338 24.209 -11.586 1.00 0.00 C ATOM 1321 CD LYS A 81 11.875 25.555 -11.135 1.00 0.00 C ATOM 1322 CE LYS A 81 10.994 26.701 -11.600 1.00 0.00 C ATOM 1323 NZ LYS A 81 11.567 28.020 -11.224 1.00 0.00 N1+ ATOM 0 H LYS A 81 13.767 22.468 -8.332 1.00 0.00 H new ATOM 0 HA LYS A 81 12.375 23.984 -9.045 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.190 23.172 -11.303 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.788 22.124 -11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.365 24.149 -12.674 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.294 24.111 -11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.947 25.571 -10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.884 25.692 -11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.873 26.652 -12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.001 26.597 -11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.939 28.779 -11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.659 28.076 -10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.504 28.129 -11.661 1.00 0.00 H new ATOM 1337 N GLY A 82 10.020 23.757 -8.459 1.00 0.00 N ATOM 1338 CA GLY A 82 8.623 23.649 -8.102 1.00 0.00 C ATOM 1339 C GLY A 82 7.765 24.461 -9.046 1.00 0.00 C ATOM 1340 O GLY A 82 7.370 23.981 -10.107 1.00 0.00 O ATOM 0 H GLY A 82 10.445 24.662 -8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.315 22.604 -8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.476 23.996 -7.079 1.00 0.00 H new ATOM 1344 N GLU A 83 7.503 25.700 -8.671 1.00 0.00 N ATOM 1345 CA GLU A 83 6.768 26.623 -9.524 1.00 0.00 C ATOM 1346 C GLU A 83 7.358 28.022 -9.421 1.00 0.00 C ATOM 1347 O GLU A 83 8.534 28.177 -9.078 1.00 0.00 O ATOM 1348 CB GLU A 83 5.284 26.639 -9.153 1.00 0.00 C ATOM 1349 CG GLU A 83 5.017 26.863 -7.675 1.00 0.00 C ATOM 1350 CD GLU A 83 3.541 26.873 -7.355 1.00 0.00 C ATOM 1351 OE1 GLU A 83 2.911 25.795 -7.406 1.00 0.00 O ATOM 1352 OE2 GLU A 83 3.000 27.956 -7.055 1.00 0.00 O1- ATOM 0 H GLU A 83 7.790 26.095 -7.775 1.00 0.00 H new ATOM 0 HA GLU A 83 6.857 26.282 -10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.786 27.423 -9.724 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.835 25.692 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.507 26.080 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.460 27.810 -7.367 1.00 0.00 H new TER 1359 GLU A 83 ATOM 1360 N LEU B 14 -12.662 -22.351 -39.102 1.00 0.00 N ATOM 1361 CA LEU B 14 -12.057 -23.491 -38.434 1.00 0.00 C ATOM 1362 C LEU B 14 -13.015 -24.673 -38.449 1.00 0.00 C ATOM 1363 O LEU B 14 -14.031 -24.664 -37.757 1.00 0.00 O ATOM 1364 CB LEU B 14 -11.677 -23.151 -36.985 1.00 0.00 C ATOM 1365 CG LEU B 14 -10.552 -22.124 -36.805 1.00 0.00 C ATOM 1366 CD1 LEU B 14 -11.030 -20.718 -37.133 1.00 0.00 C ATOM 1367 CD2 LEU B 14 -10.006 -22.181 -35.388 1.00 0.00 C ATOM 0 HA LEU B 14 -11.147 -23.752 -38.974 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -12.566 -22.779 -36.476 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -11.384 -24.073 -36.482 1.00 0.00 H new ATOM 0 HG LEU B 14 -9.752 -22.377 -37.501 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -10.210 -20.014 -36.996 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -11.370 -20.682 -38.168 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -11.853 -20.450 -36.471 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -9.208 -21.447 -35.276 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -10.805 -21.960 -34.681 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -9.612 -23.178 -35.190 1.00 0.00 H new ATOM 1379 N SER B 15 -12.716 -25.669 -39.264 1.00 0.00 N ATOM 1380 CA SER B 15 -13.537 -26.865 -39.325 1.00 0.00 C ATOM 1381 C SER B 15 -13.247 -27.764 -38.128 1.00 0.00 C ATOM 1382 O SER B 15 -14.165 -28.238 -37.454 1.00 0.00 O ATOM 1383 CB SER B 15 -13.285 -27.624 -40.635 1.00 0.00 C ATOM 1384 OG SER B 15 -14.132 -28.759 -40.756 1.00 0.00 O ATOM 0 H SER B 15 -11.912 -25.673 -39.892 1.00 0.00 H new ATOM 0 HA SER B 15 -14.585 -26.568 -39.295 1.00 0.00 H new ATOM 0 HB2 SER B 15 -13.449 -26.956 -41.480 1.00 0.00 H new ATOM 0 HB3 SER B 15 -12.243 -27.941 -40.677 1.00 0.00 H new ATOM 0 HG SER B 15 -13.789 -29.485 -40.193 1.00 0.00 H new ATOM 1390 N GLN B 16 -11.965 -27.980 -37.859 1.00 0.00 N ATOM 1391 CA GLN B 16 -11.550 -28.883 -36.795 1.00 0.00 C ATOM 1392 C GLN B 16 -11.104 -28.093 -35.569 1.00 0.00 C ATOM 1393 O GLN B 16 -10.591 -26.979 -35.689 1.00 0.00 O ATOM 1394 CB GLN B 16 -10.401 -29.784 -37.264 1.00 0.00 C ATOM 1395 CG GLN B 16 -10.649 -30.494 -38.590 1.00 0.00 C ATOM 1396 CD GLN B 16 -11.940 -31.283 -38.610 1.00 0.00 C ATOM 1397 OE1 GLN B 16 -12.981 -30.785 -39.040 1.00 0.00 O ATOM 1398 NE2 GLN B 16 -11.884 -32.515 -38.134 1.00 0.00 N ATOM 0 H GLN B 16 -11.195 -27.541 -38.364 1.00 0.00 H new ATOM 0 HA GLN B 16 -12.405 -29.505 -36.532 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -9.498 -29.181 -37.354 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -10.209 -30.534 -36.496 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -10.669 -29.756 -39.392 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -9.816 -31.166 -38.796 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -11.000 -32.888 -37.788 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -12.725 -33.092 -38.113 1.00 0.00 H new ATOM 1407 N GLU B 17 -11.284 -28.686 -34.394 1.00 0.00 N ATOM 1408 CA GLU B 17 -10.872 -28.063 -33.140 1.00 0.00 C ATOM 1409 C GLU B 17 -9.350 -28.049 -33.008 1.00 0.00 C ATOM 1410 O GLU B 17 -8.794 -27.332 -32.180 1.00 0.00 O ATOM 1411 CB GLU B 17 -11.488 -28.811 -31.957 1.00 0.00 C ATOM 1412 CG GLU B 17 -11.097 -30.280 -31.902 1.00 0.00 C ATOM 1413 CD GLU B 17 -11.831 -31.041 -30.822 1.00 0.00 C ATOM 1414 OE1 GLU B 17 -12.989 -31.443 -31.058 1.00 0.00 O ATOM 1415 OE2 GLU B 17 -11.252 -31.247 -29.735 1.00 0.00 O1- ATOM 0 H GLU B 17 -11.715 -29.604 -34.283 1.00 0.00 H new ATOM 0 HA GLU B 17 -11.226 -27.032 -33.141 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -11.181 -28.326 -31.030 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -12.574 -28.733 -32.013 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -11.301 -30.742 -32.868 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -10.023 -30.359 -31.731 1.00 0.00 H new ATOM 1422 N THR B 18 -8.683 -28.850 -33.828 1.00 0.00 N ATOM 1423 CA THR B 18 -7.229 -28.916 -33.817 1.00 0.00 C ATOM 1424 C THR B 18 -6.620 -27.578 -34.239 1.00 0.00 C ATOM 1425 O THR B 18 -5.534 -27.210 -33.792 1.00 0.00 O ATOM 1426 CB THR B 18 -6.727 -30.038 -34.746 1.00 0.00 C ATOM 1427 OG1 THR B 18 -7.472 -31.238 -34.494 1.00 0.00 O ATOM 1428 CG2 THR B 18 -5.246 -30.310 -34.523 1.00 0.00 C ATOM 0 H THR B 18 -9.127 -29.464 -34.510 1.00 0.00 H new ATOM 0 HA THR B 18 -6.913 -29.137 -32.798 1.00 0.00 H new ATOM 0 HB THR B 18 -6.870 -29.718 -35.778 1.00 0.00 H new ATOM 0 HG1 THR B 18 -7.154 -31.951 -35.086 1.00 0.00 H new ATOM 0 HG21 THR B 18 -4.918 -31.106 -35.191 1.00 0.00 H new ATOM 0 HG22 THR B 18 -4.675 -29.405 -34.729 1.00 0.00 H new ATOM 0 HG23 THR B 18 -5.084 -30.614 -33.489 1.00 0.00 H new ATOM 1436 N PHE B 19 -7.347 -26.836 -35.072 1.00 0.00 N ATOM 1437 CA PHE B 19 -6.882 -25.534 -35.544 1.00 0.00 C ATOM 1438 C PHE B 19 -6.752 -24.550 -34.387 1.00 0.00 C ATOM 1439 O PHE B 19 -5.988 -23.586 -34.460 1.00 0.00 O ATOM 1440 CB PHE B 19 -7.832 -24.968 -36.600 1.00 0.00 C ATOM 1441 CG PHE B 19 -7.770 -25.677 -37.927 1.00 0.00 C ATOM 1442 CD1 PHE B 19 -8.549 -26.796 -38.169 1.00 0.00 C ATOM 1443 CD2 PHE B 19 -6.936 -25.214 -38.936 1.00 0.00 C ATOM 1444 CE1 PHE B 19 -8.499 -27.441 -39.391 1.00 0.00 C ATOM 1445 CE2 PHE B 19 -6.883 -25.857 -40.159 1.00 0.00 C ATOM 1446 CZ PHE B 19 -7.666 -26.971 -40.385 1.00 0.00 C ATOM 0 H PHE B 19 -8.259 -27.114 -35.434 1.00 0.00 H new ATOM 0 HA PHE B 19 -5.900 -25.677 -35.994 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -8.852 -25.020 -36.220 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -7.602 -23.914 -36.753 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -9.203 -27.169 -37.395 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -6.322 -24.342 -38.764 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -9.112 -28.313 -39.567 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -6.230 -25.488 -40.936 1.00 0.00 H new ATOM 0 HZ PHE B 19 -7.626 -27.474 -41.340 1.00 0.00 H new ATOM 1456 N SER B 20 -7.488 -24.809 -33.317 1.00 0.00 N ATOM 1457 CA SER B 20 -7.478 -23.943 -32.151 1.00 0.00 C ATOM 1458 C SER B 20 -6.221 -24.166 -31.313 1.00 0.00 C ATOM 1459 O SER B 20 -5.875 -23.347 -30.465 1.00 0.00 O ATOM 1460 CB SER B 20 -8.723 -24.203 -31.308 1.00 0.00 C ATOM 1461 OG SER B 20 -9.889 -24.172 -32.110 1.00 0.00 O ATOM 0 H SER B 20 -8.103 -25.618 -33.233 1.00 0.00 H new ATOM 0 HA SER B 20 -7.478 -22.907 -32.490 1.00 0.00 H new ATOM 0 HB2 SER B 20 -8.639 -25.173 -30.817 1.00 0.00 H new ATOM 0 HB3 SER B 20 -8.798 -23.453 -30.521 1.00 0.00 H new ATOM 0 HG SER B 20 -10.675 -24.343 -31.551 1.00 0.00 H new ATOM 1467 N ASP B 21 -5.534 -25.275 -31.552 1.00 0.00 N ATOM 1468 CA ASP B 21 -4.327 -25.585 -30.799 1.00 0.00 C ATOM 1469 C ASP B 21 -3.073 -25.247 -31.605 1.00 0.00 C ATOM 1470 O ASP B 21 -1.993 -25.049 -31.047 1.00 0.00 O ATOM 1471 CB ASP B 21 -4.318 -27.060 -30.379 1.00 0.00 C ATOM 1472 CG ASP B 21 -3.133 -27.407 -29.495 1.00 0.00 C ATOM 1473 OD1 ASP B 21 -3.155 -27.062 -28.291 1.00 0.00 O1- ATOM 1474 OD2 ASP B 21 -2.169 -28.020 -29.998 1.00 0.00 O ATOM 0 H ASP B 21 -5.789 -25.969 -32.255 1.00 0.00 H new ATOM 0 HA ASP B 21 -4.324 -24.969 -29.900 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -5.242 -27.289 -29.848 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -4.298 -27.688 -31.270 1.00 0.00 H new ATOM 1479 N LEU B 22 -3.236 -25.147 -32.919 1.00 0.00 N ATOM 1480 CA LEU B 22 -2.115 -24.911 -33.826 1.00 0.00 C ATOM 1481 C LEU B 22 -1.413 -23.585 -33.545 1.00 0.00 C ATOM 1482 O LEU B 22 -0.186 -23.504 -33.579 1.00 0.00 O ATOM 1483 CB LEU B 22 -2.604 -24.924 -35.277 1.00 0.00 C ATOM 1484 CG LEU B 22 -3.267 -26.222 -35.735 1.00 0.00 C ATOM 1485 CD1 LEU B 22 -3.774 -26.074 -37.159 1.00 0.00 C ATOM 1486 CD2 LEU B 22 -2.296 -27.390 -35.626 1.00 0.00 C ATOM 0 H LEU B 22 -4.140 -25.226 -33.384 1.00 0.00 H new ATOM 0 HA LEU B 22 -1.395 -25.713 -33.662 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -3.313 -24.107 -35.411 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.756 -24.719 -35.930 1.00 0.00 H new ATOM 0 HG LEU B 22 -4.116 -26.429 -35.083 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.245 -27.005 -37.476 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -4.503 -25.265 -37.203 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -2.938 -25.846 -37.821 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -2.788 -28.304 -35.957 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -1.425 -27.199 -36.253 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -1.978 -27.504 -34.589 1.00 0.00 H new ATOM 1498 N TRP B 23 -2.189 -22.549 -33.252 1.00 0.00 N ATOM 1499 CA TRP B 23 -1.636 -21.207 -33.103 1.00 0.00 C ATOM 1500 C TRP B 23 -1.032 -20.999 -31.715 1.00 0.00 C ATOM 1501 O TRP B 23 -0.463 -19.944 -31.428 1.00 0.00 O ATOM 1502 CB TRP B 23 -2.713 -20.148 -33.372 1.00 0.00 C ATOM 1503 CG TRP B 23 -3.824 -20.140 -32.360 1.00 0.00 C ATOM 1504 CD1 TRP B 23 -4.997 -20.838 -32.421 1.00 0.00 C ATOM 1505 CD2 TRP B 23 -3.866 -19.390 -31.136 1.00 0.00 C ATOM 1506 NE1 TRP B 23 -5.763 -20.564 -31.311 1.00 0.00 N ATOM 1507 CE2 TRP B 23 -5.089 -19.685 -30.507 1.00 0.00 C ATOM 1508 CE3 TRP B 23 -2.985 -18.497 -30.512 1.00 0.00 C ATOM 1509 CZ2 TRP B 23 -5.450 -19.121 -29.284 1.00 0.00 C ATOM 1510 CZ3 TRP B 23 -3.345 -17.943 -29.299 1.00 0.00 C ATOM 1511 CH2 TRP B 23 -4.566 -18.258 -28.696 1.00 0.00 C ATOM 0 H TRP B 23 -3.198 -22.610 -33.113 1.00 0.00 H new ATOM 0 HA TRP B 23 -0.838 -21.098 -33.837 1.00 0.00 H new ATOM 0 HB2 TRP B 23 -2.245 -19.164 -33.391 1.00 0.00 H new ATOM 0 HB3 TRP B 23 -3.137 -20.318 -34.362 1.00 0.00 H new ATOM 0 HD1 TRP B 23 -5.281 -21.505 -33.221 1.00 0.00 H new ATOM 0 HE1 TRP B 23 -6.686 -20.954 -31.118 1.00 0.00 H new ATOM 0 HE3 TRP B 23 -2.040 -18.246 -30.972 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 -6.395 -19.357 -28.817 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 -2.672 -17.255 -28.809 1.00 0.00 H new ATOM 0 HH2 TRP B 23 -4.817 -17.811 -27.746 1.00 0.00 H new ATOM 1522 N LYS B 24 -1.128 -22.013 -30.865 1.00 0.00 N ATOM 1523 CA LYS B 24 -0.680 -21.906 -29.477 1.00 0.00 C ATOM 1524 C LYS B 24 0.837 -22.047 -29.356 1.00 0.00 C ATOM 1525 O LYS B 24 1.353 -22.402 -28.295 1.00 0.00 O ATOM 1526 CB LYS B 24 -1.369 -22.964 -28.615 1.00 0.00 C ATOM 1527 CG LYS B 24 -2.860 -22.730 -28.427 1.00 0.00 C ATOM 1528 CD LYS B 24 -3.529 -23.949 -27.817 1.00 0.00 C ATOM 1529 CE LYS B 24 -3.003 -24.252 -26.428 1.00 0.00 C ATOM 1530 NZ LYS B 24 -3.384 -25.620 -25.991 1.00 0.00 N1+ ATOM 0 H LYS B 24 -1.514 -22.925 -31.111 1.00 0.00 H new ATOM 0 HA LYS B 24 -0.953 -20.912 -29.122 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -1.219 -23.943 -29.070 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -0.889 -22.990 -27.637 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -3.018 -21.864 -27.784 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -3.320 -22.501 -29.388 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -4.606 -23.785 -27.769 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -3.366 -24.812 -28.462 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -1.917 -24.155 -26.419 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -3.395 -23.520 -25.721 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -2.860 -25.867 -25.127 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -4.405 -25.651 -25.797 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -3.154 -26.301 -26.742 1.00 0.00 H new ATOM 1544 N LEU B 25 1.547 -21.731 -30.431 1.00 0.00 N ATOM 1545 CA LEU B 25 3.005 -21.729 -30.419 1.00 0.00 C ATOM 1546 C LEU B 25 3.519 -20.429 -29.798 1.00 0.00 C ATOM 1547 O LEU B 25 4.706 -20.111 -29.868 1.00 0.00 O ATOM 1548 CB LEU B 25 3.549 -21.889 -31.842 1.00 0.00 C ATOM 1549 CG LEU B 25 3.089 -23.150 -32.580 1.00 0.00 C ATOM 1550 CD1 LEU B 25 3.663 -23.179 -33.986 1.00 0.00 C ATOM 1551 CD2 LEU B 25 3.494 -24.400 -31.811 1.00 0.00 C ATOM 0 H LEU B 25 1.135 -21.471 -31.327 1.00 0.00 H new ATOM 0 HA LEU B 25 3.354 -22.569 -29.819 1.00 0.00 H new ATOM 0 HB2 LEU B 25 3.254 -21.018 -32.426 1.00 0.00 H new ATOM 0 HB3 LEU B 25 4.638 -21.890 -31.799 1.00 0.00 H new ATOM 0 HG LEU B 25 2.001 -23.131 -32.651 1.00 0.00 H new ATOM 0 HD11 LEU B 25 3.327 -24.081 -34.498 1.00 0.00 H new ATOM 0 HD12 LEU B 25 3.323 -22.302 -34.536 1.00 0.00 H new ATOM 0 HD13 LEU B 25 4.752 -23.175 -33.935 1.00 0.00 H new ATOM 0 HD21 LEU B 25 3.158 -25.285 -32.352 1.00 0.00 H new ATOM 0 HD22 LEU B 25 4.579 -24.428 -31.708 1.00 0.00 H new ATOM 0 HD23 LEU B 25 3.036 -24.383 -30.822 1.00 0.00 H new ATOM 1563 N LEU B 26 2.600 -19.682 -29.203 1.00 0.00 N ATOM 1564 CA LEU B 26 2.917 -18.427 -28.542 1.00 0.00 C ATOM 1565 C LEU B 26 3.124 -18.657 -27.048 1.00 0.00 C ATOM 1566 O LEU B 26 2.571 -19.605 -26.485 1.00 0.00 O ATOM 1567 CB LEU B 26 1.777 -17.430 -28.757 1.00 0.00 C ATOM 1568 CG LEU B 26 1.437 -17.143 -30.221 1.00 0.00 C ATOM 1569 CD1 LEU B 26 0.174 -16.308 -30.316 1.00 0.00 C ATOM 1570 CD2 LEU B 26 2.595 -16.442 -30.915 1.00 0.00 C ATOM 0 H LEU B 26 1.612 -19.931 -29.166 1.00 0.00 H new ATOM 0 HA LEU B 26 3.836 -18.025 -28.968 1.00 0.00 H new ATOM 0 HB2 LEU B 26 0.884 -17.809 -28.260 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.039 -16.491 -28.270 1.00 0.00 H new ATOM 0 HG LEU B 26 1.263 -18.093 -30.726 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -0.055 -16.112 -31.364 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -0.655 -16.848 -29.858 1.00 0.00 H new ATOM 0 HD13 LEU B 26 0.323 -15.363 -29.794 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.332 -16.247 -31.955 1.00 0.00 H new ATOM 0 HD22 LEU B 26 2.804 -15.498 -30.411 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.480 -17.077 -30.877 1.00 0.00 H new ATOM 1582 N PRO B 27 3.930 -17.810 -26.391 1.00 0.00 N ATOM 1583 CA PRO B 27 4.178 -17.915 -24.950 1.00 0.00 C ATOM 1584 C PRO B 27 2.923 -17.654 -24.117 1.00 0.00 C ATOM 1585 O PRO B 27 2.563 -16.506 -23.845 1.00 0.00 O ATOM 1586 CB PRO B 27 5.236 -16.837 -24.674 1.00 0.00 C ATOM 1587 CG PRO B 27 5.801 -16.487 -26.008 1.00 0.00 C ATOM 1588 CD PRO B 27 4.690 -16.705 -26.996 1.00 0.00 C ATOM 0 HA PRO B 27 4.498 -18.920 -24.675 1.00 0.00 H new ATOM 0 HB2 PRO B 27 4.792 -15.965 -24.194 1.00 0.00 H new ATOM 0 HB3 PRO B 27 6.011 -17.210 -24.004 1.00 0.00 H new ATOM 0 HG2 PRO B 27 6.144 -15.452 -26.028 1.00 0.00 H new ATOM 0 HG3 PRO B 27 6.662 -17.113 -26.244 1.00 0.00 H new ATOM 0 HD2 PRO B 27 4.077 -15.812 -27.119 1.00 0.00 H new ATOM 0 HD3 PRO B 27 5.072 -16.969 -27.982 1.00 0.00 H new ATOM 1596 N GLU B 28 2.259 -18.732 -23.729 1.00 0.00 N ATOM 1597 CA GLU B 28 1.070 -18.662 -22.889 1.00 0.00 C ATOM 1598 C GLU B 28 0.916 -19.964 -22.113 1.00 0.00 C ATOM 1599 O GLU B 28 1.687 -20.904 -22.314 1.00 0.00 O ATOM 1600 CB GLU B 28 -0.187 -18.414 -23.732 1.00 0.00 C ATOM 1601 CG GLU B 28 -0.971 -17.177 -23.318 1.00 0.00 C ATOM 1602 CD GLU B 28 -1.265 -17.153 -21.832 1.00 0.00 C ATOM 1603 OE1 GLU B 28 -2.017 -18.034 -21.357 1.00 0.00 O ATOM 1604 OE2 GLU B 28 -0.739 -16.263 -21.133 1.00 0.00 O1- ATOM 0 H GLU B 28 2.528 -19.681 -23.987 1.00 0.00 H new ATOM 0 HA GLU B 28 1.188 -17.829 -22.196 1.00 0.00 H new ATOM 0 HB2 GLU B 28 0.102 -18.316 -24.778 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -0.838 -19.285 -23.662 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.407 -16.285 -23.589 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -1.909 -17.142 -23.872 1.00 0.00 H new ATOM 1611 N ASN B 29 -0.077 -20.025 -21.239 1.00 0.00 N ATOM 1612 CA ASN B 29 -0.317 -21.224 -20.449 1.00 0.00 C ATOM 1613 C ASN B 29 -1.739 -21.748 -20.649 1.00 0.00 C ATOM 1614 O ASN B 29 -1.948 -22.953 -20.784 1.00 0.00 O ATOM 1615 CB ASN B 29 -0.033 -20.958 -18.960 1.00 0.00 C ATOM 1616 CG ASN B 29 -0.868 -19.827 -18.378 1.00 0.00 C ATOM 1617 OD1 ASN B 29 -0.477 -18.663 -18.425 1.00 0.00 O ATOM 1618 ND2 ASN B 29 -2.015 -20.165 -17.810 1.00 0.00 N ATOM 0 H ASN B 29 -0.728 -19.261 -21.059 1.00 0.00 H new ATOM 0 HA ASN B 29 0.369 -21.996 -20.796 1.00 0.00 H new ATOM 0 HB2 ASN B 29 -0.224 -21.869 -18.393 1.00 0.00 H new ATOM 0 HB3 ASN B 29 1.024 -20.721 -18.836 1.00 0.00 H new ATOM 0 HD21 ASN B 29 -2.608 -19.448 -17.392 1.00 0.00 H new ATOM 0 HD22 ASN B 29 -2.306 -21.142 -17.791 1.00 0.00 H new ATOM 1625 N ASN B 30 -2.710 -20.845 -20.693 1.00 0.00 N ATOM 1626 CA ASN B 30 -4.115 -21.237 -20.805 1.00 0.00 C ATOM 1627 C ASN B 30 -4.827 -20.371 -21.841 1.00 0.00 C ATOM 1628 O ASN B 30 -6.020 -20.525 -22.086 1.00 0.00 O ATOM 1629 CB ASN B 30 -4.790 -21.108 -19.425 1.00 0.00 C ATOM 1630 CG ASN B 30 -6.254 -21.524 -19.405 1.00 0.00 C ATOM 1631 OD1 ASN B 30 -6.578 -22.701 -19.239 1.00 0.00 O ATOM 1632 ND2 ASN B 30 -7.149 -20.553 -19.539 1.00 0.00 N ATOM 0 H ASN B 30 -2.554 -19.838 -20.653 1.00 0.00 H new ATOM 0 HA ASN B 30 -4.178 -22.274 -21.136 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -4.241 -21.717 -18.706 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -4.713 -20.073 -19.091 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -8.145 -20.770 -19.506 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -6.841 -19.590 -19.675 1.00 0.00 H new ATOM 1639 N VAL B 31 -4.062 -19.490 -22.482 1.00 0.00 N ATOM 1640 CA VAL B 31 -4.621 -18.442 -23.325 1.00 0.00 C ATOM 1641 C VAL B 31 -5.439 -17.506 -22.446 1.00 0.00 C ATOM 1642 O VAL B 31 -6.658 -17.383 -22.580 1.00 0.00 O ATOM 1643 CB VAL B 31 -5.484 -18.986 -24.491 1.00 0.00 C ATOM 1644 CG1 VAL B 31 -5.951 -17.849 -25.392 1.00 0.00 C ATOM 1645 CG2 VAL B 31 -4.708 -20.023 -25.296 1.00 0.00 C ATOM 0 H VAL B 31 -3.043 -19.484 -22.431 1.00 0.00 H new ATOM 0 HA VAL B 31 -3.793 -17.911 -23.795 1.00 0.00 H new ATOM 0 HB VAL B 31 -6.364 -19.469 -24.066 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -6.555 -18.253 -26.204 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -6.548 -17.146 -24.811 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -5.084 -17.334 -25.806 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -5.331 -20.393 -26.110 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -3.808 -19.566 -25.707 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -4.429 -20.853 -24.647 1.00 0.00 H new ATOM 1655 N LEU B 32 -4.754 -16.896 -21.491 1.00 0.00 N ATOM 1656 CA LEU B 32 -5.395 -15.983 -20.565 1.00 0.00 C ATOM 1657 C LEU B 32 -5.677 -14.648 -21.238 1.00 0.00 C ATOM 1658 O LEU B 32 -4.875 -14.158 -22.035 1.00 0.00 O ATOM 1659 CB LEU B 32 -4.526 -15.781 -19.322 1.00 0.00 C ATOM 1660 CG LEU B 32 -4.301 -17.038 -18.477 1.00 0.00 C ATOM 1661 CD1 LEU B 32 -3.396 -16.732 -17.294 1.00 0.00 C ATOM 1662 CD2 LEU B 32 -5.629 -17.607 -17.998 1.00 0.00 C ATOM 0 H LEU B 32 -3.753 -17.019 -21.339 1.00 0.00 H new ATOM 0 HA LEU B 32 -6.344 -16.420 -20.256 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -3.556 -15.393 -19.634 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -4.987 -15.018 -18.695 1.00 0.00 H new ATOM 0 HG LEU B 32 -3.812 -17.786 -19.101 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.248 -17.637 -16.705 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.433 -16.373 -17.656 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.858 -15.966 -16.671 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -5.448 -18.500 -17.399 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -6.146 -16.863 -17.392 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -6.245 -17.866 -18.859 1.00 0.00 H new ATOM 1674 N SER B 33 -6.839 -14.094 -20.941 1.00 0.00 N ATOM 1675 CA SER B 33 -7.236 -12.787 -21.442 1.00 0.00 C ATOM 1676 C SER B 33 -6.256 -11.702 -20.982 1.00 0.00 C ATOM 1677 O SER B 33 -5.641 -11.823 -19.923 1.00 0.00 O ATOM 1678 CB SER B 33 -8.647 -12.462 -20.948 1.00 0.00 C ATOM 1679 OG SER B 33 -9.531 -13.547 -21.189 1.00 0.00 O ATOM 0 H SER B 33 -7.537 -14.538 -20.344 1.00 0.00 H new ATOM 0 HA SER B 33 -7.225 -12.812 -22.532 1.00 0.00 H new ATOM 0 HB2 SER B 33 -8.621 -12.239 -19.881 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.016 -11.568 -21.451 1.00 0.00 H new ATOM 0 HG SER B 33 -10.427 -13.318 -20.864 1.00 0.00 H new ATOM 1685 N PRO B 34 -6.086 -10.638 -21.786 1.00 0.00 N ATOM 1686 CA PRO B 34 -5.231 -9.501 -21.425 1.00 0.00 C ATOM 1687 C PRO B 34 -5.612 -8.903 -20.074 1.00 0.00 C ATOM 1688 O PRO B 34 -6.686 -8.315 -19.921 1.00 0.00 O ATOM 1689 CB PRO B 34 -5.483 -8.492 -22.548 1.00 0.00 C ATOM 1690 CG PRO B 34 -5.925 -9.319 -23.703 1.00 0.00 C ATOM 1691 CD PRO B 34 -6.699 -10.464 -23.115 1.00 0.00 C ATOM 0 HA PRO B 34 -4.185 -9.791 -21.326 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -6.246 -7.766 -22.265 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -4.580 -7.929 -22.786 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -6.545 -8.738 -24.385 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -5.070 -9.678 -24.276 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -7.762 -10.235 -23.041 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -6.608 -11.365 -23.721 1.00 0.00 H new ATOM 1699 N LEU B 35 -4.735 -9.078 -19.093 1.00 0.00 N ATOM 1700 CA LEU B 35 -4.984 -8.610 -17.737 1.00 0.00 C ATOM 1701 C LEU B 35 -3.679 -8.132 -17.100 1.00 0.00 C ATOM 1702 O LEU B 35 -2.686 -8.861 -17.097 1.00 0.00 O ATOM 1703 CB LEU B 35 -5.586 -9.749 -16.904 1.00 0.00 C ATOM 1704 CG LEU B 35 -6.070 -9.368 -15.502 1.00 0.00 C ATOM 1705 CD1 LEU B 35 -7.348 -8.546 -15.577 1.00 0.00 C ATOM 1706 CD2 LEU B 35 -6.289 -10.614 -14.658 1.00 0.00 C ATOM 0 H LEU B 35 -3.837 -9.546 -19.215 1.00 0.00 H new ATOM 0 HA LEU B 35 -5.686 -7.776 -17.768 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -6.426 -10.172 -17.455 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -4.839 -10.537 -16.808 1.00 0.00 H new ATOM 0 HG LEU B 35 -5.299 -8.759 -15.029 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -7.673 -8.287 -14.570 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -7.161 -7.634 -16.144 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -8.126 -9.128 -16.071 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -6.633 -10.325 -13.665 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -7.039 -11.247 -15.132 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -5.352 -11.164 -14.572 1.00 0.00 H new ATOM 1718 N PRO B 36 -3.653 -6.894 -16.572 1.00 0.00 N ATOM 1719 CA PRO B 36 -2.475 -6.345 -15.889 1.00 0.00 C ATOM 1720 C PRO B 36 -2.054 -7.188 -14.685 1.00 0.00 C ATOM 1721 O PRO B 36 -2.895 -7.721 -13.957 1.00 0.00 O ATOM 1722 CB PRO B 36 -2.922 -4.947 -15.445 1.00 0.00 C ATOM 1723 CG PRO B 36 -4.412 -4.962 -15.524 1.00 0.00 C ATOM 1724 CD PRO B 36 -4.760 -5.928 -16.619 1.00 0.00 C ATOM 0 HA PRO B 36 -1.602 -6.330 -16.542 1.00 0.00 H new ATOM 0 HB2 PRO B 36 -2.585 -4.730 -14.431 1.00 0.00 H new ATOM 0 HB3 PRO B 36 -2.502 -4.177 -16.092 1.00 0.00 H new ATOM 0 HG2 PRO B 36 -4.850 -5.274 -14.576 1.00 0.00 H new ATOM 0 HG3 PRO B 36 -4.801 -3.968 -15.743 1.00 0.00 H new ATOM 0 HD2 PRO B 36 -5.722 -6.408 -16.443 1.00 0.00 H new ATOM 0 HD3 PRO B 36 -4.823 -5.434 -17.588 1.00 0.00 H new ATOM 1732 N SER B 37 -0.749 -7.285 -14.468 1.00 0.00 N ATOM 1733 CA SER B 37 -0.202 -8.198 -13.474 1.00 0.00 C ATOM 1734 C SER B 37 -0.197 -7.583 -12.077 1.00 0.00 C ATOM 1735 O SER B 37 0.053 -8.273 -11.095 1.00 0.00 O ATOM 1736 CB SER B 37 1.223 -8.596 -13.868 1.00 0.00 C ATOM 1737 OG SER B 37 1.293 -8.948 -15.241 1.00 0.00 O ATOM 0 H SER B 37 -0.047 -6.740 -14.969 1.00 0.00 H new ATOM 0 HA SER B 37 -0.842 -9.080 -13.446 1.00 0.00 H new ATOM 0 HB2 SER B 37 1.904 -7.769 -13.666 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.552 -9.436 -13.257 1.00 0.00 H new ATOM 0 HG SER B 37 2.213 -9.197 -15.468 1.00 0.00 H new ATOM 1743 N GLN B 38 -0.471 -6.289 -11.993 1.00 0.00 N ATOM 1744 CA GLN B 38 -0.434 -5.594 -10.712 1.00 0.00 C ATOM 1745 C GLN B 38 -1.776 -4.943 -10.397 1.00 0.00 C ATOM 1746 O GLN B 38 -1.861 -4.022 -9.589 1.00 0.00 O ATOM 1747 CB GLN B 38 0.689 -4.552 -10.715 1.00 0.00 C ATOM 1748 CG GLN B 38 0.573 -3.507 -11.813 1.00 0.00 C ATOM 1749 CD GLN B 38 1.828 -2.672 -11.946 1.00 0.00 C ATOM 1750 OE1 GLN B 38 2.933 -3.149 -11.691 1.00 0.00 O ATOM 1751 NE2 GLN B 38 1.672 -1.417 -12.333 1.00 0.00 N ATOM 0 H GLN B 38 -0.720 -5.702 -12.789 1.00 0.00 H new ATOM 0 HA GLN B 38 -0.234 -6.326 -9.930 1.00 0.00 H new ATOM 0 HB2 GLN B 38 0.702 -4.047 -9.749 1.00 0.00 H new ATOM 0 HB3 GLN B 38 1.645 -5.066 -10.819 1.00 0.00 H new ATOM 0 HG2 GLN B 38 0.366 -4.002 -12.762 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -0.274 -2.854 -11.602 1.00 0.00 H new ATOM 0 HE21 GLN B 38 0.739 -1.058 -12.535 1.00 0.00 H new ATOM 0 HE22 GLN B 38 2.485 -0.808 -12.429 1.00 0.00 H new ATOM 1760 N ALA B 39 -2.834 -5.463 -11.004 1.00 0.00 N ATOM 1761 CA ALA B 39 -4.169 -4.904 -10.827 1.00 0.00 C ATOM 1762 C ALA B 39 -4.823 -5.398 -9.540 1.00 0.00 C ATOM 1763 O ALA B 39 -5.940 -4.998 -9.208 1.00 0.00 O ATOM 1764 CB ALA B 39 -5.041 -5.254 -12.021 1.00 0.00 C ATOM 0 H ALA B 39 -2.795 -6.272 -11.624 1.00 0.00 H new ATOM 0 HA ALA B 39 -4.069 -3.821 -10.753 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -6.036 -4.833 -11.881 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -4.598 -4.843 -12.928 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -5.115 -6.338 -12.112 1.00 0.00 H new ATOM 1770 N MET B 40 -4.136 -6.271 -8.815 1.00 0.00 N ATOM 1771 CA MET B 40 -4.696 -6.843 -7.597 1.00 0.00 C ATOM 1772 C MET B 40 -3.994 -6.311 -6.350 1.00 0.00 C ATOM 1773 O MET B 40 -4.465 -6.523 -5.237 1.00 0.00 O ATOM 1774 CB MET B 40 -4.632 -8.378 -7.623 1.00 0.00 C ATOM 1775 CG MET B 40 -3.219 -8.942 -7.653 1.00 0.00 C ATOM 1776 SD MET B 40 -2.371 -8.625 -9.213 1.00 0.00 S ATOM 1777 CE MET B 40 -3.401 -9.543 -10.360 1.00 0.00 C ATOM 0 H MET B 40 -3.197 -6.597 -9.046 1.00 0.00 H new ATOM 0 HA MET B 40 -5.742 -6.538 -7.555 1.00 0.00 H new ATOM 0 HB2 MET B 40 -5.148 -8.767 -6.745 1.00 0.00 H new ATOM 0 HB3 MET B 40 -5.174 -8.739 -8.497 1.00 0.00 H new ATOM 0 HG2 MET B 40 -2.642 -8.507 -6.837 1.00 0.00 H new ATOM 0 HG3 MET B 40 -3.258 -10.017 -7.478 1.00 0.00 H new ATOM 0 HE1 MET B 40 -2.823 -9.791 -11.250 1.00 0.00 H new ATOM 0 HE2 MET B 40 -3.746 -10.461 -9.884 1.00 0.00 H new ATOM 0 HE3 MET B 40 -4.261 -8.936 -10.643 1.00 0.00 H new ATOM 1787 N ASP B 41 -2.888 -5.602 -6.539 1.00 0.00 N ATOM 1788 CA ASP B 41 -2.150 -5.034 -5.407 1.00 0.00 C ATOM 1789 C ASP B 41 -2.674 -3.634 -5.109 1.00 0.00 C ATOM 1790 O ASP B 41 -2.103 -2.878 -4.328 1.00 0.00 O ATOM 1791 CB ASP B 41 -0.643 -5.000 -5.696 1.00 0.00 C ATOM 1792 CG ASP B 41 0.183 -4.694 -4.454 1.00 0.00 C ATOM 1793 OD1 ASP B 41 -0.326 -4.906 -3.326 1.00 0.00 O1- ATOM 1794 OD2 ASP B 41 1.340 -4.256 -4.602 1.00 0.00 O ATOM 0 H ASP B 41 -2.482 -5.405 -7.454 1.00 0.00 H new ATOM 0 HA ASP B 41 -2.304 -5.666 -4.533 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -0.333 -5.961 -6.106 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -0.439 -4.248 -6.458 1.00 0.00 H new ATOM 1799 N ASP B 42 -3.802 -3.316 -5.729 1.00 0.00 N ATOM 1800 CA ASP B 42 -4.448 -2.019 -5.565 1.00 0.00 C ATOM 1801 C ASP B 42 -4.797 -1.768 -4.099 1.00 0.00 C ATOM 1802 O ASP B 42 -4.868 -0.620 -3.656 1.00 0.00 O ATOM 1803 CB ASP B 42 -5.714 -1.965 -6.428 1.00 0.00 C ATOM 1804 CG ASP B 42 -6.295 -0.569 -6.543 1.00 0.00 C ATOM 1805 OD1 ASP B 42 -7.135 -0.189 -5.702 1.00 0.00 O ATOM 1806 OD2 ASP B 42 -5.924 0.152 -7.493 1.00 0.00 O1- ATOM 0 H ASP B 42 -4.295 -3.948 -6.359 1.00 0.00 H new ATOM 0 HA ASP B 42 -3.757 -1.239 -5.886 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -5.483 -2.340 -7.425 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -6.465 -2.631 -6.003 1.00 0.00 H new ATOM 1811 N LEU B 43 -4.986 -2.857 -3.353 1.00 0.00 N ATOM 1812 CA LEU B 43 -5.341 -2.789 -1.937 1.00 0.00 C ATOM 1813 C LEU B 43 -4.312 -1.983 -1.150 1.00 0.00 C ATOM 1814 O LEU B 43 -4.659 -1.042 -0.433 1.00 0.00 O ATOM 1815 CB LEU B 43 -5.446 -4.198 -1.344 1.00 0.00 C ATOM 1816 CG LEU B 43 -6.486 -5.119 -1.988 1.00 0.00 C ATOM 1817 CD1 LEU B 43 -6.486 -6.476 -1.297 1.00 0.00 C ATOM 1818 CD2 LEU B 43 -7.868 -4.486 -1.930 1.00 0.00 C ATOM 0 H LEU B 43 -4.897 -3.807 -3.713 1.00 0.00 H new ATOM 0 HA LEU B 43 -6.307 -2.291 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -4.469 -4.676 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -5.676 -4.108 -0.282 1.00 0.00 H new ATOM 0 HG LEU B 43 -6.223 -5.264 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -7.230 -7.122 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -5.500 -6.932 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -6.728 -6.347 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -8.594 -5.155 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -8.145 -4.312 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -7.856 -3.537 -2.466 1.00 0.00 H new ATOM 1830 N MET B 44 -3.044 -2.350 -1.283 1.00 0.00 N ATOM 1831 CA MET B 44 -1.990 -1.666 -0.551 1.00 0.00 C ATOM 1832 C MET B 44 -1.194 -0.754 -1.463 1.00 0.00 C ATOM 1833 O MET B 44 -1.305 0.473 -1.396 1.00 0.00 O ATOM 1834 CB MET B 44 -1.006 -2.647 0.078 1.00 0.00 C ATOM 1835 CG MET B 44 -1.590 -3.630 1.070 1.00 0.00 C ATOM 1836 SD MET B 44 -2.352 -5.051 0.272 1.00 0.00 S ATOM 1837 CE MET B 44 -2.135 -6.291 1.540 1.00 0.00 C ATOM 0 H MET B 44 -2.724 -3.109 -1.884 1.00 0.00 H new ATOM 0 HA MET B 44 -2.491 -1.091 0.228 1.00 0.00 H new ATOM 0 HB2 MET B 44 -0.525 -3.211 -0.721 1.00 0.00 H new ATOM 0 HB3 MET B 44 -0.225 -2.076 0.580 1.00 0.00 H new ATOM 0 HG2 MET B 44 -0.803 -3.974 1.741 1.00 0.00 H new ATOM 0 HG3 MET B 44 -2.333 -3.122 1.685 1.00 0.00 H new ATOM 0 HE1 MET B 44 -1.830 -7.231 1.081 1.00 0.00 H new ATOM 0 HE2 MET B 44 -1.368 -5.964 2.242 1.00 0.00 H new ATOM 0 HE3 MET B 44 -3.075 -6.436 2.072 1.00 0.00 H new ATOM 1847 N LEU B 45 -0.399 -1.368 -2.323 1.00 0.00 N ATOM 1848 CA LEU B 45 0.541 -0.637 -3.146 1.00 0.00 C ATOM 1849 C LEU B 45 -0.097 -0.302 -4.493 1.00 0.00 C ATOM 1850 O LEU B 45 -0.061 -1.085 -5.440 1.00 0.00 O ATOM 1851 CB LEU B 45 1.852 -1.441 -3.281 1.00 0.00 C ATOM 1852 CG LEU B 45 2.525 -1.778 -1.934 1.00 0.00 C ATOM 1853 CD1 LEU B 45 3.878 -2.461 -2.112 1.00 0.00 C ATOM 1854 CD2 LEU B 45 2.688 -0.525 -1.105 1.00 0.00 C ATOM 0 H LEU B 45 -0.389 -2.378 -2.468 1.00 0.00 H new ATOM 0 HA LEU B 45 0.797 0.312 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU B 45 1.643 -2.369 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU B 45 2.553 -0.873 -3.893 1.00 0.00 H new ATOM 0 HG LEU B 45 1.871 -2.481 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.308 -2.676 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU B 45 3.746 -3.392 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU B 45 4.548 -1.803 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.164 -0.775 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU B 45 3.309 0.190 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU B 45 1.709 -0.085 -0.915 1.00 0.00 H new ATOM 1866 N SER B 46 -0.713 0.877 -4.541 1.00 0.00 N ATOM 1867 CA SER B 46 -1.487 1.319 -5.695 1.00 0.00 C ATOM 1868 C SER B 46 -0.627 1.437 -6.955 1.00 0.00 C ATOM 1869 O SER B 46 0.436 2.062 -6.938 1.00 0.00 O ATOM 1870 CB SER B 46 -2.146 2.655 -5.370 1.00 0.00 C ATOM 1871 OG SER B 46 -2.888 2.555 -4.163 1.00 0.00 O ATOM 0 H SER B 46 -0.688 1.553 -3.778 1.00 0.00 H new ATOM 0 HA SER B 46 -2.249 0.569 -5.904 1.00 0.00 H new ATOM 0 HB2 SER B 46 -1.386 3.430 -5.275 1.00 0.00 H new ATOM 0 HB3 SER B 46 -2.804 2.952 -6.186 1.00 0.00 H new ATOM 0 HG SER B 46 -3.305 3.419 -3.963 1.00 0.00 H new ATOM 1877 N PRO B 47 -1.109 0.852 -8.070 1.00 0.00 N ATOM 1878 CA PRO B 47 -0.360 0.752 -9.334 1.00 0.00 C ATOM 1879 C PRO B 47 0.267 2.064 -9.806 1.00 0.00 C ATOM 1880 O PRO B 47 1.417 2.082 -10.232 1.00 0.00 O ATOM 1881 CB PRO B 47 -1.419 0.281 -10.330 1.00 0.00 C ATOM 1882 CG PRO B 47 -2.394 -0.480 -9.507 1.00 0.00 C ATOM 1883 CD PRO B 47 -2.439 0.216 -8.176 1.00 0.00 C ATOM 0 HA PRO B 47 0.495 0.085 -9.224 1.00 0.00 H new ATOM 0 HB2 PRO B 47 -1.895 1.124 -10.831 1.00 0.00 H new ATOM 0 HB3 PRO B 47 -0.982 -0.346 -11.107 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -3.378 -0.490 -9.976 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -2.084 -1.519 -9.395 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -3.240 0.954 -8.137 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -2.613 -0.487 -7.362 1.00 0.00 H new ATOM 1891 N ASP B 48 -0.479 3.160 -9.722 1.00 0.00 N ATOM 1892 CA ASP B 48 0.009 4.448 -10.220 1.00 0.00 C ATOM 1893 C ASP B 48 1.223 4.919 -9.427 1.00 0.00 C ATOM 1894 O ASP B 48 2.155 5.502 -9.979 1.00 0.00 O ATOM 1895 CB ASP B 48 -1.092 5.512 -10.165 1.00 0.00 C ATOM 1896 CG ASP B 48 -0.606 6.869 -10.640 1.00 0.00 C ATOM 1897 OD1 ASP B 48 -0.494 7.068 -11.866 1.00 0.00 O ATOM 1898 OD2 ASP B 48 -0.340 7.746 -9.786 1.00 0.00 O1- ATOM 0 H ASP B 48 -1.415 3.187 -9.318 1.00 0.00 H new ATOM 0 HA ASP B 48 0.305 4.304 -11.259 1.00 0.00 H new ATOM 0 HB2 ASP B 48 -1.933 5.194 -10.781 1.00 0.00 H new ATOM 0 HB3 ASP B 48 -1.460 5.598 -9.143 1.00 0.00 H new ATOM 1903 N ASP B 49 1.217 4.636 -8.135 1.00 0.00 N ATOM 1904 CA ASP B 49 2.293 5.065 -7.251 1.00 0.00 C ATOM 1905 C ASP B 49 3.492 4.134 -7.342 1.00 0.00 C ATOM 1906 O ASP B 49 4.639 4.580 -7.399 1.00 0.00 O ATOM 1907 CB ASP B 49 1.808 5.119 -5.801 1.00 0.00 C ATOM 1908 CG ASP B 49 1.006 6.365 -5.501 1.00 0.00 C ATOM 1909 OD1 ASP B 49 1.620 7.412 -5.208 1.00 0.00 O1- ATOM 1910 OD2 ASP B 49 -0.238 6.305 -5.544 1.00 0.00 O ATOM 0 H ASP B 49 0.477 4.109 -7.672 1.00 0.00 H new ATOM 0 HA ASP B 49 2.598 6.061 -7.572 1.00 0.00 H new ATOM 0 HB2 ASP B 49 1.198 4.240 -5.593 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.668 5.075 -5.133 1.00 0.00 H new ATOM 1915 N ILE B 50 3.219 2.836 -7.376 1.00 0.00 N ATOM 1916 CA ILE B 50 4.268 1.828 -7.294 1.00 0.00 C ATOM 1917 C ILE B 50 5.193 1.854 -8.486 1.00 0.00 C ATOM 1918 O ILE B 50 6.311 1.360 -8.406 1.00 0.00 O ATOM 1919 CB ILE B 50 3.696 0.414 -7.161 1.00 0.00 C ATOM 1920 CG1 ILE B 50 2.891 0.010 -8.398 1.00 0.00 C ATOM 1921 CG2 ILE B 50 2.846 0.337 -5.932 1.00 0.00 C ATOM 1922 CD1 ILE B 50 2.196 -1.324 -8.251 1.00 0.00 C ATOM 0 H ILE B 50 2.276 2.456 -7.460 1.00 0.00 H new ATOM 0 HA ILE B 50 4.835 2.081 -6.398 1.00 0.00 H new ATOM 0 HB ILE B 50 4.527 -0.287 -7.076 1.00 0.00 H new ATOM 0 HG12 ILE B 50 2.146 0.779 -8.605 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.557 -0.029 -9.260 1.00 0.00 H new ATOM 0 HG21 ILE B 50 2.437 -0.669 -5.835 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.451 0.569 -5.056 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.029 1.055 -6.009 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.644 -1.549 -9.163 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.938 -2.103 -8.074 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.505 -1.283 -7.409 1.00 0.00 H new ATOM 1934 N GLU B 51 4.750 2.445 -9.577 1.00 0.00 N ATOM 1935 CA GLU B 51 5.545 2.463 -10.783 1.00 0.00 C ATOM 1936 C GLU B 51 6.858 3.225 -10.578 1.00 0.00 C ATOM 1937 O GLU B 51 7.744 3.189 -11.429 1.00 0.00 O ATOM 1938 CB GLU B 51 4.746 3.081 -11.927 1.00 0.00 C ATOM 1939 CG GLU B 51 3.594 2.216 -12.406 1.00 0.00 C ATOM 1940 CD GLU B 51 4.051 1.037 -13.237 1.00 0.00 C ATOM 1941 OE1 GLU B 51 4.422 1.240 -14.414 1.00 0.00 O ATOM 1942 OE2 GLU B 51 4.021 -0.100 -12.727 1.00 0.00 O1- ATOM 0 H GLU B 51 3.848 2.916 -9.651 1.00 0.00 H new ATOM 0 HA GLU B 51 5.796 1.433 -11.037 1.00 0.00 H new ATOM 0 HB2 GLU B 51 4.354 4.046 -11.605 1.00 0.00 H new ATOM 0 HB3 GLU B 51 5.417 3.273 -12.764 1.00 0.00 H new ATOM 0 HG2 GLU B 51 3.036 1.852 -11.543 1.00 0.00 H new ATOM 0 HG3 GLU B 51 2.909 2.826 -12.995 1.00 0.00 H new ATOM 1949 N GLN B 52 6.967 3.924 -9.449 1.00 0.00 N ATOM 1950 CA GLN B 52 8.185 4.651 -9.112 1.00 0.00 C ATOM 1951 C GLN B 52 9.030 3.893 -8.083 1.00 0.00 C ATOM 1952 O GLN B 52 10.253 3.819 -8.208 1.00 0.00 O ATOM 1953 CB GLN B 52 7.846 6.040 -8.564 1.00 0.00 C ATOM 1954 CG GLN B 52 7.046 6.904 -9.528 1.00 0.00 C ATOM 1955 CD GLN B 52 6.809 8.309 -9.001 1.00 0.00 C ATOM 1956 OE1 GLN B 52 7.623 8.851 -8.255 1.00 0.00 O ATOM 1957 NE2 GLN B 52 5.685 8.909 -9.370 1.00 0.00 N ATOM 0 H GLN B 52 6.225 4.001 -8.753 1.00 0.00 H new ATOM 0 HA GLN B 52 8.766 4.750 -10.029 1.00 0.00 H new ATOM 0 HB2 GLN B 52 7.281 5.927 -7.638 1.00 0.00 H new ATOM 0 HB3 GLN B 52 8.772 6.556 -8.311 1.00 0.00 H new ATOM 0 HG2 GLN B 52 7.573 6.962 -10.480 1.00 0.00 H new ATOM 0 HG3 GLN B 52 6.085 6.428 -9.724 1.00 0.00 H new ATOM 0 HE21 GLN B 52 5.031 8.431 -9.990 1.00 0.00 H new ATOM 0 HE22 GLN B 52 5.474 9.849 -9.034 1.00 0.00 H new ATOM 1966 N TRP B 53 8.381 3.316 -7.071 1.00 0.00 N ATOM 1967 CA TRP B 53 9.109 2.737 -5.938 1.00 0.00 C ATOM 1968 C TRP B 53 8.757 1.266 -5.679 1.00 0.00 C ATOM 1969 O TRP B 53 9.000 0.742 -4.587 1.00 0.00 O ATOM 1970 CB TRP B 53 8.861 3.563 -4.681 1.00 0.00 C ATOM 1971 CG TRP B 53 7.437 3.961 -4.519 1.00 0.00 C ATOM 1972 CD1 TRP B 53 6.902 5.172 -4.822 1.00 0.00 C ATOM 1973 CD2 TRP B 53 6.361 3.151 -4.031 1.00 0.00 C ATOM 1974 NE1 TRP B 53 5.565 5.169 -4.561 1.00 0.00 N ATOM 1975 CE2 TRP B 53 5.202 3.942 -4.071 1.00 0.00 C ATOM 1976 CE3 TRP B 53 6.262 1.837 -3.568 1.00 0.00 C ATOM 1977 CZ2 TRP B 53 3.961 3.462 -3.668 1.00 0.00 C ATOM 1978 CZ3 TRP B 53 5.032 1.363 -3.164 1.00 0.00 C ATOM 1979 CH2 TRP B 53 3.894 2.174 -3.219 1.00 0.00 C ATOM 0 H TRP B 53 7.366 3.237 -7.011 1.00 0.00 H new ATOM 0 HA TRP B 53 10.167 2.763 -6.200 1.00 0.00 H new ATOM 0 HB2 TRP B 53 9.174 2.990 -3.808 1.00 0.00 H new ATOM 0 HB3 TRP B 53 9.482 4.459 -4.713 1.00 0.00 H new ATOM 0 HD1 TRP B 53 7.455 6.013 -5.212 1.00 0.00 H new ATOM 0 HE1 TRP B 53 4.933 5.956 -4.707 1.00 0.00 H new ATOM 0 HE3 TRP B 53 7.135 1.202 -3.527 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 3.080 4.086 -3.709 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 4.946 0.350 -2.800 1.00 0.00 H new ATOM 0 HH2 TRP B 53 2.943 1.774 -2.900 1.00 0.00 H new ATOM 1990 N PHE B 54 8.181 0.615 -6.670 1.00 0.00 N ATOM 1991 CA PHE B 54 7.900 -0.820 -6.612 1.00 0.00 C ATOM 1992 C PHE B 54 8.293 -1.420 -7.946 1.00 0.00 C ATOM 1993 O PHE B 54 9.123 -2.325 -8.030 1.00 0.00 O ATOM 1994 CB PHE B 54 6.401 -1.064 -6.360 1.00 0.00 C ATOM 1995 CG PHE B 54 6.004 -2.488 -6.023 1.00 0.00 C ATOM 1996 CD1 PHE B 54 6.732 -3.577 -6.483 1.00 0.00 C ATOM 1997 CD2 PHE B 54 4.881 -2.732 -5.241 1.00 0.00 C ATOM 1998 CE1 PHE B 54 6.354 -4.870 -6.169 1.00 0.00 C ATOM 1999 CE2 PHE B 54 4.503 -4.024 -4.928 1.00 0.00 C ATOM 2000 CZ PHE B 54 5.237 -5.092 -5.389 1.00 0.00 C ATOM 0 H PHE B 54 7.892 1.059 -7.542 1.00 0.00 H new ATOM 0 HA PHE B 54 8.462 -1.278 -5.798 1.00 0.00 H new ATOM 0 HB2 PHE B 54 6.080 -0.416 -5.544 1.00 0.00 H new ATOM 0 HB3 PHE B 54 5.849 -0.755 -7.248 1.00 0.00 H new ATOM 0 HD1 PHE B 54 7.606 -3.412 -7.095 1.00 0.00 H new ATOM 0 HD2 PHE B 54 4.297 -1.902 -4.873 1.00 0.00 H new ATOM 0 HE1 PHE B 54 6.933 -5.706 -6.534 1.00 0.00 H new ATOM 0 HE2 PHE B 54 3.628 -4.196 -4.319 1.00 0.00 H new ATOM 0 HZ PHE B 54 4.940 -6.101 -5.142 1.00 0.00 H new ATOM 2010 N THR B 55 7.682 -0.885 -8.979 1.00 0.00 N ATOM 2011 CA THR B 55 7.948 -1.292 -10.329 1.00 0.00 C ATOM 2012 C THR B 55 9.247 -0.664 -10.818 1.00 0.00 C ATOM 2013 O THR B 55 9.304 0.539 -11.076 1.00 0.00 O ATOM 2014 CB THR B 55 6.793 -0.854 -11.242 1.00 0.00 C ATOM 2015 OG1 THR B 55 5.544 -0.981 -10.550 1.00 0.00 O ATOM 2016 CG2 THR B 55 6.749 -1.695 -12.492 1.00 0.00 C ATOM 0 H THR B 55 6.981 -0.149 -8.899 1.00 0.00 H new ATOM 0 HA THR B 55 8.042 -2.378 -10.357 1.00 0.00 H new ATOM 0 HB THR B 55 6.959 0.187 -11.519 1.00 0.00 H new ATOM 0 HG1 THR B 55 4.913 -1.486 -11.104 1.00 0.00 H new ATOM 0 HG21 THR B 55 5.923 -1.366 -13.123 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.687 -1.587 -13.037 1.00 0.00 H new ATOM 0 HG23 THR B 55 6.605 -2.741 -12.222 1.00 0.00 H new ATOM 2024 N GLU B 56 10.298 -1.469 -10.896 1.00 0.00 N ATOM 2025 CA GLU B 56 11.561 -1.014 -11.453 1.00 0.00 C ATOM 2026 C GLU B 56 11.402 -0.844 -12.960 1.00 0.00 C ATOM 2027 O GLU B 56 11.603 -1.787 -13.731 1.00 0.00 O ATOM 2028 CB GLU B 56 12.673 -2.018 -11.134 1.00 0.00 C ATOM 2029 CG GLU B 56 14.073 -1.513 -11.444 1.00 0.00 C ATOM 2030 CD GLU B 56 14.453 -0.293 -10.628 1.00 0.00 C ATOM 2031 OE1 GLU B 56 14.297 -0.325 -9.389 1.00 0.00 O ATOM 2032 OE2 GLU B 56 14.930 0.696 -11.221 1.00 0.00 O1- ATOM 0 H GLU B 56 10.299 -2.439 -10.581 1.00 0.00 H new ATOM 0 HA GLU B 56 11.837 -0.057 -11.010 1.00 0.00 H new ATOM 0 HB2 GLU B 56 12.619 -2.280 -10.077 1.00 0.00 H new ATOM 0 HB3 GLU B 56 12.495 -2.933 -11.699 1.00 0.00 H new ATOM 0 HG2 GLU B 56 14.792 -2.310 -11.254 1.00 0.00 H new ATOM 0 HG3 GLU B 56 14.140 -1.270 -12.504 1.00 0.00 H new ATOM 2039 N ASP B 57 11.002 0.349 -13.369 1.00 0.00 N ATOM 2040 CA ASP B 57 10.632 0.592 -14.754 1.00 0.00 C ATOM 2041 C ASP B 57 11.849 0.933 -15.598 1.00 0.00 C ATOM 2042 O ASP B 57 12.736 1.667 -15.166 1.00 0.00 O ATOM 2043 CB ASP B 57 9.588 1.717 -14.857 1.00 0.00 C ATOM 2044 CG ASP B 57 10.183 3.108 -14.711 1.00 0.00 C ATOM 2045 OD1 ASP B 57 10.415 3.549 -13.566 1.00 0.00 O1- ATOM 2046 OD2 ASP B 57 10.417 3.769 -15.744 1.00 0.00 O ATOM 0 H ASP B 57 10.925 1.165 -12.761 1.00 0.00 H new ATOM 0 HA ASP B 57 10.193 -0.328 -15.139 1.00 0.00 H new ATOM 0 HB2 ASP B 57 9.082 1.646 -15.820 1.00 0.00 H new ATOM 0 HB3 ASP B 57 8.831 1.571 -14.087 1.00 0.00 H new ATOM 2051 N PRO B 58 11.919 0.364 -16.804 1.00 0.00 N ATOM 2052 CA PRO B 58 12.913 0.716 -17.798 1.00 0.00 C ATOM 2053 C PRO B 58 12.358 1.738 -18.784 1.00 0.00 C ATOM 2054 O PRO B 58 12.821 1.846 -19.923 1.00 0.00 O ATOM 2055 CB PRO B 58 13.163 -0.625 -18.482 1.00 0.00 C ATOM 2056 CG PRO B 58 11.862 -1.364 -18.390 1.00 0.00 C ATOM 2057 CD PRO B 58 11.046 -0.714 -17.295 1.00 0.00 C ATOM 0 HA PRO B 58 13.811 1.174 -17.383 1.00 0.00 H new ATOM 0 HB2 PRO B 58 13.464 -0.487 -19.520 1.00 0.00 H new ATOM 0 HB3 PRO B 58 13.964 -1.175 -17.988 1.00 0.00 H new ATOM 0 HG2 PRO B 58 11.330 -1.323 -19.340 1.00 0.00 H new ATOM 0 HG3 PRO B 58 12.034 -2.417 -18.166 1.00 0.00 H new ATOM 0 HD2 PRO B 58 10.103 -0.323 -17.677 1.00 0.00 H new ATOM 0 HD3 PRO B 58 10.801 -1.423 -16.504 1.00 0.00 H new ATOM 2065 N GLY B 59 11.372 2.499 -18.325 1.00 0.00 N ATOM 2066 CA GLY B 59 10.653 3.396 -19.200 1.00 0.00 C ATOM 2067 C GLY B 59 9.481 2.695 -19.860 1.00 0.00 C ATOM 2068 O GLY B 59 8.790 1.901 -19.215 1.00 0.00 O ATOM 0 H GLY B 59 11.058 2.508 -17.355 1.00 0.00 H new ATOM 0 HA2 GLY B 59 10.294 4.253 -18.631 1.00 0.00 H new ATOM 0 HA3 GLY B 59 11.328 3.781 -19.965 1.00 0.00 H new ATOM 2072 N PRO B 60 9.227 2.969 -21.143 1.00 0.00 N ATOM 2073 CA PRO B 60 8.193 2.275 -21.904 1.00 0.00 C ATOM 2074 C PRO B 60 8.639 0.874 -22.316 1.00 0.00 C ATOM 2075 O PRO B 60 8.196 -0.110 -21.685 1.00 0.00 O ATOM 2076 CB PRO B 60 7.992 3.164 -23.131 1.00 0.00 C ATOM 2077 CG PRO B 60 9.288 3.885 -23.310 1.00 0.00 C ATOM 2078 CD PRO B 60 9.920 3.994 -21.946 1.00 0.00 C ATOM 0 HA PRO B 60 7.281 2.128 -21.326 1.00 0.00 H new ATOM 0 HB2 PRO B 60 7.747 2.570 -24.012 1.00 0.00 H new ATOM 0 HB3 PRO B 60 7.170 3.864 -22.980 1.00 0.00 H new ATOM 0 HG2 PRO B 60 9.940 3.343 -23.995 1.00 0.00 H new ATOM 0 HG3 PRO B 60 9.124 4.873 -23.740 1.00 0.00 H new ATOM 0 HD2 PRO B 60 10.993 3.808 -21.988 1.00 0.00 H new ATOM 0 HD3 PRO B 60 9.785 4.990 -21.523 1.00 0.00 H new TER 2086 PRO B 60