USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 728 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: D 71 THR OG1 : rot 143:sc= 0.349 USER MOD Set 1.2: D 74 ASN : amide:sc= 0.288 K(o=0.64,f=-1.8!) USER MOD Set 2.1: D 53 ASN : amide:sc= -3.77! K(o=-4.3!,f=-0.52) USER MOD Set 2.2: D 67 ASN : amide:sc= -0.58 K(o=-4.3,f=-3.2!) USER MOD Set 3.1: D 52 LYS NZ :NH3+ 166:sc= -0.0303 (180deg=-0.286) USER MOD Set 3.2: D 93 GLN : amide:sc= -0.0131 X(o=-0.043,f=-0.35) USER MOD Single : D 1 ASP N :NH3+ -177:sc= -0.143 (180deg=-0.162) USER MOD Single : D 2 ASN : amide:sc= -3.95! C(o=-3.9!,f=-8.4!) USER MOD Single : D 3 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.2!) USER MOD Single : D 4 LYS NZ :NH3+ 142:sc= -1.8! (180deg=-4.19!) USER MOD Single : D 9 GLN : amide:sc= -6.93! C(o=-6.9!,f=-5.4!) USER MOD Single : D 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 11 ASN : amide:sc= -0.599 K(o=-0.6,f=-2.9!) USER MOD Single : D 12 SER OG : rot 180:sc= 0 USER MOD Single : D 14 ASN : amide:sc= -0.0043 K(o=-0.0043,f=-0.69) USER MOD Single : D 15 SER OG : rot -51:sc= 1.24 USER MOD Single : D 17 ASN : amide:sc= -3.21! C(o=-3.2!,f=-11!) USER MOD Single : D 19 LYS NZ :NH3+ 171:sc= -0.555 (180deg=-0.714) USER MOD Single : D 21 ASN : amide:sc= -4.04! C(o=-4!,f=-5.9!) USER MOD Single : D 22 LYS NZ :NH3+ -151:sc= -2.7! (180deg=-3.9!) USER MOD Single : D 24 LYS NZ :NH3+ 133:sc= 1.19 (180deg=-0.106) USER MOD Single : D 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 30 SER OG : rot 180:sc= 0 USER MOD Single : D 31 MET CE :methyl 138:sc= -0.0755 (180deg=-1.65!) USER MOD Single : D 32 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.1) USER MOD Single : D 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 35 GLN : amide:sc= -2.78! K(o=-2.8!,f=-1) USER MOD Single : D 37 LYS NZ :NH3+ -170:sc=-0.00834 (180deg=-0.139) USER MOD Single : D 39 THR OG1 : rot 180:sc= -2.64! USER MOD Single : D 40 SER OG : rot 52:sc= 1.27 USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -1.43! X(o=-1.4!,f=-1.6) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 76:sc= 1.12 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 59 ASN : amide:sc= -1.21 K(o=-1.2,f=-4.3!) USER MOD Single : D 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 64 TYR OH : rot 89:sc= 0.465 USER MOD Single : D 65 THR OG1 : rot 180:sc= 0 USER MOD Single : D 69 LYS NZ :NH3+ -149:sc= -3.12! (180deg=-5.56!) USER MOD Single : D 70 SER OG : rot 140:sc= -0.966 USER MOD Single : D 76 SER OG : rot -145:sc= -0.0126 USER MOD Single : D 77 ASN : amide:sc= -0.0953 K(o=-0.095,f=0.63) USER MOD Single : D 80 ASN : amide:sc= -1.47! K(o=-1.5!,f=0) USER MOD Single : D 81 LYS NZ :NH3+ -136:sc= 0.025 (180deg=0) USER MOD Single : D 83 ASN : amide:sc= -4.41! K(o=-4.4!,f=-0.42) USER MOD Single : D 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ -168:sc= 1.11 (180deg=0.732) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 12.644 5.648 -8.475 1.00 0.00 N ATOM 2 CA ASP D 1 13.511 6.706 -7.897 1.00 0.00 C ATOM 3 C ASP D 1 14.252 6.222 -6.651 1.00 0.00 C ATOM 4 O ASP D 1 15.328 6.726 -6.330 1.00 0.00 O ATOM 5 CB ASP D 1 12.655 7.946 -7.584 1.00 0.00 C ATOM 6 CG ASP D 1 11.458 7.654 -6.705 1.00 0.00 C ATOM 7 OD1 ASP D 1 11.644 7.224 -5.552 1.00 0.00 O ATOM 8 OD2 ASP D 1 10.320 7.854 -7.174 1.00 0.00 O1- ATOM 0 H1 ASP D 1 12.199 6.001 -9.346 1.00 0.00 H new ATOM 0 H2 ASP D 1 13.219 4.810 -8.695 1.00 0.00 H new ATOM 0 H3 ASP D 1 11.906 5.391 -7.789 1.00 0.00 H new ATOM 0 HA ASP D 1 14.274 6.966 -8.630 1.00 0.00 H new ATOM 0 HB2 ASP D 1 13.280 8.694 -7.095 1.00 0.00 H new ATOM 0 HB3 ASP D 1 12.309 8.383 -8.521 1.00 0.00 H new ATOM 13 N ASN D 2 13.677 5.257 -5.943 1.00 0.00 N ATOM 14 CA ASN D 2 14.294 4.732 -4.729 1.00 0.00 C ATOM 15 C ASN D 2 15.290 3.633 -5.081 1.00 0.00 C ATOM 16 O ASN D 2 14.929 2.461 -5.166 1.00 0.00 O ATOM 17 CB ASN D 2 13.214 4.192 -3.783 1.00 0.00 C ATOM 18 CG ASN D 2 13.765 3.759 -2.438 1.00 0.00 C ATOM 19 OD1 ASN D 2 14.599 2.861 -2.347 1.00 0.00 O ATOM 20 ND2 ASN D 2 13.295 4.393 -1.381 1.00 0.00 N ATOM 0 H ASN D 2 12.787 4.823 -6.187 1.00 0.00 H new ATOM 0 HA ASN D 2 14.829 5.537 -4.225 1.00 0.00 H new ATOM 0 HB2 ASN D 2 12.457 4.961 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN D 2 12.716 3.345 -4.255 1.00 0.00 H new ATOM 0 HD21 ASN D 2 13.624 4.143 -0.448 1.00 0.00 H new ATOM 0 HD22 ASN D 2 12.603 5.133 -1.496 1.00 0.00 H new ATOM 27 N GLN D 3 16.529 4.022 -5.345 1.00 0.00 N ATOM 28 CA GLN D 3 17.556 3.069 -5.751 1.00 0.00 C ATOM 29 C GLN D 3 18.502 2.716 -4.608 1.00 0.00 C ATOM 30 O GLN D 3 19.309 1.794 -4.734 1.00 0.00 O ATOM 31 CB GLN D 3 18.355 3.613 -6.937 1.00 0.00 C ATOM 32 CG GLN D 3 17.531 3.809 -8.201 1.00 0.00 C ATOM 33 CD GLN D 3 16.937 2.512 -8.720 1.00 0.00 C ATOM 34 OE1 GLN D 3 16.128 1.871 -8.049 1.00 0.00 O ATOM 35 NE2 GLN D 3 17.345 2.109 -9.912 1.00 0.00 N ATOM 0 H GLN D 3 16.849 4.989 -5.286 1.00 0.00 H new ATOM 0 HA GLN D 3 17.041 2.155 -6.048 1.00 0.00 H new ATOM 0 HB2 GLN D 3 18.801 4.567 -6.655 1.00 0.00 H new ATOM 0 HB3 GLN D 3 19.176 2.929 -7.153 1.00 0.00 H new ATOM 0 HG2 GLN D 3 16.727 4.517 -8.000 1.00 0.00 H new ATOM 0 HG3 GLN D 3 18.159 4.251 -8.974 1.00 0.00 H new ATOM 0 HE21 GLN D 3 18.017 2.669 -10.437 1.00 0.00 H new ATOM 0 HE22 GLN D 3 16.988 1.239 -10.306 1.00 0.00 H new ATOM 44 N LYS D 4 18.435 3.464 -3.511 1.00 0.00 N ATOM 45 CA LYS D 4 19.334 3.231 -2.382 1.00 0.00 C ATOM 46 C LYS D 4 18.648 2.397 -1.312 1.00 0.00 C ATOM 47 O LYS D 4 19.296 1.918 -0.381 1.00 0.00 O ATOM 48 CB LYS D 4 19.808 4.559 -1.784 1.00 0.00 C ATOM 49 CG LYS D 4 20.548 5.452 -2.774 1.00 0.00 C ATOM 50 CD LYS D 4 21.845 4.830 -3.304 1.00 0.00 C ATOM 51 CE LYS D 4 22.967 4.781 -2.265 1.00 0.00 C ATOM 52 NZ LYS D 4 22.692 3.858 -1.130 1.00 0.00 N1+ ATOM 0 H LYS D 4 17.775 4.230 -3.378 1.00 0.00 H new ATOM 0 HA LYS D 4 20.201 2.683 -2.751 1.00 0.00 H new ATOM 0 HB2 LYS D 4 18.945 5.100 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS D 4 20.462 4.352 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS D 4 19.890 5.673 -3.614 1.00 0.00 H new ATOM 0 HG3 LYS D 4 20.780 6.402 -2.292 1.00 0.00 H new ATOM 0 HD2 LYS D 4 21.638 3.818 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS D 4 22.185 5.400 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS D 4 23.891 4.474 -2.755 1.00 0.00 H new ATOM 0 HE3 LYS D 4 23.132 5.785 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 23.571 3.375 -0.855 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 22.328 4.401 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 21.985 3.152 -1.420 1.00 0.00 H new ATOM 66 N ALA D 5 17.337 2.229 -1.467 1.00 0.00 N ATOM 67 CA ALA D 5 16.518 1.446 -0.543 1.00 0.00 C ATOM 68 C ALA D 5 16.568 2.004 0.879 1.00 0.00 C ATOM 69 O ALA D 5 16.513 1.252 1.856 1.00 0.00 O ATOM 70 CB ALA D 5 16.933 -0.018 -0.562 1.00 0.00 C ATOM 0 H ALA D 5 16.810 2.634 -2.241 1.00 0.00 H new ATOM 0 HA ALA D 5 15.485 1.519 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA D 5 16.310 -0.582 0.133 1.00 0.00 H new ATOM 0 HB2 ALA D 5 16.808 -0.419 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA D 5 17.978 -0.104 -0.264 1.00 0.00 H new ATOM 76 N LEU D 6 16.654 3.323 0.991 1.00 0.00 N ATOM 77 CA LEU D 6 16.692 3.979 2.292 1.00 0.00 C ATOM 78 C LEU D 6 15.396 4.749 2.519 1.00 0.00 C ATOM 79 O LEU D 6 14.856 4.774 3.628 1.00 0.00 O ATOM 80 CB LEU D 6 17.929 4.901 2.368 1.00 0.00 C ATOM 81 CG LEU D 6 18.204 5.611 3.709 1.00 0.00 C ATOM 82 CD1 LEU D 6 19.605 6.197 3.711 1.00 0.00 C ATOM 83 CD2 LEU D 6 17.209 6.731 3.973 1.00 0.00 C ATOM 0 H LEU D 6 16.699 3.960 0.196 1.00 0.00 H new ATOM 0 HA LEU D 6 16.778 3.235 3.084 1.00 0.00 H new ATOM 0 HB2 LEU D 6 18.807 4.307 2.115 1.00 0.00 H new ATOM 0 HB3 LEU D 6 17.828 5.665 1.597 1.00 0.00 H new ATOM 0 HG LEU D 6 18.102 4.863 4.495 1.00 0.00 H new ATOM 0 HD11 LEU D 6 19.789 6.696 4.662 1.00 0.00 H new ATOM 0 HD12 LEU D 6 20.334 5.398 3.573 1.00 0.00 H new ATOM 0 HD13 LEU D 6 19.699 6.918 2.899 1.00 0.00 H new ATOM 0 HD21 LEU D 6 17.439 7.204 4.928 1.00 0.00 H new ATOM 0 HD22 LEU D 6 17.274 7.471 3.176 1.00 0.00 H new ATOM 0 HD23 LEU D 6 16.200 6.321 4.005 1.00 0.00 H new ATOM 95 N GLU D 7 14.934 5.427 1.475 1.00 0.00 N ATOM 96 CA GLU D 7 13.748 6.270 1.561 1.00 0.00 C ATOM 97 C GLU D 7 12.478 5.453 1.775 1.00 0.00 C ATOM 98 O GLU D 7 11.405 6.023 1.996 1.00 0.00 O ATOM 99 CB GLU D 7 13.575 7.126 0.296 1.00 0.00 C ATOM 100 CG GLU D 7 14.726 8.075 -0.012 1.00 0.00 C ATOM 101 CD GLU D 7 15.959 7.398 -0.576 1.00 0.00 C ATOM 102 OE1 GLU D 7 16.956 8.106 -0.805 1.00 0.00 O ATOM 103 OE2 GLU D 7 15.927 6.176 -0.827 1.00 0.00 O1- ATOM 0 H GLU D 7 15.367 5.408 0.552 1.00 0.00 H new ATOM 0 HA GLU D 7 13.901 6.918 2.424 1.00 0.00 H new ATOM 0 HB2 GLU D 7 13.437 6.461 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU D 7 12.661 7.711 0.396 1.00 0.00 H new ATOM 0 HG2 GLU D 7 14.382 8.827 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU D 7 15.001 8.602 0.901 1.00 0.00 H new ATOM 110 N GLU D 8 12.569 4.127 1.698 1.00 0.00 N ATOM 111 CA GLU D 8 11.389 3.308 1.872 1.00 0.00 C ATOM 112 C GLU D 8 11.031 3.132 3.343 1.00 0.00 C ATOM 113 O GLU D 8 9.864 2.945 3.674 1.00 0.00 O ATOM 114 CB GLU D 8 11.513 1.967 1.140 1.00 0.00 C ATOM 115 CG GLU D 8 12.819 1.235 1.366 1.00 0.00 C ATOM 116 CD GLU D 8 12.826 -0.130 0.719 1.00 0.00 C ATOM 117 OE1 GLU D 8 13.853 -0.826 0.810 1.00 0.00 O ATOM 118 OE2 GLU D 8 11.794 -0.517 0.135 1.00 0.00 O1- ATOM 0 H GLU D 8 13.432 3.613 1.520 1.00 0.00 H new ATOM 0 HA GLU D 8 10.558 3.841 1.410 1.00 0.00 H new ATOM 0 HB2 GLU D 8 10.693 1.321 1.454 1.00 0.00 H new ATOM 0 HB3 GLU D 8 11.391 2.141 0.071 1.00 0.00 H new ATOM 0 HG2 GLU D 8 13.641 1.829 0.966 1.00 0.00 H new ATOM 0 HG3 GLU D 8 12.994 1.129 2.437 1.00 0.00 H new ATOM 125 N GLN D 9 11.983 3.395 4.230 1.00 0.00 N ATOM 126 CA GLN D 9 11.672 3.457 5.654 1.00 0.00 C ATOM 127 C GLN D 9 11.291 4.885 6.039 1.00 0.00 C ATOM 128 O GLN D 9 11.187 5.206 7.223 1.00 0.00 O ATOM 129 CB GLN D 9 12.858 3.010 6.530 1.00 0.00 C ATOM 130 CG GLN D 9 13.360 1.589 6.284 1.00 0.00 C ATOM 131 CD GLN D 9 14.018 1.423 4.933 1.00 0.00 C ATOM 132 OE1 GLN D 9 15.001 2.094 4.623 1.00 0.00 O ATOM 133 NE2 GLN D 9 13.490 0.530 4.122 1.00 0.00 N ATOM 0 H GLN D 9 12.961 3.566 3.995 1.00 0.00 H new ATOM 0 HA GLN D 9 10.841 2.774 5.830 1.00 0.00 H new ATOM 0 HB2 GLN D 9 13.685 3.701 6.370 1.00 0.00 H new ATOM 0 HB3 GLN D 9 12.567 3.097 7.577 1.00 0.00 H new ATOM 0 HG2 GLN D 9 14.072 1.320 7.065 1.00 0.00 H new ATOM 0 HG3 GLN D 9 12.523 0.895 6.363 1.00 0.00 H new ATOM 0 HE21 GLN D 9 12.674 -0.007 4.416 1.00 0.00 H new ATOM 0 HE22 GLN D 9 13.897 0.375 3.200 1.00 0.00 H new ATOM 142 N MET D 10 11.165 5.760 5.043 1.00 0.00 N ATOM 143 CA MET D 10 10.894 7.172 5.312 1.00 0.00 C ATOM 144 C MET D 10 9.469 7.558 4.948 1.00 0.00 C ATOM 145 O MET D 10 8.611 7.689 5.818 1.00 0.00 O ATOM 146 CB MET D 10 11.887 8.065 4.564 1.00 0.00 C ATOM 147 CG MET D 10 13.330 7.865 4.997 1.00 0.00 C ATOM 148 SD MET D 10 13.575 8.207 6.751 1.00 0.00 S ATOM 149 CE MET D 10 15.331 7.899 6.924 1.00 0.00 C ATOM 0 H MET D 10 11.245 5.521 4.055 1.00 0.00 H new ATOM 0 HA MET D 10 11.015 7.323 6.385 1.00 0.00 H new ATOM 0 HB2 MET D 10 11.806 7.868 3.495 1.00 0.00 H new ATOM 0 HB3 MET D 10 11.612 9.108 4.717 1.00 0.00 H new ATOM 0 HG2 MET D 10 13.632 6.839 4.784 1.00 0.00 H new ATOM 0 HG3 MET D 10 13.977 8.516 4.409 1.00 0.00 H new ATOM 0 HE1 MET D 10 15.630 8.070 7.958 1.00 0.00 H new ATOM 0 HE2 MET D 10 15.548 6.867 6.649 1.00 0.00 H new ATOM 0 HE3 MET D 10 15.885 8.573 6.270 1.00 0.00 H new ATOM 159 N ASN D 11 9.213 7.708 3.655 1.00 0.00 N ATOM 160 CA ASN D 11 7.877 8.043 3.176 1.00 0.00 C ATOM 161 C ASN D 11 7.180 6.839 2.628 1.00 0.00 C ATOM 162 O ASN D 11 5.965 6.770 2.626 1.00 0.00 O ATOM 163 CB ASN D 11 7.900 9.114 2.086 1.00 0.00 C ATOM 164 CG ASN D 11 8.971 8.899 1.029 1.00 0.00 C ATOM 165 OD1 ASN D 11 8.941 7.925 0.277 1.00 0.00 O ATOM 166 ND2 ASN D 11 9.934 9.808 0.968 1.00 0.00 N ATOM 0 H ASN D 11 9.912 7.603 2.919 1.00 0.00 H new ATOM 0 HA ASN D 11 7.340 8.429 4.043 1.00 0.00 H new ATOM 0 HB2 ASN D 11 6.925 9.143 1.600 1.00 0.00 H new ATOM 0 HB3 ASN D 11 8.054 10.088 2.551 1.00 0.00 H new ATOM 0 HD21 ASN D 11 10.682 9.713 0.282 1.00 0.00 H new ATOM 0 HD22 ASN D 11 9.927 10.603 1.608 1.00 0.00 H new ATOM 173 N SER D 12 7.951 6.017 1.973 1.00 0.00 N ATOM 174 CA SER D 12 7.427 4.931 1.184 1.00 0.00 C ATOM 175 C SER D 12 6.303 4.184 1.893 1.00 0.00 C ATOM 176 O SER D 12 5.207 4.017 1.360 1.00 0.00 O ATOM 177 CB SER D 12 8.571 3.976 0.908 1.00 0.00 C ATOM 178 OG SER D 12 8.147 2.813 0.214 1.00 0.00 O ATOM 0 H SER D 12 8.969 6.080 1.970 1.00 0.00 H new ATOM 0 HA SER D 12 7.005 5.337 0.265 1.00 0.00 H new ATOM 0 HB2 SER D 12 9.335 4.487 0.322 1.00 0.00 H new ATOM 0 HB3 SER D 12 9.034 3.685 1.851 1.00 0.00 H new ATOM 0 HG SER D 12 8.917 2.227 0.056 1.00 0.00 H new ATOM 184 N ILE D 13 6.644 3.653 3.048 1.00 0.00 N ATOM 185 CA ILE D 13 5.758 2.801 3.818 1.00 0.00 C ATOM 186 C ILE D 13 4.915 3.626 4.787 1.00 0.00 C ATOM 187 O ILE D 13 3.961 3.138 5.387 1.00 0.00 O ATOM 188 CB ILE D 13 6.615 1.764 4.553 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.454 1.034 3.524 1.00 0.00 C ATOM 190 CG2 ILE D 13 5.773 0.783 5.358 1.00 0.00 C ATOM 191 CD1 ILE D 13 8.395 0.007 4.113 1.00 0.00 C ATOM 0 H ILE D 13 7.554 3.801 3.485 1.00 0.00 H new ATOM 0 HA ILE D 13 5.058 2.290 3.157 1.00 0.00 H new ATOM 0 HB ILE D 13 7.253 2.277 5.273 1.00 0.00 H new ATOM 0 HG12 ILE D 13 6.791 0.539 2.815 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.036 1.764 2.961 1.00 0.00 H new ATOM 0 HG21 ILE D 13 6.426 0.069 5.860 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.191 1.328 6.102 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.098 0.249 4.689 1.00 0.00 H new ATOM 0 HD11 ILE D 13 8.959 -0.471 3.312 1.00 0.00 H new ATOM 0 HD12 ILE D 13 9.085 0.497 4.800 1.00 0.00 H new ATOM 0 HD13 ILE D 13 7.820 -0.746 4.652 1.00 0.00 H new ATOM 203 N ASN D 14 5.233 4.901 4.872 1.00 0.00 N ATOM 204 CA ASN D 14 4.446 5.824 5.694 1.00 0.00 C ATOM 205 C ASN D 14 3.374 6.547 4.872 1.00 0.00 C ATOM 206 O ASN D 14 2.177 6.429 5.153 1.00 0.00 O ATOM 207 CB ASN D 14 5.339 6.848 6.398 1.00 0.00 C ATOM 208 CG ASN D 14 6.260 6.216 7.423 1.00 0.00 C ATOM 209 OD1 ASN D 14 7.082 5.358 7.095 1.00 0.00 O ATOM 210 ND2 ASN D 14 6.132 6.639 8.672 1.00 0.00 N ATOM 0 H ASN D 14 6.023 5.329 4.389 1.00 0.00 H new ATOM 0 HA ASN D 14 3.947 5.218 6.450 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.937 7.374 5.654 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.713 7.593 6.889 1.00 0.00 H new ATOM 0 HD21 ASN D 14 6.727 6.252 9.405 1.00 0.00 H new ATOM 0 HD22 ASN D 14 5.439 7.351 8.901 1.00 0.00 H new ATOM 217 N SER D 15 3.800 7.308 3.866 1.00 0.00 N ATOM 218 CA SER D 15 2.871 8.057 3.030 1.00 0.00 C ATOM 219 C SER D 15 1.984 7.122 2.221 1.00 0.00 C ATOM 220 O SER D 15 0.896 7.511 1.803 1.00 0.00 O ATOM 221 CB SER D 15 3.604 9.024 2.097 1.00 0.00 C ATOM 222 OG SER D 15 4.441 8.338 1.179 1.00 0.00 O ATOM 0 H SER D 15 4.781 7.421 3.612 1.00 0.00 H new ATOM 0 HA SER D 15 2.241 8.643 3.700 1.00 0.00 H new ATOM 0 HB2 SER D 15 2.876 9.622 1.548 1.00 0.00 H new ATOM 0 HB3 SER D 15 4.204 9.716 2.689 1.00 0.00 H new ATOM 0 HG SER D 15 5.015 7.711 1.666 1.00 0.00 H new ATOM 228 N VAL D 16 2.405 5.858 2.082 1.00 0.00 N ATOM 229 CA VAL D 16 1.582 4.849 1.418 1.00 0.00 C ATOM 230 C VAL D 16 0.217 4.787 2.084 1.00 0.00 C ATOM 231 O VAL D 16 -0.803 4.581 1.427 1.00 0.00 O ATOM 232 CB VAL D 16 2.231 3.435 1.458 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.373 2.924 2.876 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.430 2.438 0.639 1.00 0.00 C ATOM 0 H VAL D 16 3.305 5.515 2.419 1.00 0.00 H new ATOM 0 HA VAL D 16 1.489 5.144 0.373 1.00 0.00 H new ATOM 0 HB VAL D 16 3.226 3.535 1.023 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.830 1.934 2.862 1.00 0.00 H new ATOM 0 HG12 VAL D 16 3.002 3.606 3.447 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.389 2.863 3.341 1.00 0.00 H new ATOM 0 HG21 VAL D 16 1.909 1.460 0.687 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.419 2.367 1.040 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.387 2.771 -0.398 1.00 0.00 H new ATOM 244 N ASN D 17 0.221 4.965 3.394 1.00 0.00 N ATOM 245 CA ASN D 17 -0.989 4.908 4.180 1.00 0.00 C ATOM 246 C ASN D 17 -1.796 6.173 4.009 1.00 0.00 C ATOM 247 O ASN D 17 -3.004 6.160 4.132 1.00 0.00 O ATOM 248 CB ASN D 17 -0.643 4.688 5.645 1.00 0.00 C ATOM 249 CG ASN D 17 0.145 3.416 5.825 1.00 0.00 C ATOM 250 OD1 ASN D 17 -0.257 2.368 5.339 1.00 0.00 O ATOM 251 ND2 ASN D 17 1.267 3.496 6.523 1.00 0.00 N ATOM 0 H ASN D 17 1.064 5.152 3.937 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.595 4.072 3.831 1.00 0.00 H new ATOM 0 HB2 ASN D 17 -0.066 5.534 6.018 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.558 4.641 6.236 1.00 0.00 H new ATOM 0 HD21 ASN D 17 1.834 2.662 6.674 1.00 0.00 H new ATOM 0 HD22 ASN D 17 1.564 4.392 6.910 1.00 0.00 H new ATOM 258 N ASP D 18 -1.120 7.265 3.714 1.00 0.00 N ATOM 259 CA ASP D 18 -1.779 8.546 3.513 1.00 0.00 C ATOM 260 C ASP D 18 -2.666 8.568 2.262 1.00 0.00 C ATOM 261 O ASP D 18 -3.580 9.389 2.168 1.00 0.00 O ATOM 262 CB ASP D 18 -0.727 9.642 3.408 1.00 0.00 C ATOM 263 CG ASP D 18 -0.004 9.890 4.710 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.619 8.950 5.231 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.065 11.028 5.217 1.00 0.00 O1- ATOM 0 H ASP D 18 -0.106 7.293 3.607 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.429 8.715 4.371 1.00 0.00 H new ATOM 0 HB2 ASP D 18 -0.001 9.370 2.642 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.204 10.566 3.081 1.00 0.00 H new ATOM 270 N LYS D 19 -2.482 7.602 1.365 1.00 0.00 N ATOM 271 CA LYS D 19 -3.383 7.467 0.210 1.00 0.00 C ATOM 272 C LYS D 19 -4.504 6.548 0.571 1.00 0.00 C ATOM 273 O LYS D 19 -5.564 6.563 -0.032 1.00 0.00 O ATOM 274 CB LYS D 19 -2.717 6.881 -1.034 1.00 0.00 C ATOM 275 CG LYS D 19 -1.636 7.752 -1.662 1.00 0.00 C ATOM 276 CD LYS D 19 -0.359 7.792 -0.858 1.00 0.00 C ATOM 277 CE LYS D 19 0.381 6.469 -0.934 1.00 0.00 C ATOM 278 NZ LYS D 19 0.793 6.131 -2.324 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.734 6.910 1.408 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.715 8.478 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.279 5.918 -0.772 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -3.486 6.689 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.416 7.380 -2.663 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -2.017 8.767 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS D 19 0.282 8.592 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.588 8.024 0.182 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.264 6.512 -0.296 1.00 0.00 H new ATOM 0 HE3 LYS D 19 -0.256 5.676 -0.543 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 1.422 5.303 -2.308 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 -0.050 5.914 -2.893 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.295 6.939 -2.744 1.00 0.00 H new ATOM 292 N LEU D 20 -4.188 5.652 1.463 1.00 0.00 N ATOM 293 CA LEU D 20 -5.084 4.597 1.828 1.00 0.00 C ATOM 294 C LEU D 20 -6.076 5.102 2.867 1.00 0.00 C ATOM 295 O LEU D 20 -7.267 4.800 2.831 1.00 0.00 O ATOM 296 CB LEU D 20 -4.251 3.467 2.396 1.00 0.00 C ATOM 297 CG LEU D 20 -3.201 2.906 1.432 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.304 1.900 2.129 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.874 2.273 0.224 1.00 0.00 C ATOM 0 H LEU D 20 -3.297 5.635 1.959 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.649 4.249 0.963 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.748 3.820 3.296 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.916 2.659 2.699 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.578 3.733 1.091 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.568 1.518 1.422 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.791 2.384 2.960 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.908 1.075 2.506 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -3.114 1.879 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.523 1.461 0.553 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.468 3.024 -0.297 1.00 0.00 H new ATOM 311 N ASN D 21 -5.543 5.898 3.778 1.00 0.00 N ATOM 312 CA ASN D 21 -6.302 6.519 4.848 1.00 0.00 C ATOM 313 C ASN D 21 -7.076 7.728 4.329 1.00 0.00 C ATOM 314 O ASN D 21 -6.492 8.802 4.180 1.00 0.00 O ATOM 315 CB ASN D 21 -5.332 6.965 5.956 1.00 0.00 C ATOM 316 CG ASN D 21 -4.875 5.819 6.840 1.00 0.00 C ATOM 317 OD1 ASN D 21 -5.686 5.158 7.482 1.00 0.00 O ATOM 318 ND2 ASN D 21 -3.576 5.577 6.883 1.00 0.00 N ATOM 0 H ASN D 21 -4.551 6.135 3.794 1.00 0.00 H new ATOM 0 HA ASN D 21 -7.016 5.796 5.243 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.460 7.435 5.501 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.817 7.722 6.573 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.217 4.819 7.464 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -2.932 6.148 6.335 1.00 0.00 H new ATOM 325 N LYS D 22 -8.334 7.548 3.906 1.00 0.00 N ATOM 326 CA LYS D 22 -9.014 8.676 3.248 1.00 0.00 C ATOM 327 C LYS D 22 -10.342 9.103 3.877 1.00 0.00 C ATOM 328 O LYS D 22 -10.623 10.301 3.950 1.00 0.00 O ATOM 329 CB LYS D 22 -9.211 8.400 1.759 1.00 0.00 C ATOM 330 CG LYS D 22 -7.901 8.157 1.027 1.00 0.00 C ATOM 331 CD LYS D 22 -8.066 8.078 -0.486 1.00 0.00 C ATOM 332 CE LYS D 22 -8.262 9.446 -1.137 1.00 0.00 C ATOM 333 NZ LYS D 22 -9.457 10.178 -0.638 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.876 6.689 3.997 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.339 9.519 3.396 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.857 7.530 1.638 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -9.726 9.245 1.302 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.203 8.958 1.269 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.458 7.229 1.387 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -7.187 7.599 -0.917 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -8.921 7.444 -0.720 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -7.374 10.053 -0.960 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -8.350 9.316 -2.216 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -9.819 10.802 -1.387 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -10.195 9.496 -0.369 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -9.194 10.748 0.191 1.00 0.00 H new ATOM 347 N GLY D 23 -11.199 8.161 4.243 1.00 0.00 N ATOM 348 CA GLY D 23 -12.495 8.545 4.740 1.00 0.00 C ATOM 349 C GLY D 23 -13.440 7.382 4.943 1.00 0.00 C ATOM 350 O GLY D 23 -13.720 7.020 6.086 1.00 0.00 O ATOM 0 H GLY D 23 -11.022 7.157 4.205 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -12.370 9.069 5.688 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.947 9.251 4.043 1.00 0.00 H new ATOM 354 N LYS D 24 -13.928 6.793 3.840 1.00 0.00 N ATOM 355 CA LYS D 24 -14.843 5.649 3.921 1.00 0.00 C ATOM 356 C LYS D 24 -14.143 4.569 4.718 1.00 0.00 C ATOM 357 O LYS D 24 -14.456 4.311 5.879 1.00 0.00 O ATOM 358 CB LYS D 24 -15.149 5.078 2.526 1.00 0.00 C ATOM 359 CG LYS D 24 -16.508 4.408 2.379 1.00 0.00 C ATOM 360 CD LYS D 24 -17.646 5.395 2.603 1.00 0.00 C ATOM 361 CE LYS D 24 -18.996 4.800 2.227 1.00 0.00 C ATOM 362 NZ LYS D 24 -19.294 3.549 2.975 1.00 0.00 N1+ ATOM 0 H LYS D 24 -13.705 7.089 2.890 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.778 5.970 4.380 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.081 5.886 1.798 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.376 4.353 2.271 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.594 3.972 1.384 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -16.590 3.589 3.094 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.662 5.699 3.650 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -17.468 6.294 2.013 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -19.780 5.532 2.423 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -19.013 4.593 1.157 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -20.263 3.591 3.350 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -19.205 2.733 2.336 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -18.623 3.447 3.763 1.00 0.00 H new ATOM 376 N GLY D 25 -13.077 4.074 4.117 1.00 0.00 N ATOM 377 CA GLY D 25 -12.184 3.178 4.776 1.00 0.00 C ATOM 378 C GLY D 25 -10.761 3.544 4.470 1.00 0.00 C ATOM 379 O GLY D 25 -10.501 4.525 3.773 1.00 0.00 O ATOM 0 H GLY D 25 -12.817 4.291 3.155 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.352 3.212 5.852 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.381 2.155 4.455 1.00 0.00 H new ATOM 383 N LYS D 26 -9.852 2.887 5.146 1.00 0.00 N ATOM 384 CA LYS D 26 -8.457 3.270 5.113 1.00 0.00 C ATOM 385 C LYS D 26 -7.549 2.075 5.258 1.00 0.00 C ATOM 386 O LYS D 26 -7.981 1.035 5.716 1.00 0.00 O ATOM 387 CB LYS D 26 -8.240 4.226 6.234 1.00 0.00 C ATOM 388 CG LYS D 26 -9.020 3.801 7.433 1.00 0.00 C ATOM 389 CD LYS D 26 -9.060 4.895 8.471 1.00 0.00 C ATOM 390 CE LYS D 26 -9.670 6.150 7.874 1.00 0.00 C ATOM 391 NZ LYS D 26 -9.896 7.203 8.893 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.053 2.077 5.732 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.219 3.727 4.153 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.179 4.274 6.480 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.543 5.228 5.931 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.036 3.540 7.136 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.573 2.904 7.862 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.644 4.570 9.332 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.052 5.105 8.830 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -9.013 6.536 7.095 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.617 5.900 7.397 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -10.313 8.041 8.440 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -10.544 6.846 9.624 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -8.989 7.462 9.331 1.00 0.00 H new ATOM 405 N LEU D 27 -6.295 2.223 4.879 1.00 0.00 N ATOM 406 CA LEU D 27 -5.347 1.132 4.992 1.00 0.00 C ATOM 407 C LEU D 27 -4.013 1.591 5.580 1.00 0.00 C ATOM 408 O LEU D 27 -3.580 2.722 5.368 1.00 0.00 O ATOM 409 CB LEU D 27 -5.170 0.476 3.637 1.00 0.00 C ATOM 410 CG LEU D 27 -4.037 -0.540 3.531 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.220 -1.678 4.520 1.00 0.00 C ATOM 412 CD2 LEU D 27 -3.940 -1.092 2.117 1.00 0.00 C ATOM 0 H LEU D 27 -5.910 3.084 4.492 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.746 0.395 5.689 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.103 -0.020 3.371 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -5.002 1.257 2.896 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.109 -0.022 3.774 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.396 -2.384 4.419 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.234 -1.280 5.535 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.162 -2.188 4.318 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.126 -1.815 2.064 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.877 -1.581 1.852 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.747 -0.276 1.420 1.00 0.00 H new ATOM 424 N SER D 28 -3.400 0.706 6.352 1.00 0.00 N ATOM 425 CA SER D 28 -2.141 0.977 7.021 1.00 0.00 C ATOM 426 C SER D 28 -1.202 -0.198 6.832 1.00 0.00 C ATOM 427 O SER D 28 -1.621 -1.348 6.941 1.00 0.00 O ATOM 428 CB SER D 28 -2.375 1.173 8.517 1.00 0.00 C ATOM 429 OG SER D 28 -1.180 1.553 9.183 1.00 0.00 O ATOM 0 H SER D 28 -3.768 -0.228 6.532 1.00 0.00 H new ATOM 0 HA SER D 28 -1.706 1.880 6.594 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.137 1.937 8.671 1.00 0.00 H new ATOM 0 HB3 SER D 28 -2.757 0.249 8.951 1.00 0.00 H new ATOM 0 HG SER D 28 -1.362 1.673 10.139 1.00 0.00 H new ATOM 435 N LEU D 29 0.066 0.083 6.590 1.00 0.00 N ATOM 436 CA LEU D 29 1.045 -0.972 6.437 1.00 0.00 C ATOM 437 C LEU D 29 2.255 -0.673 7.305 1.00 0.00 C ATOM 438 O LEU D 29 2.806 0.426 7.250 1.00 0.00 O ATOM 439 CB LEU D 29 1.487 -1.089 4.991 1.00 0.00 C ATOM 440 CG LEU D 29 0.346 -1.080 3.981 1.00 0.00 C ATOM 441 CD1 LEU D 29 0.877 -0.883 2.572 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.441 -2.372 4.051 1.00 0.00 C ATOM 0 H LEU D 29 0.438 1.028 6.496 1.00 0.00 H new ATOM 0 HA LEU D 29 0.588 -1.913 6.743 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.164 -0.266 4.763 1.00 0.00 H new ATOM 0 HB3 LEU D 29 2.055 -2.012 4.871 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.314 -0.249 4.230 1.00 0.00 H new ATOM 0 HD11 LEU D 29 0.046 -0.880 1.867 1.00 0.00 H new ATOM 0 HD12 LEU D 29 1.407 0.068 2.512 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.560 -1.695 2.324 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -1.251 -2.345 3.322 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.218 -3.212 3.830 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -0.857 -2.491 5.051 1.00 0.00 H new ATOM 454 N SER D 30 2.676 -1.650 8.078 1.00 0.00 N ATOM 455 CA SER D 30 3.839 -1.499 8.936 1.00 0.00 C ATOM 456 C SER D 30 4.733 -2.719 8.812 1.00 0.00 C ATOM 457 O SER D 30 4.346 -3.708 8.195 1.00 0.00 O ATOM 458 CB SER D 30 3.404 -1.309 10.392 1.00 0.00 C ATOM 459 OG SER D 30 2.579 -0.162 10.531 1.00 0.00 O ATOM 0 H SER D 30 2.229 -2.565 8.132 1.00 0.00 H new ATOM 0 HA SER D 30 4.397 -0.617 8.622 1.00 0.00 H new ATOM 0 HB2 SER D 30 2.864 -2.193 10.732 1.00 0.00 H new ATOM 0 HB3 SER D 30 4.284 -1.208 11.028 1.00 0.00 H new ATOM 0 HG SER D 30 2.313 -0.062 11.469 1.00 0.00 H new ATOM 465 N MET D 31 5.894 -2.682 9.443 1.00 0.00 N ATOM 466 CA MET D 31 6.778 -3.834 9.436 1.00 0.00 C ATOM 467 C MET D 31 7.390 -4.079 10.802 1.00 0.00 C ATOM 468 O MET D 31 8.155 -3.265 11.328 1.00 0.00 O ATOM 469 CB MET D 31 7.873 -3.701 8.373 1.00 0.00 C ATOM 470 CG MET D 31 8.745 -2.465 8.528 1.00 0.00 C ATOM 471 SD MET D 31 10.022 -2.358 7.261 1.00 0.00 S ATOM 472 CE MET D 31 10.833 -0.834 7.734 1.00 0.00 C ATOM 0 H MET D 31 6.244 -1.876 9.961 1.00 0.00 H new ATOM 0 HA MET D 31 6.165 -4.699 9.182 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.508 -4.586 8.408 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.407 -3.682 7.388 1.00 0.00 H new ATOM 0 HG2 MET D 31 8.118 -1.574 8.484 1.00 0.00 H new ATOM 0 HG3 MET D 31 9.214 -2.476 9.512 1.00 0.00 H new ATOM 0 HE1 MET D 31 11.913 -0.955 7.649 1.00 0.00 H new ATOM 0 HE2 MET D 31 10.505 -0.028 7.077 1.00 0.00 H new ATOM 0 HE3 MET D 31 10.575 -0.589 8.764 1.00 0.00 H new ATOM 482 N ASN D 32 7.138 -5.271 11.301 1.00 0.00 N ATOM 483 CA ASN D 32 7.749 -5.739 12.530 1.00 0.00 C ATOM 484 C ASN D 32 9.022 -6.489 12.167 1.00 0.00 C ATOM 485 O ASN D 32 8.970 -7.666 11.808 1.00 0.00 O ATOM 486 CB ASN D 32 6.780 -6.664 13.279 1.00 0.00 C ATOM 487 CG ASN D 32 7.309 -7.090 14.637 1.00 0.00 C ATOM 488 OD1 ASN D 32 8.342 -7.755 14.738 1.00 0.00 O ATOM 489 ND2 ASN D 32 6.612 -6.698 15.691 1.00 0.00 N ATOM 0 H ASN D 32 6.505 -5.943 10.868 1.00 0.00 H new ATOM 0 HA ASN D 32 7.984 -4.897 13.181 1.00 0.00 H new ATOM 0 HB2 ASN D 32 5.825 -6.155 13.409 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.589 -7.550 12.674 1.00 0.00 H new ATOM 0 HD21 ASN D 32 6.925 -6.945 16.630 1.00 0.00 H new ATOM 0 HD22 ASN D 32 5.762 -6.149 15.565 1.00 0.00 H new ATOM 496 N GLY D 33 10.123 -5.758 12.072 1.00 0.00 N ATOM 497 CA GLY D 33 11.341 -6.339 11.531 1.00 0.00 C ATOM 498 C GLY D 33 11.276 -6.419 10.020 1.00 0.00 C ATOM 499 O GLY D 33 11.351 -5.398 9.337 1.00 0.00 O ATOM 0 H GLY D 33 10.198 -4.781 12.356 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.200 -5.738 11.831 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.489 -7.336 11.946 1.00 0.00 H new ATOM 503 N ASN D 34 11.012 -7.611 9.503 1.00 0.00 N ATOM 504 CA ASN D 34 10.796 -7.794 8.072 1.00 0.00 C ATOM 505 C ASN D 34 9.406 -8.364 7.828 1.00 0.00 C ATOM 506 O ASN D 34 9.198 -9.174 6.921 1.00 0.00 O ATOM 507 CB ASN D 34 11.856 -8.725 7.479 1.00 0.00 C ATOM 508 CG ASN D 34 13.253 -8.163 7.619 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.548 -7.071 7.133 1.00 0.00 O ATOM 510 ND2 ASN D 34 14.125 -8.903 8.286 1.00 0.00 N ATOM 0 H ASN D 34 10.942 -8.467 10.053 1.00 0.00 H new ATOM 0 HA ASN D 34 10.878 -6.824 7.582 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.805 -9.694 7.975 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.639 -8.895 6.425 1.00 0.00 H new ATOM 0 HD21 ASN D 34 15.082 -8.574 8.413 1.00 0.00 H new ATOM 0 HD22 ASN D 34 13.840 -9.803 8.673 1.00 0.00 H new ATOM 517 N GLN D 35 8.482 -8.002 8.707 1.00 0.00 N ATOM 518 CA GLN D 35 7.126 -8.535 8.672 1.00 0.00 C ATOM 519 C GLN D 35 6.136 -7.452 8.278 1.00 0.00 C ATOM 520 O GLN D 35 5.969 -6.475 8.998 1.00 0.00 O ATOM 521 CB GLN D 35 6.757 -9.062 10.050 1.00 0.00 C ATOM 522 CG GLN D 35 5.396 -9.736 10.114 1.00 0.00 C ATOM 523 CD GLN D 35 5.042 -10.220 11.507 1.00 0.00 C ATOM 524 OE1 GLN D 35 3.972 -10.785 11.725 1.00 0.00 O ATOM 525 NE2 GLN D 35 5.935 -9.999 12.461 1.00 0.00 N ATOM 0 H GLN D 35 8.649 -7.335 9.460 1.00 0.00 H new ATOM 0 HA GLN D 35 7.086 -9.338 7.936 1.00 0.00 H new ATOM 0 HB2 GLN D 35 7.518 -9.773 10.371 1.00 0.00 H new ATOM 0 HB3 GLN D 35 6.774 -8.235 10.760 1.00 0.00 H new ATOM 0 HG2 GLN D 35 4.633 -9.036 9.773 1.00 0.00 H new ATOM 0 HG3 GLN D 35 5.382 -10.582 9.427 1.00 0.00 H new ATOM 0 HE21 GLN D 35 6.812 -9.527 12.240 1.00 0.00 H new ATOM 0 HE22 GLN D 35 5.746 -10.301 13.417 1.00 0.00 H new ATOM 534 N LEU D 36 5.458 -7.644 7.163 1.00 0.00 N ATOM 535 CA LEU D 36 4.461 -6.685 6.705 1.00 0.00 C ATOM 536 C LEU D 36 3.162 -6.859 7.467 1.00 0.00 C ATOM 537 O LEU D 36 2.762 -7.979 7.788 1.00 0.00 O ATOM 538 CB LEU D 36 4.279 -6.839 5.196 1.00 0.00 C ATOM 539 CG LEU D 36 3.224 -5.962 4.481 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.804 -6.397 4.802 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.406 -4.492 4.824 1.00 0.00 C ATOM 0 H LEU D 36 5.577 -8.454 6.555 1.00 0.00 H new ATOM 0 HA LEU D 36 4.801 -5.668 6.904 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.243 -6.646 4.726 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.031 -7.882 4.998 1.00 0.00 H new ATOM 0 HG LEU D 36 3.382 -6.097 3.411 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.099 -5.752 4.278 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.659 -7.429 4.483 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.635 -6.322 5.876 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.650 -3.901 4.307 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.301 -4.354 5.900 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.398 -4.166 4.512 1.00 0.00 H new ATOM 553 N LYS D 37 2.596 -5.733 7.873 1.00 0.00 N ATOM 554 CA LYS D 37 1.439 -5.726 8.742 1.00 0.00 C ATOM 555 C LYS D 37 0.407 -4.727 8.237 1.00 0.00 C ATOM 556 O LYS D 37 0.548 -3.518 8.438 1.00 0.00 O ATOM 557 CB LYS D 37 1.887 -5.330 10.153 1.00 0.00 C ATOM 558 CG LYS D 37 3.099 -6.116 10.654 1.00 0.00 C ATOM 559 CD LYS D 37 2.808 -7.596 10.887 1.00 0.00 C ATOM 560 CE LYS D 37 1.752 -7.837 11.959 1.00 0.00 C ATOM 561 NZ LYS D 37 2.145 -7.255 13.269 1.00 0.00 N1+ ATOM 0 H LYS D 37 2.927 -4.805 7.609 1.00 0.00 H new ATOM 0 HA LYS D 37 0.987 -6.718 8.755 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.124 -4.266 10.165 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.057 -5.479 10.844 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.908 -6.022 9.930 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.451 -5.672 11.585 1.00 0.00 H new ATOM 0 HD2 LYS D 37 2.477 -8.046 9.951 1.00 0.00 H new ATOM 0 HD3 LYS D 37 3.730 -8.100 11.174 1.00 0.00 H new ATOM 0 HE2 LYS D 37 0.805 -7.403 11.639 1.00 0.00 H new ATOM 0 HE3 LYS D 37 1.589 -8.909 12.073 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 1.488 -7.583 14.006 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 3.111 -7.557 13.507 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 2.111 -6.217 13.212 1.00 0.00 H new ATOM 575 N ALA D 38 -0.598 -5.231 7.547 1.00 0.00 N ATOM 576 CA ALA D 38 -1.626 -4.388 6.965 1.00 0.00 C ATOM 577 C ALA D 38 -2.857 -4.321 7.837 1.00 0.00 C ATOM 578 O ALA D 38 -3.297 -5.320 8.406 1.00 0.00 O ATOM 579 CB ALA D 38 -2.003 -4.903 5.597 1.00 0.00 C ATOM 0 H ALA D 38 -0.725 -6.228 7.375 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.217 -3.381 6.882 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.775 -4.264 5.168 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.125 -4.896 4.951 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.381 -5.922 5.683 1.00 0.00 H new ATOM 585 N THR D 39 -3.430 -3.137 7.890 1.00 0.00 N ATOM 586 CA THR D 39 -4.643 -2.890 8.637 1.00 0.00 C ATOM 587 C THR D 39 -5.526 -1.884 7.910 1.00 0.00 C ATOM 588 O THR D 39 -5.109 -0.764 7.642 1.00 0.00 O ATOM 589 CB THR D 39 -4.294 -2.380 10.039 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.280 -1.393 9.972 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.825 -3.461 10.991 1.00 0.00 C ATOM 0 H THR D 39 -3.064 -2.314 7.412 1.00 0.00 H new ATOM 0 HA THR D 39 -5.197 -3.825 8.727 1.00 0.00 H new ATOM 0 HB THR D 39 -5.226 -1.971 10.429 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.071 -1.077 10.876 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.598 -3.018 11.961 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.610 -4.208 11.108 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.929 -3.935 10.590 1.00 0.00 H new ATOM 599 N SER D 40 -6.796 -2.206 7.791 1.00 0.00 N ATOM 600 CA SER D 40 -7.770 -1.241 7.328 1.00 0.00 C ATOM 601 C SER D 40 -8.575 -0.821 8.524 1.00 0.00 C ATOM 602 O SER D 40 -9.060 -1.660 9.288 1.00 0.00 O ATOM 603 CB SER D 40 -8.681 -1.833 6.256 1.00 0.00 C ATOM 604 OG SER D 40 -9.695 -0.915 5.869 1.00 0.00 O ATOM 0 H SER D 40 -7.178 -3.127 8.008 1.00 0.00 H new ATOM 0 HA SER D 40 -7.265 -0.389 6.873 1.00 0.00 H new ATOM 0 HB2 SER D 40 -8.087 -2.110 5.385 1.00 0.00 H new ATOM 0 HB3 SER D 40 -9.141 -2.747 6.632 1.00 0.00 H new ATOM 0 HG SER D 40 -9.286 -0.058 5.627 1.00 0.00 H new ATOM 610 N SER D 41 -8.673 0.467 8.726 1.00 0.00 N ATOM 611 CA SER D 41 -9.377 0.959 9.889 1.00 0.00 C ATOM 612 C SER D 41 -10.809 1.216 9.497 1.00 0.00 C ATOM 613 O SER D 41 -11.080 1.451 8.310 1.00 0.00 O ATOM 614 CB SER D 41 -8.722 2.220 10.454 1.00 0.00 C ATOM 615 OG SER D 41 -9.416 2.688 11.600 1.00 0.00 O ATOM 0 H SER D 41 -8.284 1.185 8.115 1.00 0.00 H new ATOM 0 HA SER D 41 -9.337 0.212 10.682 1.00 0.00 H new ATOM 0 HB2 SER D 41 -7.685 2.009 10.714 1.00 0.00 H new ATOM 0 HB3 SER D 41 -8.707 2.998 9.691 1.00 0.00 H new ATOM 0 HG SER D 41 -8.976 3.494 11.943 1.00 0.00 H new ATOM 621 N ASN D 42 -11.722 0.921 10.432 1.00 0.00 N ATOM 622 CA ASN D 42 -13.151 0.861 10.134 1.00 0.00 C ATOM 623 C ASN D 42 -13.513 -0.480 9.475 1.00 0.00 C ATOM 624 O ASN D 42 -14.636 -0.965 9.628 1.00 0.00 O ATOM 625 CB ASN D 42 -13.565 2.064 9.289 1.00 0.00 C ATOM 626 CG ASN D 42 -14.876 1.869 8.592 1.00 0.00 C ATOM 627 OD1 ASN D 42 -15.922 1.675 9.213 1.00 0.00 O ATOM 628 ND2 ASN D 42 -14.810 1.905 7.283 1.00 0.00 N ATOM 0 H ASN D 42 -11.490 0.720 11.405 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.715 0.913 11.065 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.627 2.945 9.928 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -12.792 2.263 8.547 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -15.653 1.768 6.726 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -13.915 2.070 6.822 1.00 0.00 H new ATOM 635 N ALA D 43 -12.476 -1.179 8.998 1.00 0.00 N ATOM 636 CA ALA D 43 -12.572 -2.592 8.610 1.00 0.00 C ATOM 637 C ALA D 43 -13.565 -2.886 7.480 1.00 0.00 C ATOM 638 O ALA D 43 -14.397 -3.780 7.626 1.00 0.00 O ATOM 639 CB ALA D 43 -12.906 -3.450 9.823 1.00 0.00 C ATOM 0 H ALA D 43 -11.546 -0.781 8.870 1.00 0.00 H new ATOM 0 HA ALA D 43 -11.589 -2.846 8.213 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -12.974 -4.495 9.522 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -12.123 -3.339 10.574 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -13.860 -3.131 10.243 1.00 0.00 H new ATOM 645 N GLY D 44 -13.342 -2.334 6.290 1.00 0.00 N ATOM 646 CA GLY D 44 -14.101 -2.816 5.150 1.00 0.00 C ATOM 647 C GLY D 44 -14.880 -1.761 4.407 1.00 0.00 C ATOM 648 O GLY D 44 -15.907 -2.065 3.806 1.00 0.00 O ATOM 0 H GLY D 44 -12.674 -1.588 6.098 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.414 -3.296 4.453 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -14.795 -3.583 5.494 1.00 0.00 H new ATOM 652 N TYR D 45 -14.334 -0.566 4.321 1.00 0.00 N ATOM 653 CA TYR D 45 -14.920 0.476 3.493 1.00 0.00 C ATOM 654 C TYR D 45 -13.896 0.946 2.468 1.00 0.00 C ATOM 655 O TYR D 45 -12.714 0.624 2.579 1.00 0.00 O ATOM 656 CB TYR D 45 -15.406 1.649 4.346 1.00 0.00 C ATOM 657 CG TYR D 45 -16.702 1.404 5.120 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.591 2.444 5.384 1.00 0.00 C ATOM 659 CD2 TYR D 45 -17.037 0.139 5.592 1.00 0.00 C ATOM 660 CE1 TYR D 45 -18.759 2.226 6.089 1.00 0.00 C ATOM 661 CE2 TYR D 45 -18.204 -0.082 6.296 1.00 0.00 C ATOM 662 CZ TYR D 45 -19.059 0.963 6.542 1.00 0.00 C ATOM 663 OH TYR D 45 -20.223 0.748 7.243 1.00 0.00 O ATOM 0 H TYR D 45 -13.485 -0.289 4.813 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.786 0.066 2.974 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.622 1.909 5.057 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.548 2.514 3.698 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -17.363 3.439 5.031 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -16.369 -0.689 5.404 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -19.435 3.046 6.284 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -18.443 -1.073 6.652 1.00 0.00 H new ATOM 0 HH TYR D 45 -20.286 -0.198 7.490 1.00 0.00 H new ATOM 673 N GLY D 46 -14.366 1.619 1.431 1.00 0.00 N ATOM 674 CA GLY D 46 -13.497 2.032 0.336 1.00 0.00 C ATOM 675 C GLY D 46 -13.078 3.474 0.423 1.00 0.00 C ATOM 676 O GLY D 46 -12.856 3.979 1.509 1.00 0.00 O ATOM 0 H GLY D 46 -15.343 1.892 1.322 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.608 1.402 0.329 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -14.012 1.867 -0.610 1.00 0.00 H new ATOM 680 N ILE D 47 -12.854 4.114 -0.711 1.00 0.00 N ATOM 681 CA ILE D 47 -12.365 5.486 -0.708 1.00 0.00 C ATOM 682 C ILE D 47 -13.419 6.359 -0.060 1.00 0.00 C ATOM 683 O ILE D 47 -13.185 7.035 0.940 1.00 0.00 O ATOM 684 CB ILE D 47 -12.199 6.070 -2.127 1.00 0.00 C ATOM 685 CG1 ILE D 47 -11.671 5.085 -3.135 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.322 7.301 -2.099 1.00 0.00 C ATOM 687 CD1 ILE D 47 -12.749 4.193 -3.702 1.00 0.00 C ATOM 0 H ILE D 47 -13.000 3.713 -1.638 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.404 5.473 -0.195 1.00 0.00 H new ATOM 0 HB ILE D 47 -13.204 6.337 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -11.190 5.628 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.905 4.468 -2.666 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.218 7.697 -3.109 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -11.776 8.057 -1.458 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.339 7.038 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -12.309 3.504 -4.423 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -13.214 3.626 -2.895 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -13.503 4.804 -4.198 1.00 0.00 H new ATOM 699 N SER D 48 -14.574 6.299 -0.720 1.00 0.00 N ATOM 700 CA SER D 48 -15.811 7.024 -0.416 1.00 0.00 C ATOM 701 C SER D 48 -16.723 6.849 -1.625 1.00 0.00 C ATOM 702 O SER D 48 -16.941 5.719 -2.062 1.00 0.00 O ATOM 703 CB SER D 48 -15.575 8.516 -0.139 1.00 0.00 C ATOM 704 OG SER D 48 -14.971 8.739 1.124 1.00 0.00 O ATOM 0 H SER D 48 -14.680 5.701 -1.539 1.00 0.00 H new ATOM 0 HA SER D 48 -16.255 6.622 0.495 1.00 0.00 H new ATOM 0 HB2 SER D 48 -14.941 8.933 -0.921 1.00 0.00 H new ATOM 0 HB3 SER D 48 -16.526 9.047 -0.183 1.00 0.00 H new ATOM 0 HG SER D 48 -14.018 8.515 1.075 1.00 0.00 H new ATOM 710 N TYR D 49 -16.968 7.934 -2.347 1.00 0.00 N ATOM 711 CA TYR D 49 -17.513 7.807 -3.691 1.00 0.00 C ATOM 712 C TYR D 49 -16.464 8.221 -4.702 1.00 0.00 C ATOM 713 O TYR D 49 -16.520 9.318 -5.261 1.00 0.00 O ATOM 714 CB TYR D 49 -18.775 8.645 -3.897 1.00 0.00 C ATOM 715 CG TYR D 49 -20.031 8.080 -3.225 1.00 0.00 C ATOM 716 CD1 TYR D 49 -20.000 7.702 -1.885 1.00 0.00 C ATOM 717 CD2 TYR D 49 -21.246 7.911 -3.916 1.00 0.00 C ATOM 718 CE1 TYR D 49 -21.112 7.180 -1.256 1.00 0.00 C ATOM 719 CE2 TYR D 49 -22.357 7.391 -3.281 1.00 0.00 C ATOM 720 CZ TYR D 49 -22.285 7.027 -1.956 1.00 0.00 C ATOM 721 OH TYR D 49 -23.392 6.505 -1.331 1.00 0.00 O ATOM 0 H TYR D 49 -16.803 8.891 -2.034 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.791 6.762 -3.830 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -18.595 9.650 -3.515 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -18.962 8.740 -4.967 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -19.084 7.820 -1.325 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -21.310 8.192 -4.957 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -21.061 6.892 -0.216 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -23.282 7.270 -3.825 1.00 0.00 H new ATOM 0 HH TYR D 49 -24.138 6.465 -1.966 1.00 0.00 H new ATOM 731 N GLU D 50 -15.500 7.341 -4.922 1.00 0.00 N ATOM 732 CA GLU D 50 -14.410 7.601 -5.851 1.00 0.00 C ATOM 733 C GLU D 50 -13.952 6.304 -6.495 1.00 0.00 C ATOM 734 O GLU D 50 -14.419 5.230 -6.120 1.00 0.00 O ATOM 735 CB GLU D 50 -13.228 8.248 -5.121 1.00 0.00 C ATOM 736 CG GLU D 50 -13.518 9.639 -4.589 1.00 0.00 C ATOM 737 CD GLU D 50 -12.340 10.248 -3.871 1.00 0.00 C ATOM 738 OE1 GLU D 50 -11.293 10.447 -4.511 1.00 0.00 O ATOM 739 OE2 GLU D 50 -12.458 10.524 -2.666 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.450 6.431 -4.465 1.00 0.00 H new ATOM 0 HA GLU D 50 -14.771 8.282 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -12.932 7.607 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.378 8.300 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -13.807 10.286 -5.417 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -14.368 9.593 -3.908 1.00 0.00 H new ATOM 746 N ASP D 51 -12.997 6.387 -7.414 1.00 0.00 N ATOM 747 CA ASP D 51 -12.453 5.183 -8.024 1.00 0.00 C ATOM 748 C ASP D 51 -10.960 5.307 -8.288 1.00 0.00 C ATOM 749 O ASP D 51 -10.467 6.359 -8.693 1.00 0.00 O ATOM 750 CB ASP D 51 -13.244 4.822 -9.272 1.00 0.00 C ATOM 751 CG ASP D 51 -13.110 5.816 -10.406 1.00 0.00 C ATOM 752 OD1 ASP D 51 -12.009 5.944 -10.971 1.00 0.00 O ATOM 753 OD2 ASP D 51 -14.114 6.479 -10.726 1.00 0.00 O1- ATOM 0 H ASP D 51 -12.590 7.261 -7.748 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.560 4.359 -7.319 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.919 3.843 -9.623 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -14.297 4.732 -9.006 1.00 0.00 H new ATOM 758 N LYS D 52 -10.239 4.289 -7.827 1.00 0.00 N ATOM 759 CA LYS D 52 -8.794 4.303 -7.750 1.00 0.00 C ATOM 760 C LYS D 52 -8.237 2.970 -8.179 1.00 0.00 C ATOM 761 O LYS D 52 -8.663 1.937 -7.676 1.00 0.00 O ATOM 762 CB LYS D 52 -8.336 4.562 -6.318 1.00 0.00 C ATOM 763 CG LYS D 52 -8.391 6.003 -5.845 1.00 0.00 C ATOM 764 CD LYS D 52 -9.779 6.611 -5.841 1.00 0.00 C ATOM 765 CE LYS D 52 -9.764 7.936 -5.104 1.00 0.00 C ATOM 766 NZ LYS D 52 -8.726 8.854 -5.645 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.656 3.420 -7.493 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.435 5.095 -8.407 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.949 3.958 -5.648 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.310 4.208 -6.217 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -7.982 6.057 -4.836 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -7.746 6.606 -6.483 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.123 6.759 -6.865 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.482 5.928 -5.364 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -10.744 8.407 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -9.579 7.761 -4.044 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -8.895 9.817 -5.290 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -7.785 8.533 -5.340 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -8.771 8.855 -6.684 1.00 0.00 H new ATOM 780 N ASN D 53 -7.194 2.996 -8.982 1.00 0.00 N ATOM 781 CA ASN D 53 -6.480 1.778 -9.322 1.00 0.00 C ATOM 782 C ASN D 53 -5.101 1.824 -8.699 1.00 0.00 C ATOM 783 O ASN D 53 -4.450 2.868 -8.710 1.00 0.00 O ATOM 784 CB ASN D 53 -6.369 1.593 -10.836 1.00 0.00 C ATOM 785 CG ASN D 53 -7.708 1.383 -11.523 1.00 0.00 C ATOM 786 OD1 ASN D 53 -7.753 1.167 -12.737 1.00 0.00 O ATOM 787 ND2 ASN D 53 -8.811 1.471 -10.781 1.00 0.00 N ATOM 0 H ASN D 53 -6.821 3.843 -9.411 1.00 0.00 H new ATOM 0 HA ASN D 53 -7.039 0.928 -8.931 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.883 2.469 -11.266 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.726 0.738 -11.043 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -9.728 1.359 -11.214 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.739 1.651 -9.780 1.00 0.00 H new ATOM 794 N TRP D 54 -4.705 0.743 -8.048 1.00 0.00 N ATOM 795 CA TRP D 54 -3.456 0.737 -7.306 1.00 0.00 C ATOM 796 C TRP D 54 -2.465 -0.279 -7.802 1.00 0.00 C ATOM 797 O TRP D 54 -2.834 -1.359 -8.259 1.00 0.00 O ATOM 798 CB TRP D 54 -3.694 0.480 -5.830 1.00 0.00 C ATOM 799 CG TRP D 54 -3.618 1.714 -5.023 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.426 2.800 -5.071 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.607 1.997 -4.085 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.972 3.753 -4.190 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.844 3.273 -3.577 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.521 1.278 -3.622 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -2.011 3.843 -2.632 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.713 1.850 -2.682 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.956 3.120 -2.200 1.00 0.00 C ATOM 0 H TRP D 54 -5.225 -0.134 -8.018 1.00 0.00 H new ATOM 0 HA TRP D 54 -3.034 1.730 -7.462 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.674 0.023 -5.697 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -2.957 -0.235 -5.465 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.295 2.902 -5.705 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -4.402 4.663 -4.021 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.316 0.286 -3.996 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -2.199 4.836 -2.251 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.135 1.296 -2.307 1.00 0.00 H new ATOM 0 HH2 TRP D 54 -0.290 3.544 -1.463 1.00 0.00 H new ATOM 818 N GLY D 55 -1.199 0.010 -7.533 1.00 0.00 N ATOM 819 CA GLY D 55 -0.164 -0.953 -7.785 1.00 0.00 C ATOM 820 C GLY D 55 0.924 -0.942 -6.733 1.00 0.00 C ATOM 821 O GLY D 55 1.147 0.043 -6.029 1.00 0.00 O ATOM 0 H GLY D 55 -0.877 0.897 -7.145 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.606 -1.948 -7.833 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.280 -0.754 -8.761 1.00 0.00 H new ATOM 825 N ILE D 56 1.596 -2.062 -6.679 1.00 0.00 N ATOM 826 CA ILE D 56 2.715 -2.332 -5.782 1.00 0.00 C ATOM 827 C ILE D 56 3.868 -2.816 -6.645 1.00 0.00 C ATOM 828 O ILE D 56 3.748 -3.848 -7.304 1.00 0.00 O ATOM 829 CB ILE D 56 2.300 -3.434 -4.782 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.133 -2.952 -3.922 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.464 -3.852 -3.902 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.488 -4.052 -3.117 1.00 0.00 C ATOM 0 H ILE D 56 1.377 -2.854 -7.283 1.00 0.00 H new ATOM 0 HA ILE D 56 3.005 -1.444 -5.221 1.00 0.00 H new ATOM 0 HB ILE D 56 1.986 -4.306 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.487 -2.176 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.382 -2.494 -4.566 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.137 -4.628 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.271 -4.237 -4.525 1.00 0.00 H new ATOM 0 HG23 ILE D 56 3.821 -2.991 -3.338 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.333 -3.640 -2.530 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.104 -4.818 -3.790 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.226 -4.494 -2.448 1.00 0.00 H new ATOM 844 N PHE D 57 4.847 -1.953 -6.861 1.00 0.00 N ATOM 845 CA PHE D 57 5.829 -2.212 -7.904 1.00 0.00 C ATOM 846 C PHE D 57 7.146 -2.690 -7.319 1.00 0.00 C ATOM 847 O PHE D 57 7.939 -1.893 -6.822 1.00 0.00 O ATOM 848 CB PHE D 57 6.069 -0.968 -8.774 1.00 0.00 C ATOM 849 CG PHE D 57 4.813 -0.350 -9.338 1.00 0.00 C ATOM 850 CD1 PHE D 57 3.950 0.381 -8.533 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.475 -0.526 -10.668 1.00 0.00 C ATOM 852 CE1 PHE D 57 2.798 0.917 -9.035 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.315 0.023 -11.177 1.00 0.00 C ATOM 854 CZ PHE D 57 2.478 0.746 -10.353 1.00 0.00 C ATOM 0 H PHE D 57 4.983 -1.086 -6.342 1.00 0.00 H new ATOM 0 HA PHE D 57 5.419 -3.002 -8.533 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.592 -0.219 -8.179 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.728 -1.238 -9.599 1.00 0.00 H new ATOM 0 HD1 PHE D 57 4.194 0.529 -7.491 1.00 0.00 H new ATOM 0 HD2 PHE D 57 5.125 -1.098 -11.314 1.00 0.00 H new ATOM 0 HE1 PHE D 57 2.138 1.477 -8.389 1.00 0.00 H new ATOM 0 HE2 PHE D 57 3.063 -0.113 -12.218 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.570 1.177 -10.749 1.00 0.00 H new ATOM 864 N VAL D 58 7.412 -3.977 -7.478 1.00 0.00 N ATOM 865 CA VAL D 58 8.681 -4.558 -7.071 1.00 0.00 C ATOM 866 C VAL D 58 9.673 -4.504 -8.226 1.00 0.00 C ATOM 867 O VAL D 58 9.484 -5.175 -9.243 1.00 0.00 O ATOM 868 CB VAL D 58 8.510 -6.022 -6.613 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.841 -6.625 -6.209 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.521 -6.114 -5.463 1.00 0.00 C ATOM 0 H VAL D 58 6.759 -4.644 -7.890 1.00 0.00 H new ATOM 0 HA VAL D 58 9.058 -3.976 -6.230 1.00 0.00 H new ATOM 0 HB VAL D 58 8.118 -6.591 -7.456 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.691 -7.657 -5.891 1.00 0.00 H new ATOM 0 HG12 VAL D 58 10.523 -6.603 -7.059 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.266 -6.050 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.416 -7.155 -5.156 1.00 0.00 H new ATOM 0 HG22 VAL D 58 7.884 -5.523 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.553 -5.731 -5.784 1.00 0.00 H new ATOM 880 N ASN D 59 10.704 -3.674 -8.071 1.00 0.00 N ATOM 881 CA ASN D 59 11.725 -3.481 -9.105 1.00 0.00 C ATOM 882 C ASN D 59 11.093 -3.101 -10.437 1.00 0.00 C ATOM 883 O ASN D 59 11.462 -3.632 -11.485 1.00 0.00 O ATOM 884 CB ASN D 59 12.589 -4.736 -9.271 1.00 0.00 C ATOM 885 CG ASN D 59 13.409 -5.050 -8.033 1.00 0.00 C ATOM 886 OD1 ASN D 59 12.869 -5.247 -6.947 1.00 0.00 O ATOM 887 ND2 ASN D 59 14.723 -5.099 -8.191 1.00 0.00 N ATOM 0 H ASN D 59 10.856 -3.118 -7.230 1.00 0.00 H new ATOM 0 HA ASN D 59 12.366 -2.661 -8.780 1.00 0.00 H new ATOM 0 HB2 ASN D 59 11.947 -5.586 -9.502 1.00 0.00 H new ATOM 0 HB3 ASN D 59 13.258 -4.602 -10.121 1.00 0.00 H new ATOM 0 HD21 ASN D 59 15.325 -5.306 -7.394 1.00 0.00 H new ATOM 0 HD22 ASN D 59 15.133 -4.929 -9.110 1.00 0.00 H new ATOM 894 N GLY D 60 10.153 -2.164 -10.391 1.00 0.00 N ATOM 895 CA GLY D 60 9.497 -1.711 -11.596 1.00 0.00 C ATOM 896 C GLY D 60 8.575 -2.752 -12.190 1.00 0.00 C ATOM 897 O GLY D 60 8.616 -3.019 -13.392 1.00 0.00 O ATOM 0 H GLY D 60 9.835 -1.710 -9.535 1.00 0.00 H new ATOM 0 HA2 GLY D 60 8.925 -0.810 -11.376 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.251 -1.438 -12.334 1.00 0.00 H new ATOM 901 N GLU D 61 7.725 -3.320 -11.347 1.00 0.00 N ATOM 902 CA GLU D 61 6.754 -4.315 -11.787 1.00 0.00 C ATOM 903 C GLU D 61 5.547 -4.333 -10.856 1.00 0.00 C ATOM 904 O GLU D 61 5.679 -4.602 -9.663 1.00 0.00 O ATOM 905 CB GLU D 61 7.393 -5.708 -11.840 1.00 0.00 C ATOM 906 CG GLU D 61 6.442 -6.795 -12.317 1.00 0.00 C ATOM 907 CD GLU D 61 7.095 -8.155 -12.402 1.00 0.00 C ATOM 908 OE1 GLU D 61 6.402 -9.123 -12.769 1.00 0.00 O ATOM 909 OE2 GLU D 61 8.303 -8.258 -12.113 1.00 0.00 O1- ATOM 0 H GLU D 61 7.687 -3.109 -10.350 1.00 0.00 H new ATOM 0 HA GLU D 61 6.422 -4.043 -12.789 1.00 0.00 H new ATOM 0 HB2 GLU D 61 8.258 -5.677 -12.502 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.761 -5.968 -10.847 1.00 0.00 H new ATOM 0 HG2 GLU D 61 5.591 -6.849 -11.638 1.00 0.00 H new ATOM 0 HG3 GLU D 61 6.051 -6.524 -13.298 1.00 0.00 H new ATOM 916 N LYS D 62 4.373 -4.054 -11.409 1.00 0.00 N ATOM 917 CA LYS D 62 3.141 -4.051 -10.629 1.00 0.00 C ATOM 918 C LYS D 62 2.721 -5.483 -10.307 1.00 0.00 C ATOM 919 O LYS D 62 2.362 -6.250 -11.203 1.00 0.00 O ATOM 920 CB LYS D 62 2.036 -3.321 -11.404 1.00 0.00 C ATOM 921 CG LYS D 62 0.721 -3.192 -10.648 1.00 0.00 C ATOM 922 CD LYS D 62 -0.303 -2.399 -11.452 1.00 0.00 C ATOM 923 CE LYS D 62 -0.648 -3.090 -12.764 1.00 0.00 C ATOM 924 NZ LYS D 62 -1.596 -2.294 -13.589 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.248 -3.827 -12.395 1.00 0.00 H new ATOM 0 HA LYS D 62 3.311 -3.525 -9.690 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.390 -2.324 -11.666 1.00 0.00 H new ATOM 0 HB3 LYS D 62 1.854 -3.851 -12.339 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.326 -4.184 -10.429 1.00 0.00 H new ATOM 0 HG3 LYS D 62 0.896 -2.700 -9.691 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -1.209 -2.270 -10.860 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.089 -1.403 -11.658 1.00 0.00 H new ATOM 0 HE2 LYS D 62 0.266 -3.264 -13.332 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -1.084 -4.067 -12.554 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -1.801 -2.804 -14.472 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 -2.479 -2.149 -13.060 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 -1.171 -1.372 -13.813 1.00 0.00 H new ATOM 938 N VAL D 63 2.871 -5.870 -9.046 1.00 0.00 N ATOM 939 CA VAL D 63 2.614 -7.243 -8.636 1.00 0.00 C ATOM 940 C VAL D 63 1.172 -7.442 -8.171 1.00 0.00 C ATOM 941 O VAL D 63 0.614 -8.528 -8.319 1.00 0.00 O ATOM 942 CB VAL D 63 3.584 -7.691 -7.533 1.00 0.00 C ATOM 943 CG1 VAL D 63 5.024 -7.553 -8.001 1.00 0.00 C ATOM 944 CG2 VAL D 63 3.368 -6.922 -6.238 1.00 0.00 C ATOM 0 H VAL D 63 3.169 -5.252 -8.291 1.00 0.00 H new ATOM 0 HA VAL D 63 2.775 -7.863 -9.518 1.00 0.00 H new ATOM 0 HB VAL D 63 3.379 -8.741 -7.326 1.00 0.00 H new ATOM 0 HG11 VAL D 63 5.697 -7.875 -7.207 1.00 0.00 H new ATOM 0 HG12 VAL D 63 5.181 -8.174 -8.883 1.00 0.00 H new ATOM 0 HG13 VAL D 63 5.228 -6.511 -8.249 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.075 -7.271 -5.485 1.00 0.00 H new ATOM 0 HG22 VAL D 63 3.524 -5.858 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL D 63 2.350 -7.085 -5.883 1.00 0.00 H new ATOM 954 N TYR D 64 0.567 -6.399 -7.618 1.00 0.00 N ATOM 955 CA TYR D 64 -0.809 -6.491 -7.151 1.00 0.00 C ATOM 956 C TYR D 64 -1.568 -5.213 -7.481 1.00 0.00 C ATOM 957 O TYR D 64 -1.073 -4.109 -7.239 1.00 0.00 O ATOM 958 CB TYR D 64 -0.853 -6.754 -5.640 1.00 0.00 C ATOM 959 CG TYR D 64 -2.255 -6.997 -5.108 1.00 0.00 C ATOM 960 CD1 TYR D 64 -3.148 -7.801 -5.807 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.689 -6.424 -3.915 1.00 0.00 C ATOM 962 CE1 TYR D 64 -4.427 -8.023 -5.338 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.968 -6.646 -3.441 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.831 -7.443 -4.157 1.00 0.00 C ATOM 965 OH TYR D 64 -6.107 -7.658 -3.693 1.00 0.00 O ATOM 0 H TYR D 64 1.003 -5.487 -7.483 1.00 0.00 H new ATOM 0 HA TYR D 64 -1.287 -7.327 -7.662 1.00 0.00 H new ATOM 0 HB2 TYR D 64 -0.231 -7.620 -5.412 1.00 0.00 H new ATOM 0 HB3 TYR D 64 -0.417 -5.902 -5.118 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -2.836 -8.260 -6.733 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -2.015 -5.796 -3.351 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -5.108 -8.649 -5.895 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.288 -6.196 -2.513 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.120 -8.461 -3.131 1.00 0.00 H new ATOM 975 N THR D 65 -2.782 -5.371 -7.998 1.00 0.00 N ATOM 976 CA THR D 65 -3.631 -4.238 -8.319 1.00 0.00 C ATOM 977 C THR D 65 -4.906 -4.275 -7.483 1.00 0.00 C ATOM 978 O THR D 65 -5.842 -5.017 -7.793 1.00 0.00 O ATOM 979 CB THR D 65 -3.978 -4.231 -9.789 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.811 -4.300 -10.592 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.761 -3.005 -10.227 1.00 0.00 C ATOM 0 H THR D 65 -3.198 -6.279 -8.203 1.00 0.00 H new ATOM 0 HA THR D 65 -3.082 -3.325 -8.086 1.00 0.00 H new ATOM 0 HB THR D 65 -4.605 -5.111 -9.928 1.00 0.00 H new ATOM 0 HG1 THR D 65 -3.065 -4.296 -11.539 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.973 -3.071 -11.294 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.698 -2.955 -9.673 1.00 0.00 H new ATOM 0 HG23 THR D 65 -4.174 -2.108 -10.029 1.00 0.00 H new ATOM 989 N PHE D 66 -4.986 -3.406 -6.490 1.00 0.00 N ATOM 990 CA PHE D 66 -6.207 -3.278 -5.707 1.00 0.00 C ATOM 991 C PHE D 66 -6.820 -1.926 -5.969 1.00 0.00 C ATOM 992 O PHE D 66 -6.125 -0.966 -6.267 1.00 0.00 O ATOM 993 CB PHE D 66 -5.954 -3.502 -4.208 1.00 0.00 C ATOM 994 CG PHE D 66 -5.064 -2.492 -3.516 1.00 0.00 C ATOM 995 CD1 PHE D 66 -3.774 -2.834 -3.131 1.00 0.00 C ATOM 996 CD2 PHE D 66 -5.535 -1.226 -3.196 1.00 0.00 C ATOM 997 CE1 PHE D 66 -2.972 -1.930 -2.456 1.00 0.00 C ATOM 998 CE2 PHE D 66 -4.736 -0.319 -2.524 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.453 -0.671 -2.153 1.00 0.00 C ATOM 0 H PHE D 66 -4.229 -2.783 -6.207 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.906 -4.055 -6.016 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.917 -3.515 -3.697 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.512 -4.490 -4.080 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -3.392 -3.818 -3.361 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -6.540 -0.945 -3.476 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -1.970 -2.209 -2.166 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -5.115 0.665 -2.289 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.828 0.036 -1.628 1.00 0.00 H new ATOM 1009 N ASN D 67 -8.112 -1.834 -5.816 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.784 -0.569 -5.980 1.00 0.00 C ATOM 1011 C ASN D 67 -9.248 -0.123 -4.617 1.00 0.00 C ATOM 1012 O ASN D 67 -9.642 -0.965 -3.826 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.979 -0.710 -6.932 1.00 0.00 C ATOM 1014 CG ASN D 67 -9.581 -1.263 -8.283 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -8.724 -0.709 -8.968 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -10.204 -2.364 -8.674 1.00 0.00 N ATOM 0 H ASN D 67 -8.722 -2.616 -5.579 1.00 0.00 H new ATOM 0 HA ASN D 67 -8.106 0.166 -6.414 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.724 -1.365 -6.480 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -10.450 0.264 -7.066 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -9.979 -2.785 -9.575 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -10.909 -2.791 -8.074 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.244 1.174 -4.327 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.736 1.618 -3.033 1.00 0.00 C ATOM 1025 C GLU D 68 -11.242 1.426 -3.017 1.00 0.00 C ATOM 1026 O GLU D 68 -11.852 1.256 -1.966 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.376 3.079 -2.753 1.00 0.00 C ATOM 1028 CG GLU D 68 -7.947 3.435 -3.130 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.612 4.896 -2.895 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -6.460 5.290 -3.173 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -8.508 5.654 -2.469 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.917 1.913 -4.949 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.264 1.028 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.060 3.725 -3.303 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -9.526 3.285 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.261 2.815 -2.553 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -7.786 3.197 -4.181 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.789 1.281 -4.228 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.181 0.899 -4.426 1.00 0.00 C ATOM 1040 C LYS D 69 -13.406 -0.433 -3.764 1.00 0.00 C ATOM 1041 O LYS D 69 -14.321 -0.609 -2.961 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.464 0.733 -5.907 1.00 0.00 C ATOM 1043 CG LYS D 69 -13.086 1.937 -6.737 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.345 1.714 -8.228 1.00 0.00 C ATOM 1045 CE LYS D 69 -14.834 1.623 -8.578 1.00 0.00 C ATOM 1046 NZ LYS D 69 -15.512 0.448 -7.963 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.274 1.427 -5.096 1.00 0.00 H new ATOM 0 HA LYS D 69 -13.830 1.667 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -12.921 -0.137 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.526 0.527 -6.044 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.653 2.803 -6.397 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -12.031 2.166 -6.583 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -12.895 2.530 -8.794 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -12.848 0.796 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -15.334 2.535 -8.251 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -14.943 1.571 -9.661 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -16.282 0.127 -8.584 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -14.825 -0.322 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -15.903 0.718 -7.038 1.00 0.00 H new ATOM 1060 N SER D 70 -12.441 -1.310 -3.993 1.00 0.00 N ATOM 1061 CA SER D 70 -12.389 -2.560 -3.302 1.00 0.00 C ATOM 1062 C SER D 70 -11.984 -2.270 -1.883 1.00 0.00 C ATOM 1063 O SER D 70 -10.826 -1.947 -1.622 1.00 0.00 O ATOM 1064 CB SER D 70 -11.398 -3.514 -3.953 1.00 0.00 C ATOM 1065 OG SER D 70 -11.500 -4.814 -3.395 1.00 0.00 O ATOM 0 H SER D 70 -11.684 -1.164 -4.661 1.00 0.00 H new ATOM 0 HA SER D 70 -13.364 -3.046 -3.338 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.584 -3.560 -5.026 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.384 -3.136 -3.821 1.00 0.00 H new ATOM 0 HG SER D 70 -11.418 -5.483 -4.107 1.00 0.00 H new ATOM 1071 N THR D 71 -12.981 -2.248 -1.023 1.00 0.00 N ATOM 1072 CA THR D 71 -12.835 -1.850 0.365 1.00 0.00 C ATOM 1073 C THR D 71 -11.455 -2.200 0.917 1.00 0.00 C ATOM 1074 O THR D 71 -11.059 -3.372 0.884 1.00 0.00 O ATOM 1075 CB THR D 71 -13.892 -2.566 1.174 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.758 -3.969 1.029 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.308 -2.194 0.780 1.00 0.00 C ATOM 0 H THR D 71 -13.934 -2.511 -1.272 1.00 0.00 H new ATOM 0 HA THR D 71 -12.950 -0.768 0.431 1.00 0.00 H new ATOM 0 HB THR D 71 -13.731 -2.254 2.206 1.00 0.00 H new ATOM 0 HG1 THR D 71 -13.953 -4.406 1.884 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.015 -2.745 1.401 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.456 -1.124 0.923 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.472 -2.446 -0.268 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.714 -1.194 1.393 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.381 -1.401 1.918 1.00 0.00 C ATOM 1087 C VAL D 72 -9.353 -2.460 3.015 1.00 0.00 C ATOM 1088 O VAL D 72 -8.304 -3.018 3.324 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.705 -0.098 2.404 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.494 0.161 1.540 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.636 1.107 2.310 1.00 0.00 C ATOM 0 H VAL D 72 -11.028 -0.224 1.421 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.796 -1.767 1.074 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.434 -0.229 3.452 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.003 1.077 1.867 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.799 -0.674 1.627 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.805 0.267 0.501 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.115 1.997 2.663 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -9.941 1.251 1.273 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.518 0.934 2.927 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.536 -2.836 3.478 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.671 -3.937 4.389 1.00 0.00 C ATOM 1103 C GLY D 73 -10.378 -5.268 3.741 1.00 0.00 C ATOM 1104 O GLY D 73 -9.412 -5.936 4.099 1.00 0.00 O ATOM 0 H GLY D 73 -11.416 -2.384 3.229 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -9.995 -3.791 5.232 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.684 -3.948 4.791 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.239 -5.667 2.808 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.094 -6.964 2.134 1.00 0.00 C ATOM 1110 C ASN D 74 -9.797 -7.030 1.347 1.00 0.00 C ATOM 1111 O ASN D 74 -9.275 -8.112 1.086 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.281 -7.240 1.195 1.00 0.00 C ATOM 1113 CG ASN D 74 -13.615 -7.302 1.923 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -14.011 -6.351 2.598 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -14.337 -8.407 1.771 1.00 0.00 N ATOM 0 H ASN D 74 -12.041 -5.118 2.500 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.075 -7.729 2.910 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -12.324 -6.460 0.435 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.113 -8.183 0.675 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -15.249 -8.486 2.220 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -13.979 -9.176 1.205 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.250 -5.873 1.026 1.00 0.00 N ATOM 1123 CA ILE D 75 -7.972 -5.808 0.334 1.00 0.00 C ATOM 1124 C ILE D 75 -6.812 -5.990 1.293 1.00 0.00 C ATOM 1125 O ILE D 75 -5.823 -6.629 0.967 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.837 -4.489 -0.408 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.841 -4.462 -1.566 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.413 -4.264 -0.898 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.634 -5.591 -2.556 1.00 0.00 C ATOM 0 H ILE D 75 -9.668 -4.966 1.232 1.00 0.00 H new ATOM 0 HA ILE D 75 -7.944 -6.625 -0.386 1.00 0.00 H new ATOM 0 HB ILE D 75 -8.060 -3.671 0.277 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -9.853 -4.520 -1.164 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -8.759 -3.509 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.355 -3.311 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.733 -4.250 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.130 -5.070 -1.575 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.375 -5.517 -3.352 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -7.634 -5.521 -2.984 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -8.744 -6.548 -2.045 1.00 0.00 H new ATOM 1141 N SER D 76 -6.953 -5.469 2.491 1.00 0.00 N ATOM 1142 CA SER D 76 -5.920 -5.642 3.504 1.00 0.00 C ATOM 1143 C SER D 76 -5.937 -7.053 4.059 1.00 0.00 C ATOM 1144 O SER D 76 -4.881 -7.599 4.377 1.00 0.00 O ATOM 1145 CB SER D 76 -6.072 -4.606 4.610 1.00 0.00 C ATOM 1146 OG SER D 76 -5.185 -4.847 5.686 1.00 0.00 O ATOM 0 H SER D 76 -7.762 -4.926 2.792 1.00 0.00 H new ATOM 0 HA SER D 76 -4.949 -5.486 3.034 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.887 -3.612 4.203 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.098 -4.615 4.977 1.00 0.00 H new ATOM 0 HG SER D 76 -5.619 -4.600 6.529 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.072 -7.726 3.916 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.104 -9.163 4.133 1.00 0.00 C ATOM 1154 C ASN D 77 -6.230 -9.838 3.093 1.00 0.00 C ATOM 1155 O ASN D 77 -5.553 -10.819 3.386 1.00 0.00 O ATOM 1156 CB ASN D 77 -8.528 -9.717 4.070 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.354 -9.349 5.285 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -9.525 -8.176 5.610 1.00 0.00 O ATOM 1159 ND2 ASN D 77 -9.884 -10.357 5.959 1.00 0.00 N ATOM 0 H ASN D 77 -7.965 -7.308 3.656 1.00 0.00 H new ATOM 0 HA ASN D 77 -6.724 -9.370 5.133 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.020 -9.340 3.174 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -8.487 -10.802 3.979 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -10.459 -10.174 6.782 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -9.718 -11.317 5.656 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.159 -9.228 1.907 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.261 -9.696 0.855 1.00 0.00 C ATOM 1168 C ASP D 78 -3.822 -9.273 1.099 1.00 0.00 C ATOM 1169 O ASP D 78 -2.899 -9.977 0.712 1.00 0.00 O ATOM 1170 CB ASP D 78 -5.710 -9.217 -0.529 1.00 0.00 C ATOM 1171 CG ASP D 78 -6.986 -9.879 -0.992 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -7.492 -9.503 -2.066 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.467 -10.798 -0.304 1.00 0.00 O1- ATOM 0 H ASP D 78 -6.713 -8.410 1.654 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.307 -10.785 0.882 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -5.854 -8.137 -0.505 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -4.919 -9.417 -1.252 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.611 -8.138 1.743 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.252 -7.693 2.006 1.00 0.00 C ATOM 1180 C ILE D 79 -1.605 -8.606 3.044 1.00 0.00 C ATOM 1181 O ILE D 79 -0.383 -8.751 3.090 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.190 -6.221 2.487 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.006 -5.318 1.561 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.744 -5.744 2.504 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -2.484 -5.272 0.139 1.00 0.00 C ATOM 0 H ILE D 79 -4.345 -7.519 2.087 1.00 0.00 H new ATOM 0 HA ILE D 79 -1.705 -7.746 1.065 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.608 -6.170 3.492 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -4.039 -5.665 1.548 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -3.014 -4.307 1.969 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.706 -4.709 2.843 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.163 -6.369 3.182 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.326 -5.812 1.499 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.113 -4.612 -0.458 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -1.461 -4.896 0.139 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.502 -6.275 -0.288 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.450 -9.313 3.791 1.00 0.00 N ATOM 1198 CA ASN D 80 -1.996 -10.315 4.734 1.00 0.00 C ATOM 1199 C ASN D 80 -1.313 -11.469 4.012 1.00 0.00 C ATOM 1200 O ASN D 80 -0.265 -11.943 4.448 1.00 0.00 O ATOM 1201 CB ASN D 80 -3.173 -10.838 5.558 1.00 0.00 C ATOM 1202 CG ASN D 80 -3.754 -9.809 6.513 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -4.737 -10.080 7.205 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -3.146 -8.633 6.583 1.00 0.00 N ATOM 0 H ASN D 80 -3.463 -9.203 3.755 1.00 0.00 H new ATOM 0 HA ASN D 80 -1.272 -9.849 5.403 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -3.957 -11.176 4.881 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.848 -11.708 6.129 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -3.490 -7.919 7.225 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -2.334 -8.443 5.995 1.00 0.00 H new ATOM 1211 N LYS D 81 -1.881 -11.895 2.882 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.274 -12.962 2.098 1.00 0.00 C ATOM 1213 C LYS D 81 -0.150 -12.449 1.199 1.00 0.00 C ATOM 1214 O LYS D 81 0.973 -12.941 1.286 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.304 -13.752 1.279 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.348 -12.915 0.572 1.00 0.00 C ATOM 1217 CD LYS D 81 -4.577 -12.724 1.441 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.245 -14.051 1.772 1.00 0.00 C ATOM 1219 NZ LYS D 81 -6.464 -13.875 2.607 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.748 -11.521 2.497 1.00 0.00 H new ATOM 0 HA LYS D 81 -0.837 -13.649 2.822 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -1.774 -14.346 0.535 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -2.812 -14.452 1.943 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -2.926 -11.943 0.315 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -3.632 -13.397 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.295 -12.219 2.365 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.288 -12.077 0.928 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -5.511 -14.562 0.847 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -4.536 -14.691 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -6.468 -14.582 3.369 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.467 -12.921 3.020 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -7.311 -13.999 2.016 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.446 -11.466 0.341 1.00 0.00 N ATOM 1234 CA LEU D 82 0.545 -10.893 -0.570 1.00 0.00 C ATOM 1235 C LEU D 82 1.855 -10.538 0.133 1.00 0.00 C ATOM 1236 O LEU D 82 2.932 -10.707 -0.443 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.042 -9.676 -1.254 1.00 0.00 C ATOM 1238 CG LEU D 82 -0.985 -9.992 -2.416 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.220 -10.608 -3.574 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.124 -10.912 -2.010 1.00 0.00 C ATOM 0 H LEU D 82 -1.373 -11.049 0.260 1.00 0.00 H new ATOM 0 HA LEU D 82 0.790 -11.652 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.583 -9.085 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.774 -9.054 -1.624 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.422 -9.043 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -0.909 -10.825 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.543 -9.910 -3.919 1.00 0.00 H new ATOM 0 HD13 LEU D 82 0.256 -11.532 -3.245 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -2.762 -11.103 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -1.717 -11.855 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -2.711 -10.439 -1.222 1.00 0.00 H new ATOM 1252 N ASN D 83 1.750 -10.180 1.417 1.00 0.00 N ATOM 1253 CA ASN D 83 2.910 -9.944 2.283 1.00 0.00 C ATOM 1254 C ASN D 83 3.899 -8.972 1.632 1.00 0.00 C ATOM 1255 O ASN D 83 4.857 -9.391 0.985 1.00 0.00 O ATOM 1256 CB ASN D 83 3.603 -11.279 2.593 1.00 0.00 C ATOM 1257 CG ASN D 83 4.665 -11.177 3.672 1.00 0.00 C ATOM 1258 OD1 ASN D 83 5.363 -12.149 3.955 1.00 0.00 O ATOM 1259 ND2 ASN D 83 4.771 -10.024 4.315 1.00 0.00 N ATOM 0 H ASN D 83 0.855 -10.045 1.887 1.00 0.00 H new ATOM 0 HA ASN D 83 2.561 -9.492 3.212 1.00 0.00 H new ATOM 0 HB2 ASN D 83 2.852 -12.005 2.902 1.00 0.00 H new ATOM 0 HB3 ASN D 83 4.060 -11.662 1.680 1.00 0.00 H new ATOM 0 HD21 ASN D 83 5.448 -9.922 5.071 1.00 0.00 H new ATOM 0 HD22 ASN D 83 4.176 -9.238 4.054 1.00 0.00 H new ATOM 1266 N ILE D 84 3.624 -7.680 1.749 1.00 0.00 N ATOM 1267 CA ILE D 84 4.450 -6.662 1.104 1.00 0.00 C ATOM 1268 C ILE D 84 5.762 -6.419 1.859 1.00 0.00 C ATOM 1269 O ILE D 84 5.812 -5.596 2.771 1.00 0.00 O ATOM 1270 CB ILE D 84 3.692 -5.322 0.989 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.339 -5.521 0.305 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.515 -4.304 0.217 1.00 0.00 C ATOM 1273 CD1 ILE D 84 1.540 -4.241 0.188 1.00 0.00 C ATOM 0 H ILE D 84 2.838 -7.310 2.283 1.00 0.00 H new ATOM 0 HA ILE D 84 4.682 -7.043 0.110 1.00 0.00 H new ATOM 0 HB ILE D 84 3.523 -4.946 1.998 1.00 0.00 H new ATOM 0 HG12 ILE D 84 2.499 -5.935 -0.691 1.00 0.00 H new ATOM 0 HG13 ILE D 84 1.759 -6.254 0.866 1.00 0.00 H new ATOM 0 HG21 ILE D 84 3.963 -3.367 0.147 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.459 -4.131 0.734 1.00 0.00 H new ATOM 0 HG23 ILE D 84 4.715 -4.683 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE D 84 0.591 -4.449 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE D 84 1.351 -3.838 1.183 1.00 0.00 H new ATOM 0 HD13 ILE D 84 2.102 -3.513 -0.397 1.00 0.00 H new ATOM 1285 N LYS D 85 6.853 -7.015 1.377 1.00 0.00 N ATOM 1286 CA LYS D 85 8.177 -6.710 1.917 1.00 0.00 C ATOM 1287 C LYS D 85 9.328 -7.083 0.973 1.00 0.00 C ATOM 1288 O LYS D 85 9.977 -8.118 1.127 1.00 0.00 O ATOM 1289 CB LYS D 85 8.371 -7.319 3.325 1.00 0.00 C ATOM 1290 CG LYS D 85 7.734 -8.697 3.618 1.00 0.00 C ATOM 1291 CD LYS D 85 8.320 -9.882 2.846 1.00 0.00 C ATOM 1292 CE LYS D 85 7.791 -9.979 1.422 1.00 0.00 C ATOM 1293 NZ LYS D 85 8.292 -11.187 0.715 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.847 -7.703 0.624 1.00 0.00 H new ATOM 0 HA LYS D 85 8.216 -5.625 2.012 1.00 0.00 H new ATOM 0 HB2 LYS D 85 9.442 -7.402 3.507 1.00 0.00 H new ATOM 0 HB3 LYS D 85 7.978 -6.609 4.052 1.00 0.00 H new ATOM 0 HG2 LYS D 85 7.829 -8.900 4.685 1.00 0.00 H new ATOM 0 HG3 LYS D 85 6.668 -8.637 3.399 1.00 0.00 H new ATOM 0 HD2 LYS D 85 9.406 -9.791 2.820 1.00 0.00 H new ATOM 0 HD3 LYS D 85 8.090 -10.805 3.378 1.00 0.00 H new ATOM 0 HE2 LYS D 85 6.701 -9.998 1.442 1.00 0.00 H new ATOM 0 HE3 LYS D 85 8.084 -9.088 0.867 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 7.905 -11.210 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 9.331 -11.158 0.671 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 7.991 -12.040 1.229 1.00 0.00 H new ATOM 1307 N GLY D 86 9.713 -6.113 0.152 1.00 0.00 N ATOM 1308 CA GLY D 86 10.926 -6.224 -0.642 1.00 0.00 C ATOM 1309 C GLY D 86 10.887 -7.286 -1.722 1.00 0.00 C ATOM 1310 O GLY D 86 10.137 -8.262 -1.645 1.00 0.00 O ATOM 0 H GLY D 86 9.201 -5.241 0.020 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.127 -5.260 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.761 -6.436 0.025 1.00 0.00 H new ATOM 1314 N PRO D 87 11.713 -7.109 -2.757 1.00 0.00 N ATOM 1315 CA PRO D 87 12.605 -5.955 -2.861 1.00 0.00 C ATOM 1316 C PRO D 87 11.924 -4.749 -3.516 1.00 0.00 C ATOM 1317 O PRO D 87 10.754 -4.835 -3.871 1.00 0.00 O ATOM 1318 CB PRO D 87 13.727 -6.505 -3.723 1.00 0.00 C ATOM 1319 CG PRO D 87 13.053 -7.458 -4.650 1.00 0.00 C ATOM 1320 CD PRO D 87 11.853 -8.011 -3.912 1.00 0.00 C ATOM 0 HA PRO D 87 12.935 -5.574 -1.894 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.233 -5.710 -4.270 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.483 -7.007 -3.118 1.00 0.00 H new ATOM 0 HG2 PRO D 87 12.745 -6.954 -5.566 1.00 0.00 H new ATOM 0 HG3 PRO D 87 13.732 -8.260 -4.940 1.00 0.00 H new ATOM 0 HD2 PRO D 87 10.960 -8.004 -4.537 1.00 0.00 H new ATOM 0 HD3 PRO D 87 12.015 -9.042 -3.598 1.00 0.00 H new ATOM 1328 N TYR D 88 12.672 -3.633 -3.599 1.00 0.00 N ATOM 1329 CA TYR D 88 12.209 -2.323 -4.134 1.00 0.00 C ATOM 1330 C TYR D 88 10.717 -2.272 -4.459 1.00 0.00 C ATOM 1331 O TYR D 88 10.311 -2.611 -5.565 1.00 0.00 O ATOM 1332 CB TYR D 88 12.993 -1.954 -5.401 1.00 0.00 C ATOM 1333 CG TYR D 88 14.491 -1.845 -5.205 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.250 -2.948 -4.845 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.139 -0.631 -5.371 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.616 -2.844 -4.656 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.501 -0.518 -5.187 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.235 -1.626 -4.830 1.00 0.00 C ATOM 1339 OH TYR D 88 18.593 -1.515 -4.645 1.00 0.00 O ATOM 0 H TYR D 88 13.643 -3.609 -3.289 1.00 0.00 H new ATOM 0 HA TYR D 88 12.392 -1.607 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.793 -2.703 -6.167 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.619 -1.003 -5.780 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.766 -3.904 -4.710 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.567 0.242 -5.649 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.193 -3.712 -4.374 1.00 0.00 H new ATOM 0 HE2 TYR D 88 16.989 0.436 -5.322 1.00 0.00 H new ATOM 0 HH TYR D 88 18.871 -0.589 -4.808 1.00 0.00 H new ATOM 1349 N ILE D 89 9.908 -1.838 -3.502 1.00 0.00 N ATOM 1350 CA ILE D 89 8.465 -1.747 -3.704 1.00 0.00 C ATOM 1351 C ILE D 89 7.970 -0.305 -3.730 1.00 0.00 C ATOM 1352 O ILE D 89 8.219 0.466 -2.802 1.00 0.00 O ATOM 1353 CB ILE D 89 7.707 -2.542 -2.619 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.048 -4.036 -2.732 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.210 -2.349 -2.763 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.369 -4.890 -1.687 1.00 0.00 C ATOM 0 H ILE D 89 10.224 -1.543 -2.578 1.00 0.00 H new ATOM 0 HA ILE D 89 8.260 -2.184 -4.681 1.00 0.00 H new ATOM 0 HB ILE D 89 8.015 -2.172 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE D 89 7.763 -4.392 -3.722 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.127 -4.162 -2.647 1.00 0.00 H new ATOM 0 HG21 ILE D 89 5.694 -2.917 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE D 89 5.968 -1.291 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE D 89 5.891 -2.699 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE D 89 7.655 -5.932 -1.827 1.00 0.00 H new ATOM 0 HD12 ILE D 89 7.674 -4.560 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.288 -4.794 -1.785 1.00 0.00 H new ATOM 1368 N GLU D 90 7.141 -0.005 -4.726 1.00 0.00 N ATOM 1369 CA GLU D 90 6.453 1.281 -4.793 1.00 0.00 C ATOM 1370 C GLU D 90 4.940 1.068 -4.779 1.00 0.00 C ATOM 1371 O GLU D 90 4.353 0.674 -5.780 1.00 0.00 O ATOM 1372 CB GLU D 90 6.840 2.059 -6.056 1.00 0.00 C ATOM 1373 CG GLU D 90 8.323 2.370 -6.170 1.00 0.00 C ATOM 1374 CD GLU D 90 8.827 3.220 -5.029 1.00 0.00 C ATOM 1375 OE1 GLU D 90 8.265 4.309 -4.805 1.00 0.00 O ATOM 1376 OE2 GLU D 90 9.804 2.813 -4.377 1.00 0.00 O1- ATOM 0 H GLU D 90 6.929 -0.636 -5.499 1.00 0.00 H new ATOM 0 HA GLU D 90 6.755 1.862 -3.922 1.00 0.00 H new ATOM 0 HB2 GLU D 90 6.533 1.485 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.282 2.995 -6.077 1.00 0.00 H new ATOM 0 HG2 GLU D 90 8.885 1.437 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU D 90 8.511 2.885 -7.112 1.00 0.00 H new ATOM 1383 N ILE D 91 4.328 1.287 -3.635 1.00 0.00 N ATOM 1384 CA ILE D 91 2.896 1.088 -3.471 1.00 0.00 C ATOM 1385 C ILE D 91 2.192 2.450 -3.607 1.00 0.00 C ATOM 1386 O ILE D 91 2.309 3.294 -2.714 1.00 0.00 O ATOM 1387 CB ILE D 91 2.613 0.490 -2.071 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.746 -0.426 -1.637 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.337 -0.336 -2.062 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.569 -0.951 -0.232 1.00 0.00 C ATOM 0 H ILE D 91 4.804 1.607 -2.792 1.00 0.00 H new ATOM 0 HA ILE D 91 2.524 0.401 -4.231 1.00 0.00 H new ATOM 0 HB ILE D 91 2.514 1.335 -1.390 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.813 -1.266 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.690 0.115 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.172 -0.739 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE D 91 0.493 0.294 -2.343 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.430 -1.156 -2.774 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.408 -1.599 0.023 1.00 0.00 H new ATOM 0 HD12 ILE D 91 3.531 -0.115 0.467 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.640 -1.518 -0.170 1.00 0.00 H new ATOM 1402 N LYS D 92 1.434 2.664 -4.691 1.00 0.00 N ATOM 1403 CA LYS D 92 0.704 3.919 -4.875 1.00 0.00 C ATOM 1404 C LYS D 92 -0.389 3.739 -5.924 1.00 0.00 C ATOM 1405 O LYS D 92 -0.384 2.747 -6.656 1.00 0.00 O ATOM 1406 CB LYS D 92 1.647 5.067 -5.289 1.00 0.00 C ATOM 1407 CG LYS D 92 1.869 5.225 -6.794 1.00 0.00 C ATOM 1408 CD LYS D 92 2.545 4.035 -7.462 1.00 0.00 C ATOM 1409 CE LYS D 92 2.631 4.272 -8.966 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.728 3.507 -9.614 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.313 1.989 -5.446 1.00 0.00 H new ATOM 0 HA LYS D 92 0.251 4.185 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS D 92 1.246 6.002 -4.898 1.00 0.00 H new ATOM 0 HB3 LYS D 92 2.614 4.910 -4.811 1.00 0.00 H new ATOM 0 HG2 LYS D 92 0.906 5.396 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS D 92 2.474 6.115 -6.968 1.00 0.00 H new ATOM 0 HD2 LYS D 92 3.543 3.892 -7.049 1.00 0.00 H new ATOM 0 HD3 LYS D 92 1.983 3.124 -7.259 1.00 0.00 H new ATOM 0 HE2 LYS D 92 1.682 3.996 -9.426 1.00 0.00 H new ATOM 0 HE3 LYS D 92 2.778 5.336 -9.153 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 3.869 3.856 -10.583 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 4.606 3.631 -9.070 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.478 2.498 -9.643 1.00 0.00 H new ATOM 1424 N GLN D 93 -1.267 4.732 -6.069 1.00 0.00 N ATOM 1425 CA GLN D 93 -2.264 4.665 -7.124 1.00 0.00 C ATOM 1426 C GLN D 93 -1.682 5.100 -8.452 1.00 0.00 C ATOM 1427 O GLN D 93 -0.566 5.616 -8.525 1.00 0.00 O ATOM 1428 CB GLN D 93 -3.523 5.457 -6.813 1.00 0.00 C ATOM 1429 CG GLN D 93 -3.273 6.917 -6.526 1.00 0.00 C ATOM 1430 CD GLN D 93 -4.533 7.648 -6.096 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -5.506 7.737 -6.849 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -4.529 8.167 -4.878 1.00 0.00 N ATOM 0 H GLN D 93 -1.305 5.567 -5.485 1.00 0.00 H new ATOM 0 HA GLN D 93 -2.560 3.618 -7.189 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -4.209 5.375 -7.656 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -4.020 5.008 -5.953 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -2.520 7.007 -5.743 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -2.865 7.395 -7.417 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -3.704 8.072 -4.286 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -5.351 8.662 -4.532 1.00 0.00 H new ATOM 1441 N ILE D 94 -2.340 4.657 -9.496 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.801 4.729 -10.835 1.00 0.00 C ATOM 1443 C ILE D 94 -2.856 5.173 -11.836 1.00 0.00 C ATOM 1444 O ILE D 94 -2.659 4.955 -13.045 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.283 3.347 -11.210 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.379 2.333 -10.928 1.00 0.00 C ATOM 1447 CG2 ILE D 94 -0.025 3.006 -10.438 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -1.970 0.901 -11.118 1.00 0.00 C ATOM 1449 OXT ILE D 94 -3.877 5.732 -11.402 1.00 0.00 O ATOM 0 H ILE D 94 -3.267 4.235 -9.442 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.997 5.465 -10.859 1.00 0.00 H new ATOM 0 HB ILE D 94 -1.023 3.330 -12.268 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.723 2.466 -9.902 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.227 2.544 -11.579 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.321 2.014 -10.727 1.00 0.00 H new ATOM 0 HG22 ILE D 94 0.749 3.740 -10.662 1.00 0.00 H new ATOM 0 HG23 ILE D 94 -0.239 3.019 -9.369 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -2.814 0.249 -10.895 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.655 0.746 -12.150 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.143 0.667 -10.447 1.00 0.00 H new TER 1461 ILE D 94