USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -144:sc= 0.0553 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0852) USER MOD Single : A 7 ASN : amide:sc= -0.816 K(o=-0.82,f=-4.8!) USER MOD Single : A 10 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00994) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= -0.341 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0233) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.00155 K(o=0.0016,f=-3.3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 80:sc= 0.441 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.74 K(o=-1.7,f=-2.4!) USER MOD Single : A 51 SER OG : rot -20:sc= 0.39 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -110:sc= -0.0622 (180deg=-0.43) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 58 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.32! X(o=-1.3!,f=-1.8) USER MOD Single : A 61 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 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.854 23.320 1.689 1.00 0.00 N ATOM 2 CA MET A 1 -10.337 21.971 1.275 1.00 0.00 C ATOM 3 C MET A 1 -9.586 20.881 2.042 1.00 0.00 C ATOM 4 O MET A 1 -8.826 21.162 2.951 1.00 0.00 O ATOM 5 CB MET A 1 -10.029 21.883 -0.221 1.00 0.00 C ATOM 6 CG MET A 1 -11.145 21.111 -0.927 1.00 0.00 C ATOM 7 SD MET A 1 -11.239 21.636 -2.657 1.00 0.00 S ATOM 8 CE MET A 1 -13.036 21.827 -2.740 1.00 0.00 C ATOM 0 H1 MET A 1 -10.651 23.988 1.695 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.443 23.264 2.642 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.131 23.651 1.019 1.00 0.00 H new ATOM 0 HA MET A 1 -11.398 21.831 1.483 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.940 22.884 -0.644 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.072 21.385 -0.377 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.953 20.040 -0.871 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.098 21.291 -0.429 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.322 22.152 -3.740 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.514 20.873 -2.518 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.357 22.571 -2.011 1.00 0.00 H new ATOM 20 N LYS A 2 -9.794 19.640 1.682 1.00 0.00 N ATOM 21 CA LYS A 2 -9.096 18.522 2.385 1.00 0.00 C ATOM 22 C LYS A 2 -7.702 18.314 1.787 1.00 0.00 C ATOM 23 O LYS A 2 -6.704 18.379 2.481 1.00 0.00 O ATOM 24 CB LYS A 2 -9.972 17.292 2.141 1.00 0.00 C ATOM 25 CG LYS A 2 -11.045 17.205 3.228 1.00 0.00 C ATOM 26 CD LYS A 2 -12.112 18.273 2.980 1.00 0.00 C ATOM 27 CE LYS A 2 -13.425 17.851 3.638 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.480 18.171 2.636 1.00 0.00 N ATOM 0 H LYS A 2 -10.419 19.352 0.929 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.961 18.721 3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.439 17.355 1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.360 16.390 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.500 16.214 3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.595 17.347 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.783 19.230 3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.259 18.412 1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.421 16.788 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.590 18.390 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.412 17.909 3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.465 19.190 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.301 17.638 1.761 1.00 0.00 H new ATOM 42 N LYS A 3 -7.629 18.061 0.505 1.00 0.00 N ATOM 43 CA LYS A 3 -6.302 17.842 -0.149 1.00 0.00 C ATOM 44 C LYS A 3 -5.416 19.081 0.015 1.00 0.00 C ATOM 45 O LYS A 3 -5.632 20.096 -0.620 1.00 0.00 O ATOM 46 CB LYS A 3 -6.614 17.601 -1.627 1.00 0.00 C ATOM 47 CG LYS A 3 -5.425 16.904 -2.290 1.00 0.00 C ATOM 48 CD LYS A 3 -5.763 16.593 -3.749 1.00 0.00 C ATOM 49 CE LYS A 3 -4.670 15.703 -4.347 1.00 0.00 C ATOM 50 NZ LYS A 3 -5.051 15.535 -5.777 1.00 0.00 N ATOM 0 H LYS A 3 -8.433 17.996 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.763 17.004 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.510 16.988 -1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.819 18.548 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.542 17.541 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.186 15.984 -1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.729 16.092 -3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.846 17.518 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.688 16.166 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.620 14.741 -3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.349 14.936 -6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.987 15.086 -5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.084 16.466 -6.239 1.00 0.00 H new ATOM 64 N LYS A 4 -4.423 19.001 0.864 1.00 0.00 N ATOM 65 CA LYS A 4 -3.517 20.170 1.078 1.00 0.00 C ATOM 66 C LYS A 4 -2.815 20.548 -0.231 1.00 0.00 C ATOM 67 O LYS A 4 -3.140 21.542 -0.853 1.00 0.00 O ATOM 68 CB LYS A 4 -2.496 19.705 2.120 1.00 0.00 C ATOM 69 CG LYS A 4 -3.124 19.770 3.514 1.00 0.00 C ATOM 70 CD LYS A 4 -2.190 19.104 4.527 1.00 0.00 C ATOM 71 CE LYS A 4 -2.573 19.544 5.941 1.00 0.00 C ATOM 72 NZ LYS A 4 -3.824 18.797 6.251 1.00 0.00 N ATOM 0 H LYS A 4 -4.200 18.175 1.419 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.062 21.053 1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.175 18.687 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.607 20.335 2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.303 20.808 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.092 19.269 3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.258 18.019 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.156 19.376 4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.784 19.307 6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.734 20.621 5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.597 19.471 6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.072 18.187 5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.678 18.211 7.098 1.00 0.00 H new ATOM 86 N ASP A 5 -1.857 19.760 -0.652 1.00 0.00 N ATOM 87 CA ASP A 5 -1.129 20.068 -1.920 1.00 0.00 C ATOM 88 C ASP A 5 -0.462 18.798 -2.474 1.00 0.00 C ATOM 89 O ASP A 5 -0.391 17.796 -1.791 1.00 0.00 O ATOM 90 CB ASP A 5 -0.071 21.100 -1.528 1.00 0.00 C ATOM 91 CG ASP A 5 -0.651 22.507 -1.676 1.00 0.00 C ATOM 92 OD1 ASP A 5 -0.900 22.909 -2.802 1.00 0.00 O ATOM 93 OD2 ASP A 5 -0.836 23.160 -0.663 1.00 0.00 O ATOM 0 H ASP A 5 -1.548 18.915 -0.171 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.796 20.441 -2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.251 20.934 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.811 20.990 -2.159 1.00 0.00 H new ATOM 98 N PRO A 6 0.008 18.873 -3.703 1.00 0.00 N ATOM 99 CA PRO A 6 0.669 17.698 -4.328 1.00 0.00 C ATOM 100 C PRO A 6 2.053 17.474 -3.711 1.00 0.00 C ATOM 101 O PRO A 6 2.401 16.369 -3.336 1.00 0.00 O ATOM 102 CB PRO A 6 0.788 18.089 -5.798 1.00 0.00 C ATOM 103 CG PRO A 6 0.784 19.583 -5.806 1.00 0.00 C ATOM 104 CD PRO A 6 -0.025 20.029 -4.616 1.00 0.00 C ATOM 0 HA PRO A 6 0.116 16.770 -4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.704 17.695 -6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.042 17.690 -6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.801 19.971 -5.748 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.350 19.962 -6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.406 20.916 -4.151 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -1.046 20.282 -4.901 1.00 0.00 H new ATOM 112 N ASN A 7 2.847 18.510 -3.622 1.00 0.00 N ATOM 113 CA ASN A 7 4.220 18.359 -3.046 1.00 0.00 C ATOM 114 C ASN A 7 4.175 18.306 -1.512 1.00 0.00 C ATOM 115 O ASN A 7 5.172 18.025 -0.873 1.00 0.00 O ATOM 116 CB ASN A 7 4.985 19.600 -3.512 1.00 0.00 C ATOM 117 CG ASN A 7 5.132 19.570 -5.033 1.00 0.00 C ATOM 118 OD1 ASN A 7 4.254 19.102 -5.732 1.00 0.00 O ATOM 119 ND2 ASN A 7 6.213 20.053 -5.581 1.00 0.00 N ATOM 0 H ASN A 7 2.605 19.454 -3.923 1.00 0.00 H new ATOM 0 HA ASN A 7 4.692 17.433 -3.373 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.456 20.502 -3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 7 5.968 19.632 -3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 7 6.321 20.038 -6.595 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.950 20.446 -4.995 1.00 0.00 H new ATOM 126 N ALA A 8 3.033 18.555 -0.914 1.00 0.00 N ATOM 127 CA ALA A 8 2.938 18.496 0.575 1.00 0.00 C ATOM 128 C ALA A 8 2.685 17.044 1.011 1.00 0.00 C ATOM 129 O ALA A 8 1.978 16.323 0.335 1.00 0.00 O ATOM 130 CB ALA A 8 1.745 19.383 0.934 1.00 0.00 C ATOM 0 H ALA A 8 2.166 18.796 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 8 3.849 18.832 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.610 19.391 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.928 20.399 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.845 18.992 0.459 1.00 0.00 H new ATOM 136 N PRO A 9 3.272 16.646 2.120 1.00 0.00 N ATOM 137 CA PRO A 9 3.084 15.255 2.602 1.00 0.00 C ATOM 138 C PRO A 9 1.655 15.049 3.114 1.00 0.00 C ATOM 139 O PRO A 9 1.352 15.323 4.261 1.00 0.00 O ATOM 140 CB PRO A 9 4.098 15.123 3.734 1.00 0.00 C ATOM 141 CG PRO A 9 4.329 16.519 4.211 1.00 0.00 C ATOM 142 CD PRO A 9 4.142 17.423 3.020 1.00 0.00 C ATOM 0 HA PRO A 9 3.231 14.510 1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.715 14.491 4.535 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.024 14.668 3.383 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.629 16.777 5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.332 16.626 4.623 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.680 18.368 3.304 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.094 17.663 2.547 1.00 0.00 H new ATOM 150 N LYS A 10 0.781 14.564 2.269 1.00 0.00 N ATOM 151 CA LYS A 10 -0.632 14.331 2.695 1.00 0.00 C ATOM 152 C LYS A 10 -0.686 13.209 3.733 1.00 0.00 C ATOM 153 O LYS A 10 0.335 12.740 4.202 1.00 0.00 O ATOM 154 CB LYS A 10 -1.378 13.922 1.423 1.00 0.00 C ATOM 155 CG LYS A 10 -2.202 15.101 0.902 1.00 0.00 C ATOM 156 CD LYS A 10 -2.284 15.031 -0.625 1.00 0.00 C ATOM 157 CE LYS A 10 -3.116 13.815 -1.037 1.00 0.00 C ATOM 158 NZ LYS A 10 -2.591 13.425 -2.375 1.00 0.00 N ATOM 0 H LYS A 10 0.986 14.319 1.300 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.075 15.215 3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.668 13.599 0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.031 13.074 1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.203 15.077 1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.745 16.042 1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.734 15.943 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.283 14.961 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.009 13.002 -0.319 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.177 14.061 -1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.135 12.617 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.681 14.227 -3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.590 13.158 -2.290 1.00 0.00 H new ATOM 172 N ARG A 11 -1.868 12.773 4.100 1.00 0.00 N ATOM 173 CA ARG A 11 -1.993 11.676 5.116 1.00 0.00 C ATOM 174 C ARG A 11 -1.133 10.460 4.713 1.00 0.00 C ATOM 175 O ARG A 11 -1.129 10.075 3.560 1.00 0.00 O ATOM 176 CB ARG A 11 -3.476 11.296 5.111 1.00 0.00 C ATOM 177 CG ARG A 11 -4.232 12.169 6.115 1.00 0.00 C ATOM 178 CD ARG A 11 -5.714 12.214 5.736 1.00 0.00 C ATOM 179 NE ARG A 11 -6.297 13.286 6.590 1.00 0.00 N ATOM 180 CZ ARG A 11 -6.791 14.362 6.041 1.00 0.00 C ATOM 181 NH1 ARG A 11 -7.874 14.287 5.317 1.00 0.00 N ATOM 182 NH2 ARG A 11 -6.203 15.513 6.216 1.00 0.00 N ATOM 0 H ARG A 11 -2.753 13.129 3.740 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.650 11.995 6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.893 11.428 4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.593 10.243 5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.115 11.769 7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.817 13.177 6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.844 12.438 4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.198 11.255 5.921 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.310 13.179 7.604 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.335 13.387 5.180 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.260 15.128 4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.357 15.572 6.782 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.590 16.354 5.787 1.00 0.00 H new ATOM 196 N PRO A 12 -0.427 9.888 5.669 1.00 0.00 N ATOM 197 CA PRO A 12 0.428 8.716 5.361 1.00 0.00 C ATOM 198 C PRO A 12 -0.441 7.460 5.159 1.00 0.00 C ATOM 199 O PRO A 12 -1.269 7.155 5.995 1.00 0.00 O ATOM 200 CB PRO A 12 1.305 8.570 6.599 1.00 0.00 C ATOM 201 CG PRO A 12 0.527 9.202 7.706 1.00 0.00 C ATOM 202 CD PRO A 12 -0.352 10.260 7.092 1.00 0.00 C ATOM 0 HA PRO A 12 1.009 8.840 4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.513 7.522 6.813 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.267 9.064 6.461 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.075 8.457 8.226 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.198 9.641 8.444 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.340 10.273 7.553 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.073 11.255 7.221 1.00 0.00 H new ATOM 210 N PRO A 13 -0.234 6.764 4.060 1.00 0.00 N ATOM 211 CA PRO A 13 -1.026 5.544 3.789 1.00 0.00 C ATOM 212 C PRO A 13 -0.431 4.350 4.538 1.00 0.00 C ATOM 213 O PRO A 13 0.612 4.455 5.157 1.00 0.00 O ATOM 214 CB PRO A 13 -0.897 5.359 2.282 1.00 0.00 C ATOM 215 CG PRO A 13 0.382 6.042 1.897 1.00 0.00 C ATOM 216 CD PRO A 13 0.732 7.032 2.983 1.00 0.00 C ATOM 0 HA PRO A 13 -2.063 5.623 4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.871 4.302 2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.747 5.797 1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.182 5.311 1.776 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.268 6.551 0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.757 6.895 3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.650 8.058 2.624 1.00 0.00 H new ATOM 224 N SER A 14 -1.085 3.216 4.489 1.00 0.00 N ATOM 225 CA SER A 14 -0.558 2.014 5.201 1.00 0.00 C ATOM 226 C SER A 14 -1.117 0.730 4.578 1.00 0.00 C ATOM 227 O SER A 14 -1.888 0.016 5.189 1.00 0.00 O ATOM 228 CB SER A 14 -1.042 2.169 6.643 1.00 0.00 C ATOM 229 OG SER A 14 -0.426 1.176 7.454 1.00 0.00 O ATOM 0 H SER A 14 -1.961 3.072 3.986 1.00 0.00 H new ATOM 0 HA SER A 14 0.528 1.942 5.138 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.797 3.163 7.016 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.127 2.070 6.688 1.00 0.00 H new ATOM 0 HG SER A 14 -0.733 1.273 8.380 1.00 0.00 H new ATOM 235 N ALA A 15 -0.734 0.428 3.357 1.00 0.00 N ATOM 236 CA ALA A 15 -1.230 -0.809 2.664 1.00 0.00 C ATOM 237 C ALA A 15 -2.735 -0.715 2.411 1.00 0.00 C ATOM 238 O ALA A 15 -3.161 -0.475 1.297 1.00 0.00 O ATOM 239 CB ALA A 15 -0.895 -1.998 3.581 1.00 0.00 C ATOM 0 H ALA A 15 -0.090 0.994 2.804 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.754 -0.931 1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.238 -2.923 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.183 -2.047 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.392 -1.868 4.542 1.00 0.00 H new ATOM 245 N PHE A 16 -3.548 -0.912 3.424 1.00 0.00 N ATOM 246 CA PHE A 16 -5.039 -0.842 3.236 1.00 0.00 C ATOM 247 C PHE A 16 -5.443 0.422 2.468 1.00 0.00 C ATOM 248 O PHE A 16 -6.264 0.377 1.572 1.00 0.00 O ATOM 249 CB PHE A 16 -5.609 -0.796 4.654 1.00 0.00 C ATOM 250 CG PHE A 16 -7.071 -1.177 4.626 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.457 -2.444 4.174 1.00 0.00 C ATOM 252 CD2 PHE A 16 -8.040 -0.260 5.052 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.812 -2.795 4.148 1.00 0.00 C ATOM 254 CE2 PHE A 16 -9.395 -0.612 5.026 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.781 -1.879 4.574 1.00 0.00 C ATOM 0 H PHE A 16 -3.245 -1.119 4.376 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.411 -1.688 2.658 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.057 -1.478 5.301 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.491 0.204 5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.710 -3.151 3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.742 0.718 5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.110 -3.773 3.799 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.143 0.095 5.355 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.826 -2.150 4.554 1.00 0.00 H new ATOM 265 N PHE A 17 -4.863 1.540 2.815 1.00 0.00 N ATOM 266 CA PHE A 17 -5.201 2.810 2.108 1.00 0.00 C ATOM 267 C PHE A 17 -4.785 2.716 0.638 1.00 0.00 C ATOM 268 O PHE A 17 -5.346 3.377 -0.215 1.00 0.00 O ATOM 269 CB PHE A 17 -4.397 3.899 2.823 1.00 0.00 C ATOM 270 CG PHE A 17 -4.955 5.255 2.461 1.00 0.00 C ATOM 271 CD1 PHE A 17 -4.594 5.861 1.252 1.00 0.00 C ATOM 272 CD2 PHE A 17 -5.834 5.906 3.335 1.00 0.00 C ATOM 273 CE1 PHE A 17 -5.112 7.118 0.917 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.351 7.163 2.999 1.00 0.00 C ATOM 275 CZ PHE A 17 -5.990 7.769 1.790 1.00 0.00 C ATOM 0 H PHE A 17 -4.170 1.629 3.558 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.270 3.020 2.128 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.443 3.751 3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.347 3.838 2.537 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.916 5.359 0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.113 5.439 4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.833 7.585 -0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.029 7.665 3.673 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.389 8.739 1.531 1.00 0.00 H new ATOM 285 N LEU A 18 -3.796 1.909 0.336 1.00 0.00 N ATOM 286 CA LEU A 18 -3.330 1.781 -1.083 1.00 0.00 C ATOM 287 C LEU A 18 -4.113 0.681 -1.804 1.00 0.00 C ATOM 288 O LEU A 18 -4.283 0.722 -3.008 1.00 0.00 O ATOM 289 CB LEU A 18 -1.841 1.384 -1.012 1.00 0.00 C ATOM 290 CG LEU A 18 -1.075 2.244 0.008 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.405 1.858 -0.014 1.00 0.00 C ATOM 292 CD2 LEU A 18 -1.215 3.728 -0.351 1.00 0.00 C ATOM 0 H LEU A 18 -3.291 1.333 1.010 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.479 2.713 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.757 0.332 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.387 1.495 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.488 2.073 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.950 2.466 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.510 0.805 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.811 2.028 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.670 4.331 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.806 3.902 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.268 4.008 -0.338 1.00 0.00 H new ATOM 304 N PHE A 19 -4.579 -0.304 -1.080 1.00 0.00 N ATOM 305 CA PHE A 19 -5.339 -1.421 -1.721 1.00 0.00 C ATOM 306 C PHE A 19 -6.767 -0.983 -2.054 1.00 0.00 C ATOM 307 O PHE A 19 -7.207 -1.084 -3.182 1.00 0.00 O ATOM 308 CB PHE A 19 -5.354 -2.540 -0.677 1.00 0.00 C ATOM 309 CG PHE A 19 -5.986 -3.778 -1.264 1.00 0.00 C ATOM 310 CD1 PHE A 19 -7.381 -3.893 -1.317 1.00 0.00 C ATOM 311 CD2 PHE A 19 -5.179 -4.812 -1.752 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.968 -5.043 -1.858 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.766 -5.962 -2.292 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.161 -6.078 -2.345 1.00 0.00 C ATOM 0 H PHE A 19 -4.466 -0.384 -0.069 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.883 -1.738 -2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.337 -2.759 -0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.909 -2.220 0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.004 -3.095 -0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.103 -4.723 -1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.044 -5.132 -1.900 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.143 -6.760 -2.668 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.614 -6.966 -2.761 1.00 0.00 H new ATOM 324 N CYS A 20 -7.488 -0.494 -1.078 1.00 0.00 N ATOM 325 CA CYS A 20 -8.893 -0.047 -1.334 1.00 0.00 C ATOM 326 C CYS A 20 -8.905 1.118 -2.326 1.00 0.00 C ATOM 327 O CYS A 20 -9.795 1.240 -3.144 1.00 0.00 O ATOM 328 CB CYS A 20 -9.428 0.404 0.026 1.00 0.00 C ATOM 329 SG CYS A 20 -11.232 0.532 -0.045 1.00 0.00 S ATOM 0 H CYS A 20 -7.167 -0.384 -0.116 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.502 -0.841 -1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.134 -0.307 0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.995 1.367 0.298 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.686 0.913 1.112 1.00 0.00 H new ATOM 335 N SER A 21 -7.921 1.976 -2.252 1.00 0.00 N ATOM 336 CA SER A 21 -7.865 3.144 -3.183 1.00 0.00 C ATOM 337 C SER A 21 -7.559 2.692 -4.617 1.00 0.00 C ATOM 338 O SER A 21 -7.802 3.419 -5.562 1.00 0.00 O ATOM 339 CB SER A 21 -6.735 4.027 -2.651 1.00 0.00 C ATOM 340 OG SER A 21 -6.613 5.180 -3.474 1.00 0.00 O ATOM 0 H SER A 21 -7.151 1.919 -1.585 1.00 0.00 H new ATOM 0 HA SER A 21 -8.818 3.672 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.941 4.321 -1.622 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.797 3.471 -2.642 1.00 0.00 H new ATOM 0 HG SER A 21 -5.891 5.749 -3.135 1.00 0.00 H new ATOM 346 N GLU A 22 -7.013 1.511 -4.789 1.00 0.00 N ATOM 347 CA GLU A 22 -6.678 1.034 -6.167 1.00 0.00 C ATOM 348 C GLU A 22 -7.575 -0.139 -6.592 1.00 0.00 C ATOM 349 O GLU A 22 -7.666 -0.453 -7.764 1.00 0.00 O ATOM 350 CB GLU A 22 -5.224 0.584 -6.080 1.00 0.00 C ATOM 351 CG GLU A 22 -4.299 1.788 -6.269 1.00 0.00 C ATOM 352 CD GLU A 22 -4.449 2.331 -7.692 1.00 0.00 C ATOM 353 OE1 GLU A 22 -4.065 1.633 -8.615 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.945 3.438 -7.832 1.00 0.00 O ATOM 0 H GLU A 22 -6.786 0.860 -4.037 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.833 1.817 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.035 0.116 -5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.020 -0.167 -6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.544 2.565 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.264 1.497 -6.087 1.00 0.00 H new ATOM 361 N TYR A 23 -8.226 -0.793 -5.659 1.00 0.00 N ATOM 362 CA TYR A 23 -9.101 -1.950 -6.031 1.00 0.00 C ATOM 363 C TYR A 23 -10.526 -1.480 -6.343 1.00 0.00 C ATOM 364 O TYR A 23 -11.203 -2.058 -7.170 1.00 0.00 O ATOM 365 CB TYR A 23 -9.088 -2.875 -4.814 1.00 0.00 C ATOM 366 CG TYR A 23 -7.987 -3.898 -4.974 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.647 -3.498 -4.920 1.00 0.00 C ATOM 368 CD2 TYR A 23 -8.307 -5.244 -5.183 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.627 -4.445 -5.074 1.00 0.00 C ATOM 370 CE2 TYR A 23 -7.287 -6.191 -5.338 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.947 -5.791 -5.284 1.00 0.00 C ATOM 372 OH TYR A 23 -4.941 -6.724 -5.437 1.00 0.00 O ATOM 0 H TYR A 23 -8.190 -0.577 -4.663 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.742 -2.455 -6.927 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.932 -2.295 -3.904 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.052 -3.374 -4.712 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.400 -2.459 -4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.341 -5.553 -5.225 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.593 -4.136 -5.031 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.534 -7.230 -5.499 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.335 -7.611 -5.573 1.00 0.00 H new ATOM 382 N ARG A 24 -10.988 -0.440 -5.690 1.00 0.00 N ATOM 383 CA ARG A 24 -12.372 0.069 -5.949 1.00 0.00 C ATOM 384 C ARG A 24 -12.645 0.244 -7.455 1.00 0.00 C ATOM 385 O ARG A 24 -13.623 -0.281 -7.940 1.00 0.00 O ATOM 386 CB ARG A 24 -12.459 1.414 -5.236 1.00 0.00 C ATOM 387 CG ARG A 24 -12.557 1.186 -3.725 1.00 0.00 C ATOM 388 CD ARG A 24 -12.234 2.487 -2.983 1.00 0.00 C ATOM 389 NE ARG A 24 -13.545 2.977 -2.474 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.609 3.599 -1.329 1.00 0.00 C ATOM 391 NH1 ARG A 24 -13.355 4.878 -1.265 1.00 0.00 N ATOM 392 NH2 ARG A 24 -13.927 2.943 -0.247 1.00 0.00 N ATOM 0 H ARG A 24 -10.464 0.080 -4.986 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.117 -0.639 -5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.581 2.018 -5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.329 1.969 -5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.559 0.846 -3.463 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.865 0.401 -3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.534 2.312 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.772 3.216 -3.648 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.393 2.826 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.106 5.392 -2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.405 5.364 -0.369 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.126 1.944 -0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.977 3.429 0.648 1.00 0.00 H new ATOM 406 N PRO A 25 -11.778 0.956 -8.163 1.00 0.00 N ATOM 407 CA PRO A 25 -11.988 1.153 -9.628 1.00 0.00 C ATOM 408 C PRO A 25 -12.018 -0.198 -10.339 1.00 0.00 C ATOM 409 O PRO A 25 -12.678 -0.365 -11.347 1.00 0.00 O ATOM 410 CB PRO A 25 -10.798 2.014 -10.052 1.00 0.00 C ATOM 411 CG PRO A 25 -9.771 1.767 -9.002 1.00 0.00 C ATOM 412 CD PRO A 25 -10.539 1.617 -7.717 1.00 0.00 C ATOM 0 HA PRO A 25 -12.935 1.631 -9.879 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.434 1.730 -11.039 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.069 3.069 -10.103 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.193 0.869 -9.221 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.064 2.594 -8.942 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.997 1.014 -6.988 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.739 2.581 -7.249 1.00 0.00 H new ATOM 420 N LYS A 26 -11.341 -1.174 -9.792 1.00 0.00 N ATOM 421 CA LYS A 26 -11.364 -2.535 -10.401 1.00 0.00 C ATOM 422 C LYS A 26 -12.754 -3.124 -10.192 1.00 0.00 C ATOM 423 O LYS A 26 -13.364 -3.667 -11.094 1.00 0.00 O ATOM 424 CB LYS A 26 -10.340 -3.343 -9.613 1.00 0.00 C ATOM 425 CG LYS A 26 -9.942 -4.586 -10.411 1.00 0.00 C ATOM 426 CD LYS A 26 -11.034 -5.648 -10.279 1.00 0.00 C ATOM 427 CE LYS A 26 -10.469 -7.015 -10.670 1.00 0.00 C ATOM 428 NZ LYS A 26 -11.386 -8.005 -10.039 1.00 0.00 N ATOM 0 H LYS A 26 -10.773 -1.086 -8.949 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.139 -2.531 -11.467 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.460 -2.733 -9.408 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.756 -3.635 -8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.797 -4.327 -11.460 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.993 -4.978 -10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.406 -5.676 -9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.880 -5.396 -10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.442 -7.136 -11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.447 -7.138 -10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.064 -8.968 -10.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.386 -7.870 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.350 -7.869 -10.406 1.00 0.00 H new ATOM 442 N ILE A 27 -13.254 -3.007 -8.989 1.00 0.00 N ATOM 443 CA ILE A 27 -14.613 -3.541 -8.663 1.00 0.00 C ATOM 444 C ILE A 27 -15.659 -2.920 -9.595 1.00 0.00 C ATOM 445 O ILE A 27 -16.640 -3.545 -9.935 1.00 0.00 O ATOM 446 CB ILE A 27 -14.883 -3.094 -7.212 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.849 -3.718 -6.255 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.298 -3.506 -6.781 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.992 -5.242 -6.231 1.00 0.00 C ATOM 0 H ILE A 27 -12.774 -2.559 -8.209 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.665 -4.623 -8.781 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.798 -2.008 -7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.842 -3.446 -6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.987 -3.318 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.474 -3.184 -5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.030 -3.037 -7.439 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.396 -4.590 -6.843 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.254 -5.666 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.993 -5.508 -5.892 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.831 -5.638 -7.233 1.00 0.00 H new ATOM 461 N LYS A 28 -15.474 -1.678 -9.965 1.00 0.00 N ATOM 462 CA LYS A 28 -16.486 -0.994 -10.829 1.00 0.00 C ATOM 463 C LYS A 28 -16.467 -1.579 -12.246 1.00 0.00 C ATOM 464 O LYS A 28 -17.499 -1.735 -12.872 1.00 0.00 O ATOM 465 CB LYS A 28 -16.114 0.511 -10.875 1.00 0.00 C ATOM 466 CG LYS A 28 -15.599 1.082 -9.528 1.00 0.00 C ATOM 467 CD LYS A 28 -16.300 0.483 -8.291 1.00 0.00 C ATOM 468 CE LYS A 28 -17.817 0.651 -8.414 1.00 0.00 C ATOM 469 NZ LYS A 28 -18.083 2.055 -7.996 1.00 0.00 N ATOM 0 H LYS A 28 -14.668 -1.108 -9.707 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.488 -1.136 -10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.349 0.661 -11.636 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.990 1.080 -11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.527 0.898 -9.452 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.738 2.163 -9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.050 -0.574 -8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.944 0.976 -7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.152 0.473 -9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.346 -0.058 -7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.109 2.222 -7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.684 2.217 -7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.642 2.709 -8.674 1.00 0.00 H new ATOM 483 N SER A 29 -15.304 -1.889 -12.758 1.00 0.00 N ATOM 484 CA SER A 29 -15.210 -2.451 -14.144 1.00 0.00 C ATOM 485 C SER A 29 -16.026 -3.742 -14.268 1.00 0.00 C ATOM 486 O SER A 29 -16.459 -4.108 -15.345 1.00 0.00 O ATOM 487 CB SER A 29 -13.724 -2.741 -14.361 1.00 0.00 C ATOM 488 OG SER A 29 -13.516 -3.141 -15.709 1.00 0.00 O ATOM 0 H SER A 29 -14.412 -1.778 -12.277 1.00 0.00 H new ATOM 0 HA SER A 29 -15.607 -1.757 -14.885 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.132 -1.854 -14.137 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.392 -3.526 -13.681 1.00 0.00 H new ATOM 0 HG SER A 29 -12.564 -3.326 -15.852 1.00 0.00 H new ATOM 494 N GLU A 30 -16.229 -4.437 -13.179 1.00 0.00 N ATOM 495 CA GLU A 30 -17.008 -5.711 -13.232 1.00 0.00 C ATOM 496 C GLU A 30 -18.304 -5.593 -12.419 1.00 0.00 C ATOM 497 O GLU A 30 -19.262 -6.300 -12.664 1.00 0.00 O ATOM 498 CB GLU A 30 -16.079 -6.762 -12.613 1.00 0.00 C ATOM 499 CG GLU A 30 -15.492 -7.648 -13.714 1.00 0.00 C ATOM 500 CD GLU A 30 -16.536 -8.675 -14.155 1.00 0.00 C ATOM 501 OE1 GLU A 30 -16.714 -9.653 -13.447 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.142 -8.467 -15.194 1.00 0.00 O ATOM 0 H GLU A 30 -15.888 -4.177 -12.253 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.305 -5.967 -14.249 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.277 -6.272 -12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.631 -7.372 -11.898 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.187 -7.037 -14.563 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.599 -8.155 -13.349 1.00 0.00 H new ATOM 509 N HIS A 31 -18.336 -4.707 -11.457 1.00 0.00 N ATOM 510 CA HIS A 31 -19.567 -4.541 -10.625 1.00 0.00 C ATOM 511 C HIS A 31 -20.090 -3.103 -10.766 1.00 0.00 C ATOM 512 O HIS A 31 -19.620 -2.212 -10.086 1.00 0.00 O ATOM 513 CB HIS A 31 -19.142 -4.808 -9.171 1.00 0.00 C ATOM 514 CG HIS A 31 -18.382 -6.107 -9.067 1.00 0.00 C ATOM 515 ND1 HIS A 31 -16.998 -6.154 -9.123 1.00 0.00 N ATOM 516 CD2 HIS A 31 -18.796 -7.407 -8.910 1.00 0.00 C ATOM 517 CE1 HIS A 31 -16.631 -7.441 -9.000 1.00 0.00 C ATOM 518 NE2 HIS A 31 -17.687 -8.248 -8.867 1.00 0.00 N ATOM 0 H HIS A 31 -17.562 -4.090 -11.211 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.360 -5.221 -10.935 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.520 -3.988 -8.812 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.023 -4.844 -8.530 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.372 -5.357 -9.237 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -19.824 -7.728 -8.832 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.606 -7.782 -9.008 1.00 0.00 H new ATOM 526 N PRO A 32 -21.045 -2.913 -11.650 1.00 0.00 N ATOM 527 CA PRO A 32 -21.609 -1.559 -11.862 1.00 0.00 C ATOM 528 C PRO A 32 -22.537 -1.179 -10.711 1.00 0.00 C ATOM 529 O PRO A 32 -22.684 -0.018 -10.376 1.00 0.00 O ATOM 530 CB PRO A 32 -22.387 -1.693 -13.166 1.00 0.00 C ATOM 531 CG PRO A 32 -22.726 -3.147 -13.281 1.00 0.00 C ATOM 532 CD PRO A 32 -21.683 -3.918 -12.516 1.00 0.00 C ATOM 0 HA PRO A 32 -20.847 -0.781 -11.905 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.288 -1.080 -13.150 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.790 -1.361 -14.015 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -23.719 -3.342 -12.877 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.741 -3.456 -14.326 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.132 -4.720 -11.930 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.959 -4.381 -13.187 1.00 0.00 H new ATOM 540 N GLY A 33 -23.162 -2.151 -10.105 1.00 0.00 N ATOM 541 CA GLY A 33 -24.085 -1.864 -8.971 1.00 0.00 C ATOM 542 C GLY A 33 -23.294 -1.710 -7.663 1.00 0.00 C ATOM 543 O GLY A 33 -23.812 -1.214 -6.685 1.00 0.00 O ATOM 0 H GLY A 33 -23.072 -3.137 -10.348 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.647 -0.952 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.811 -2.671 -8.872 1.00 0.00 H new ATOM 547 N LEU A 34 -22.055 -2.149 -7.636 1.00 0.00 N ATOM 548 CA LEU A 34 -21.227 -2.044 -6.384 1.00 0.00 C ATOM 549 C LEU A 34 -21.098 -0.583 -5.921 1.00 0.00 C ATOM 550 O LEU A 34 -20.113 0.078 -6.194 1.00 0.00 O ATOM 551 CB LEU A 34 -19.844 -2.609 -6.770 1.00 0.00 C ATOM 552 CG LEU A 34 -19.534 -3.887 -5.973 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.364 -3.539 -4.494 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.670 -4.909 -6.134 1.00 0.00 C ATOM 0 H LEU A 34 -21.578 -2.577 -8.430 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.682 -2.588 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.820 -2.826 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.075 -1.861 -6.580 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.612 -4.324 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.144 -4.445 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.543 -2.832 -4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.284 -3.091 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.435 -5.808 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.601 -4.479 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.781 -5.167 -7.187 1.00 0.00 H new ATOM 566 N SER A 35 -22.082 -0.082 -5.217 1.00 0.00 N ATOM 567 CA SER A 35 -22.021 1.330 -4.727 1.00 0.00 C ATOM 568 C SER A 35 -20.957 1.450 -3.633 1.00 0.00 C ATOM 569 O SER A 35 -20.301 0.485 -3.293 1.00 0.00 O ATOM 570 CB SER A 35 -23.409 1.622 -4.159 1.00 0.00 C ATOM 571 OG SER A 35 -24.370 1.545 -5.204 1.00 0.00 O ATOM 0 H SER A 35 -22.927 -0.591 -4.960 1.00 0.00 H new ATOM 0 HA SER A 35 -21.756 2.032 -5.517 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.651 0.906 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.428 2.613 -3.705 1.00 0.00 H new ATOM 0 HG SER A 35 -25.262 1.730 -4.843 1.00 0.00 H new ATOM 577 N ILE A 36 -20.782 2.625 -3.077 1.00 0.00 N ATOM 578 CA ILE A 36 -19.754 2.803 -2.000 1.00 0.00 C ATOM 579 C ILE A 36 -20.028 1.834 -0.843 1.00 0.00 C ATOM 580 O ILE A 36 -19.115 1.291 -0.250 1.00 0.00 O ATOM 581 CB ILE A 36 -19.892 4.259 -1.534 1.00 0.00 C ATOM 582 CG1 ILE A 36 -19.558 5.215 -2.693 1.00 0.00 C ATOM 583 CG2 ILE A 36 -18.935 4.520 -0.361 1.00 0.00 C ATOM 584 CD1 ILE A 36 -18.122 4.981 -3.182 1.00 0.00 C ATOM 0 H ILE A 36 -21.304 3.467 -3.321 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.746 2.594 -2.359 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.918 4.433 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -20.258 5.060 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -19.674 6.248 -2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.036 5.555 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.180 3.852 0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.909 4.339 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.901 5.665 -4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.425 5.159 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -18.019 3.953 -3.529 1.00 0.00 H new ATOM 596 N GLY A 37 -21.280 1.612 -0.523 1.00 0.00 N ATOM 597 CA GLY A 37 -21.620 0.677 0.591 1.00 0.00 C ATOM 598 C GLY A 37 -21.023 -0.700 0.296 1.00 0.00 C ATOM 599 O GLY A 37 -20.210 -1.207 1.042 1.00 0.00 O ATOM 0 H GLY A 37 -22.081 2.040 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.231 1.060 1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.702 0.601 0.700 1.00 0.00 H new ATOM 603 N ASP A 38 -21.407 -1.293 -0.804 1.00 0.00 N ATOM 604 CA ASP A 38 -20.854 -2.631 -1.171 1.00 0.00 C ATOM 605 C ASP A 38 -19.367 -2.507 -1.513 1.00 0.00 C ATOM 606 O ASP A 38 -18.570 -3.323 -1.113 1.00 0.00 O ATOM 607 CB ASP A 38 -21.655 -3.073 -2.399 1.00 0.00 C ATOM 608 CG ASP A 38 -23.108 -3.325 -1.995 1.00 0.00 C ATOM 609 OD1 ASP A 38 -23.338 -4.245 -1.226 1.00 0.00 O ATOM 610 OD2 ASP A 38 -23.968 -2.597 -2.461 1.00 0.00 O ATOM 0 H ASP A 38 -22.081 -0.908 -1.466 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.936 -3.350 -0.356 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -21.609 -2.306 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.222 -3.979 -2.823 1.00 0.00 H new ATOM 615 N THR A 39 -18.984 -1.475 -2.219 1.00 0.00 N ATOM 616 CA THR A 39 -17.537 -1.301 -2.567 1.00 0.00 C ATOM 617 C THR A 39 -16.692 -1.200 -1.291 1.00 0.00 C ATOM 618 O THR A 39 -15.521 -1.534 -1.288 1.00 0.00 O ATOM 619 CB THR A 39 -17.463 -0.005 -3.376 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.259 -0.136 -4.546 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.011 0.270 -3.779 1.00 0.00 C ATOM 0 H THR A 39 -19.606 -0.746 -2.570 1.00 0.00 H new ATOM 0 HA THR A 39 -17.148 -2.146 -3.135 1.00 0.00 H new ATOM 0 HB THR A 39 -17.832 0.822 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.202 0.002 -4.317 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.962 1.194 -4.355 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.397 0.368 -2.884 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.639 -0.556 -4.385 1.00 0.00 H new ATOM 629 N ALA A 40 -17.275 -0.742 -0.215 1.00 0.00 N ATOM 630 CA ALA A 40 -16.509 -0.616 1.059 1.00 0.00 C ATOM 631 C ALA A 40 -16.488 -1.955 1.805 1.00 0.00 C ATOM 632 O ALA A 40 -15.449 -2.412 2.244 1.00 0.00 O ATOM 633 CB ALA A 40 -17.261 0.437 1.873 1.00 0.00 C ATOM 0 H ALA A 40 -18.251 -0.449 -0.164 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.470 -0.334 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.757 0.587 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.281 1.377 1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.282 0.099 2.050 1.00 0.00 H new ATOM 639 N LYS A 41 -17.631 -2.574 1.966 1.00 0.00 N ATOM 640 CA LYS A 41 -17.684 -3.876 2.704 1.00 0.00 C ATOM 641 C LYS A 41 -17.283 -5.062 1.809 1.00 0.00 C ATOM 642 O LYS A 41 -17.049 -6.150 2.301 1.00 0.00 O ATOM 643 CB LYS A 41 -19.132 -4.016 3.197 1.00 0.00 C ATOM 644 CG LYS A 41 -20.097 -4.149 2.016 1.00 0.00 C ATOM 645 CD LYS A 41 -21.535 -3.948 2.506 1.00 0.00 C ATOM 646 CE LYS A 41 -21.750 -2.484 2.913 1.00 0.00 C ATOM 647 NZ LYS A 41 -22.462 -2.547 4.221 1.00 0.00 N ATOM 0 H LYS A 41 -18.529 -2.236 1.619 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.974 -3.884 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -19.218 -4.890 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -19.402 -3.147 3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.856 -3.411 1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.992 -5.132 1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.238 -4.223 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.734 -4.603 3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.801 -1.957 3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.340 -1.950 2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.644 -1.582 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -23.365 -3.048 4.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.874 -3.055 4.912 1.00 0.00 H new ATOM 661 N LYS A 42 -17.192 -4.872 0.511 1.00 0.00 N ATOM 662 CA LYS A 42 -16.793 -6.009 -0.382 1.00 0.00 C ATOM 663 C LYS A 42 -15.268 -6.126 -0.418 1.00 0.00 C ATOM 664 O LYS A 42 -14.705 -7.131 -0.029 1.00 0.00 O ATOM 665 CB LYS A 42 -17.349 -5.645 -1.763 1.00 0.00 C ATOM 666 CG LYS A 42 -17.251 -6.836 -2.709 1.00 0.00 C ATOM 667 CD LYS A 42 -18.321 -7.865 -2.329 1.00 0.00 C ATOM 668 CE LYS A 42 -17.672 -9.024 -1.568 1.00 0.00 C ATOM 669 NZ LYS A 42 -17.818 -10.211 -2.458 1.00 0.00 N ATOM 0 H LYS A 42 -17.375 -3.988 0.036 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.177 -6.969 -0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.389 -5.330 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.795 -4.801 -2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.391 -6.510 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.259 -7.284 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.088 -7.396 -1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.816 -8.238 -3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.623 -8.817 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.163 -9.189 -0.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.395 -11.043 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.827 -10.390 -2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.334 -10.030 -3.361 1.00 0.00 H new ATOM 683 N LEU A 43 -14.595 -5.102 -0.886 1.00 0.00 N ATOM 684 CA LEU A 43 -13.098 -5.139 -0.955 1.00 0.00 C ATOM 685 C LEU A 43 -12.489 -5.525 0.402 1.00 0.00 C ATOM 686 O LEU A 43 -11.385 -6.031 0.472 1.00 0.00 O ATOM 687 CB LEU A 43 -12.680 -3.717 -1.330 1.00 0.00 C ATOM 688 CG LEU A 43 -12.976 -3.476 -2.809 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.729 -2.004 -3.147 1.00 0.00 C ATOM 690 CD2 LEU A 43 -12.058 -4.358 -3.658 1.00 0.00 C ATOM 0 H LEU A 43 -15.019 -4.238 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.752 -5.880 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.219 -2.994 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.618 -3.574 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.016 -3.724 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.940 -1.833 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.382 -1.377 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.689 -1.753 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.266 -4.189 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.018 -4.108 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.235 -5.406 -3.417 1.00 0.00 H new ATOM 702 N GLY A 44 -13.203 -5.286 1.475 1.00 0.00 N ATOM 703 CA GLY A 44 -12.672 -5.633 2.826 1.00 0.00 C ATOM 704 C GLY A 44 -12.611 -7.154 2.982 1.00 0.00 C ATOM 705 O GLY A 44 -11.677 -7.691 3.547 1.00 0.00 O ATOM 0 H GLY A 44 -14.132 -4.865 1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.679 -5.204 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.310 -5.204 3.599 1.00 0.00 H new ATOM 709 N GLU A 45 -13.605 -7.852 2.488 1.00 0.00 N ATOM 710 CA GLU A 45 -13.618 -9.346 2.608 1.00 0.00 C ATOM 711 C GLU A 45 -12.351 -9.948 1.987 1.00 0.00 C ATOM 712 O GLU A 45 -11.840 -10.949 2.452 1.00 0.00 O ATOM 713 CB GLU A 45 -14.858 -9.802 1.838 1.00 0.00 C ATOM 714 CG GLU A 45 -15.098 -11.292 2.092 1.00 0.00 C ATOM 715 CD GLU A 45 -16.207 -11.797 1.168 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.291 -11.238 1.214 1.00 0.00 O ATOM 717 OE2 GLU A 45 -15.954 -12.733 0.428 1.00 0.00 O ATOM 0 H GLU A 45 -14.410 -7.452 2.006 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.643 -9.668 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.727 -9.224 2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.724 -9.621 0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.180 -11.854 1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.376 -11.454 3.133 1.00 0.00 H new ATOM 724 N MET A 46 -11.846 -9.342 0.942 1.00 0.00 N ATOM 725 CA MET A 46 -10.610 -9.874 0.288 1.00 0.00 C ATOM 726 C MET A 46 -9.378 -9.532 1.130 1.00 0.00 C ATOM 727 O MET A 46 -8.568 -10.387 1.432 1.00 0.00 O ATOM 728 CB MET A 46 -10.542 -9.173 -1.070 1.00 0.00 C ATOM 729 CG MET A 46 -11.673 -9.681 -1.966 1.00 0.00 C ATOM 730 SD MET A 46 -11.718 -8.707 -3.491 1.00 0.00 S ATOM 731 CE MET A 46 -11.870 -10.096 -4.642 1.00 0.00 C ATOM 0 H MET A 46 -12.235 -8.502 0.513 1.00 0.00 H new ATOM 0 HA MET A 46 -10.634 -10.959 0.184 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.625 -8.094 -0.938 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.578 -9.363 -1.541 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.521 -10.735 -2.199 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.627 -9.604 -1.444 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.915 -9.719 -5.664 1.00 0.00 H new ATOM 0 HE2 MET A 46 -11.007 -10.753 -4.536 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.780 -10.654 -4.421 1.00 0.00 H new ATOM 741 N TRP A 47 -9.224 -8.280 1.493 1.00 0.00 N ATOM 742 CA TRP A 47 -8.034 -7.854 2.306 1.00 0.00 C ATOM 743 C TRP A 47 -7.801 -8.791 3.502 1.00 0.00 C ATOM 744 O TRP A 47 -6.675 -9.103 3.838 1.00 0.00 O ATOM 745 CB TRP A 47 -8.365 -6.445 2.799 1.00 0.00 C ATOM 746 CG TRP A 47 -7.159 -5.856 3.456 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.070 -5.527 4.765 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.870 -5.525 2.862 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.809 -5.013 5.012 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.032 -4.993 3.870 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.351 -5.635 1.559 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.726 -4.583 3.596 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.038 -5.224 1.279 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.227 -4.698 2.296 1.00 0.00 C ATOM 0 H TRP A 47 -9.874 -7.529 1.261 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.122 -7.884 1.710 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.680 -5.820 1.964 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.197 -6.479 3.503 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.855 -5.646 5.498 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.492 -4.689 5.926 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.967 -6.038 0.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.106 -4.180 4.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.650 -5.313 0.275 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.218 -4.382 2.074 1.00 0.00 H new ATOM 765 N SER A 48 -8.852 -9.238 4.144 1.00 0.00 N ATOM 766 CA SER A 48 -8.683 -10.153 5.314 1.00 0.00 C ATOM 767 C SER A 48 -8.474 -11.595 4.837 1.00 0.00 C ATOM 768 O SER A 48 -7.854 -12.395 5.513 1.00 0.00 O ATOM 769 CB SER A 48 -9.986 -10.034 6.103 1.00 0.00 C ATOM 770 OG SER A 48 -9.837 -10.687 7.357 1.00 0.00 O ATOM 0 H SER A 48 -9.818 -9.009 3.909 1.00 0.00 H new ATOM 0 HA SER A 48 -7.815 -9.891 5.918 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.238 -8.984 6.254 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.806 -10.482 5.542 1.00 0.00 H new ATOM 0 HG SER A 48 -10.671 -10.611 7.866 1.00 0.00 H new ATOM 776 N GLU A 49 -8.988 -11.929 3.679 1.00 0.00 N ATOM 777 CA GLU A 49 -8.822 -13.321 3.154 1.00 0.00 C ATOM 778 C GLU A 49 -7.342 -13.622 2.905 1.00 0.00 C ATOM 779 O GLU A 49 -6.858 -14.694 3.213 1.00 0.00 O ATOM 780 CB GLU A 49 -9.605 -13.354 1.839 1.00 0.00 C ATOM 781 CG GLU A 49 -11.030 -13.839 2.104 1.00 0.00 C ATOM 782 CD GLU A 49 -11.803 -13.905 0.786 1.00 0.00 C ATOM 783 OE1 GLU A 49 -12.015 -12.860 0.193 1.00 0.00 O ATOM 784 OE2 GLU A 49 -12.169 -15.000 0.390 1.00 0.00 O ATOM 0 H GLU A 49 -9.515 -11.299 3.075 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.184 -14.069 3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.625 -12.361 1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.112 -14.015 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.009 -14.822 2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.531 -13.164 2.798 1.00 0.00 H new ATOM 791 N GLN A 50 -6.621 -12.679 2.351 1.00 0.00 N ATOM 792 CA GLN A 50 -5.164 -12.904 2.082 1.00 0.00 C ATOM 793 C GLN A 50 -4.404 -13.041 3.404 1.00 0.00 C ATOM 794 O GLN A 50 -4.937 -12.777 4.465 1.00 0.00 O ATOM 795 CB GLN A 50 -4.691 -11.662 1.314 1.00 0.00 C ATOM 796 CG GLN A 50 -4.965 -10.395 2.140 1.00 0.00 C ATOM 797 CD GLN A 50 -3.717 -9.508 2.165 1.00 0.00 C ATOM 798 OE1 GLN A 50 -3.724 -8.415 1.635 1.00 0.00 O ATOM 799 NE2 GLN A 50 -2.641 -9.936 2.764 1.00 0.00 N ATOM 0 H GLN A 50 -6.976 -11.764 2.073 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.988 -13.817 1.513 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.625 -11.742 1.099 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.206 -11.599 0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.803 -9.846 1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.248 -10.668 3.157 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.636 -10.854 3.209 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.804 -9.353 2.788 1.00 0.00 H new ATOM 808 N SER A 51 -3.162 -13.453 3.346 1.00 0.00 N ATOM 809 CA SER A 51 -2.362 -13.609 4.598 1.00 0.00 C ATOM 810 C SER A 51 -0.865 -13.498 4.296 1.00 0.00 C ATOM 811 O SER A 51 -0.269 -14.393 3.728 1.00 0.00 O ATOM 812 CB SER A 51 -2.703 -15.007 5.113 1.00 0.00 C ATOM 813 OG SER A 51 -4.104 -15.098 5.332 1.00 0.00 O ATOM 0 H SER A 51 -2.668 -13.688 2.485 1.00 0.00 H new ATOM 0 HA SER A 51 -2.592 -12.835 5.330 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.386 -15.760 4.391 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.165 -15.207 6.039 1.00 0.00 H new ATOM 0 HG SER A 51 -4.481 -14.197 5.414 1.00 0.00 H new ATOM 819 N ALA A 52 -0.253 -12.402 4.678 1.00 0.00 N ATOM 820 CA ALA A 52 1.214 -12.210 4.427 1.00 0.00 C ATOM 821 C ALA A 52 1.554 -12.456 2.951 1.00 0.00 C ATOM 822 O ALA A 52 2.550 -13.079 2.633 1.00 0.00 O ATOM 823 CB ALA A 52 1.914 -13.239 5.317 1.00 0.00 C ATOM 0 H ALA A 52 -0.709 -11.626 5.157 1.00 0.00 H new ATOM 0 HA ALA A 52 1.530 -11.192 4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.993 -13.158 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.659 -13.051 6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.589 -14.242 5.039 1.00 0.00 H new ATOM 829 N LYS A 53 0.734 -11.972 2.054 1.00 0.00 N ATOM 830 CA LYS A 53 1.003 -12.176 0.599 1.00 0.00 C ATOM 831 C LYS A 53 0.686 -10.898 -0.186 1.00 0.00 C ATOM 832 O LYS A 53 1.576 -10.176 -0.593 1.00 0.00 O ATOM 833 CB LYS A 53 0.073 -13.316 0.181 1.00 0.00 C ATOM 834 CG LYS A 53 0.724 -14.659 0.520 1.00 0.00 C ATOM 835 CD LYS A 53 -0.359 -15.733 0.646 1.00 0.00 C ATOM 836 CE LYS A 53 0.225 -17.095 0.263 1.00 0.00 C ATOM 837 NZ LYS A 53 -0.001 -17.209 -1.205 1.00 0.00 N ATOM 0 H LYS A 53 -0.112 -11.443 2.267 1.00 0.00 H new ATOM 0 HA LYS A 53 2.048 -12.412 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.884 -13.225 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.131 -13.259 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.437 -14.936 -0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.283 -14.579 1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.739 -15.763 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.202 -15.492 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.286 -17.152 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.269 -17.903 0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.373 -18.118 -1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.020 -17.158 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.487 -16.431 -1.693 1.00 0.00 H new ATOM 851 N ASP A 54 -0.575 -10.623 -0.410 1.00 0.00 N ATOM 852 CA ASP A 54 -0.955 -9.397 -1.180 1.00 0.00 C ATOM 853 C ASP A 54 -0.489 -8.134 -0.451 1.00 0.00 C ATOM 854 O ASP A 54 -0.269 -7.105 -1.064 1.00 0.00 O ATOM 855 CB ASP A 54 -2.482 -9.431 -1.264 1.00 0.00 C ATOM 856 CG ASP A 54 -2.961 -8.399 -2.287 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.975 -7.226 -1.954 1.00 0.00 O ATOM 858 OD2 ASP A 54 -3.307 -8.800 -3.387 1.00 0.00 O ATOM 0 H ASP A 54 -1.358 -11.194 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.491 -9.380 -2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.819 -10.427 -1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.915 -9.218 -0.287 1.00 0.00 H new ATOM 863 N LYS A 55 -0.343 -8.199 0.848 1.00 0.00 N ATOM 864 CA LYS A 55 0.102 -6.996 1.616 1.00 0.00 C ATOM 865 C LYS A 55 1.626 -6.861 1.570 1.00 0.00 C ATOM 866 O LYS A 55 2.150 -5.768 1.572 1.00 0.00 O ATOM 867 CB LYS A 55 -0.368 -7.237 3.052 1.00 0.00 C ATOM 868 CG LYS A 55 -0.019 -6.024 3.918 1.00 0.00 C ATOM 869 CD LYS A 55 -0.863 -6.045 5.196 1.00 0.00 C ATOM 870 CE LYS A 55 -0.062 -6.689 6.330 1.00 0.00 C ATOM 871 NZ LYS A 55 -0.404 -8.137 6.270 1.00 0.00 N ATOM 0 H LYS A 55 -0.513 -9.033 1.410 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.309 -6.076 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.444 -7.411 3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.106 -8.132 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.041 -6.038 4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.203 -5.104 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.150 -5.030 5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.784 -6.602 5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.008 -6.530 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.330 -6.260 7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.985 -8.391 7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.936 -8.332 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.470 -8.701 6.275 1.00 0.00 H new ATOM 885 N GLN A 56 2.339 -7.965 1.544 1.00 0.00 N ATOM 886 CA GLN A 56 3.844 -7.917 1.517 1.00 0.00 C ATOM 887 C GLN A 56 4.369 -6.866 0.515 1.00 0.00 C ATOM 888 O GLN A 56 5.171 -6.031 0.878 1.00 0.00 O ATOM 889 CB GLN A 56 4.276 -9.323 1.092 1.00 0.00 C ATOM 890 CG GLN A 56 4.691 -10.132 2.324 1.00 0.00 C ATOM 891 CD GLN A 56 6.147 -9.821 2.672 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.042 -10.097 1.898 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.425 -9.255 3.815 1.00 0.00 N ATOM 0 H GLN A 56 1.942 -8.905 1.540 1.00 0.00 H new ATOM 0 HA GLN A 56 4.247 -7.629 2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.458 -9.824 0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.107 -9.261 0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.044 -9.888 3.167 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.572 -11.198 2.129 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.674 -9.023 4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.393 -9.045 4.058 1.00 0.00 H new ATOM 902 N PRO A 57 3.902 -6.932 -0.713 1.00 0.00 N ATOM 903 CA PRO A 57 4.349 -5.954 -1.733 1.00 0.00 C ATOM 904 C PRO A 57 3.599 -4.623 -1.578 1.00 0.00 C ATOM 905 O PRO A 57 4.156 -3.561 -1.786 1.00 0.00 O ATOM 906 CB PRO A 57 3.975 -6.614 -3.052 1.00 0.00 C ATOM 907 CG PRO A 57 2.835 -7.524 -2.724 1.00 0.00 C ATOM 908 CD PRO A 57 2.946 -7.901 -1.269 1.00 0.00 C ATOM 0 HA PRO A 57 5.411 -5.721 -1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.685 -5.872 -3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.816 -7.170 -3.467 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.884 -7.029 -2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.865 -8.414 -3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.980 -7.839 -0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.302 -8.924 -1.150 1.00 0.00 H new ATOM 916 N TYR A 58 2.333 -4.680 -1.245 1.00 0.00 N ATOM 917 CA TYR A 58 1.527 -3.426 -1.109 1.00 0.00 C ATOM 918 C TYR A 58 1.681 -2.789 0.283 1.00 0.00 C ATOM 919 O TYR A 58 0.980 -1.850 0.609 1.00 0.00 O ATOM 920 CB TYR A 58 0.072 -3.868 -1.341 1.00 0.00 C ATOM 921 CG TYR A 58 -0.517 -3.109 -2.507 1.00 0.00 C ATOM 922 CD1 TYR A 58 -0.372 -3.605 -3.809 1.00 0.00 C ATOM 923 CD2 TYR A 58 -1.207 -1.911 -2.288 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.917 -2.902 -4.891 1.00 0.00 C ATOM 925 CE2 TYR A 58 -1.751 -1.207 -3.370 1.00 0.00 C ATOM 926 CZ TYR A 58 -1.606 -1.704 -4.672 1.00 0.00 C ATOM 927 OH TYR A 58 -2.143 -1.011 -5.737 1.00 0.00 O ATOM 0 H TYR A 58 1.821 -5.543 -1.061 1.00 0.00 H new ATOM 0 HA TYR A 58 1.856 -2.666 -1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.035 -4.939 -1.538 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.519 -3.688 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.160 -4.529 -3.979 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.320 -1.529 -1.284 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.805 -3.285 -5.895 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.282 -0.282 -3.201 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.389 -1.641 -6.446 1.00 0.00 H new ATOM 937 N GLU A 59 2.587 -3.271 1.101 1.00 0.00 N ATOM 938 CA GLU A 59 2.765 -2.662 2.458 1.00 0.00 C ATOM 939 C GLU A 59 4.026 -1.788 2.485 1.00 0.00 C ATOM 940 O GLU A 59 4.137 -0.874 3.280 1.00 0.00 O ATOM 941 CB GLU A 59 2.884 -3.844 3.434 1.00 0.00 C ATOM 942 CG GLU A 59 4.134 -4.681 3.117 1.00 0.00 C ATOM 943 CD GLU A 59 5.159 -4.531 4.243 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.697 -3.445 4.388 1.00 0.00 O ATOM 945 OE2 GLU A 59 5.390 -5.505 4.942 1.00 0.00 O ATOM 0 H GLU A 59 3.206 -4.054 0.890 1.00 0.00 H new ATOM 0 HA GLU A 59 1.931 -2.015 2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.937 -3.474 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.994 -4.469 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.860 -5.730 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.569 -4.357 2.171 1.00 0.00 H new ATOM 952 N GLN A 60 4.970 -2.058 1.615 1.00 0.00 N ATOM 953 CA GLN A 60 6.220 -1.240 1.582 1.00 0.00 C ATOM 954 C GLN A 60 5.940 0.128 0.942 1.00 0.00 C ATOM 955 O GLN A 60 6.614 1.102 1.219 1.00 0.00 O ATOM 956 CB GLN A 60 7.217 -2.055 0.741 1.00 0.00 C ATOM 957 CG GLN A 60 6.727 -2.180 -0.710 1.00 0.00 C ATOM 958 CD GLN A 60 7.330 -3.433 -1.348 1.00 0.00 C ATOM 959 OE1 GLN A 60 8.361 -3.913 -0.920 1.00 0.00 O ATOM 960 NE2 GLN A 60 6.726 -3.987 -2.363 1.00 0.00 N ATOM 0 H GLN A 60 4.927 -2.810 0.927 1.00 0.00 H new ATOM 0 HA GLN A 60 6.613 -1.042 2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.195 -1.574 0.760 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.341 -3.047 1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.639 -2.235 -0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.014 -1.296 -1.279 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.861 -3.585 -2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.119 -4.822 -2.797 1.00 0.00 H new ATOM 969 N LYS A 61 4.949 0.200 0.088 1.00 0.00 N ATOM 970 CA LYS A 61 4.612 1.498 -0.581 1.00 0.00 C ATOM 971 C LYS A 61 4.314 2.579 0.464 1.00 0.00 C ATOM 972 O LYS A 61 4.758 3.705 0.344 1.00 0.00 O ATOM 973 CB LYS A 61 3.366 1.200 -1.423 1.00 0.00 C ATOM 974 CG LYS A 61 2.928 2.463 -2.171 1.00 0.00 C ATOM 975 CD LYS A 61 2.033 2.074 -3.349 1.00 0.00 C ATOM 976 CE LYS A 61 1.728 3.316 -4.189 1.00 0.00 C ATOM 977 NZ LYS A 61 0.418 3.030 -4.837 1.00 0.00 N ATOM 0 H LYS A 61 4.356 -0.587 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 61 5.435 1.872 -1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.579 0.401 -2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.558 0.848 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.390 3.130 -1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.802 3.008 -2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.527 1.320 -3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.106 1.631 -2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.674 4.210 -3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.506 3.491 -4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.141 3.837 -5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.502 2.178 -5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.305 2.875 -4.105 1.00 0.00 H new ATOM 991 N ALA A 62 3.568 2.244 1.487 1.00 0.00 N ATOM 992 CA ALA A 62 3.244 3.252 2.543 1.00 0.00 C ATOM 993 C ALA A 62 4.468 3.526 3.428 1.00 0.00 C ATOM 994 O ALA A 62 4.476 4.465 4.203 1.00 0.00 O ATOM 995 CB ALA A 62 2.116 2.628 3.364 1.00 0.00 C ATOM 0 H ALA A 62 3.170 1.317 1.637 1.00 0.00 H new ATOM 0 HA ALA A 62 2.952 4.209 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.824 3.312 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.259 2.436 2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.459 1.690 3.799 1.00 0.00 H new ATOM 1001 N ALA A 63 5.506 2.728 3.313 1.00 0.00 N ATOM 1002 CA ALA A 63 6.728 2.964 4.139 1.00 0.00 C ATOM 1003 C ALA A 63 7.623 4.030 3.485 1.00 0.00 C ATOM 1004 O ALA A 63 8.636 4.416 4.037 1.00 0.00 O ATOM 1005 CB ALA A 63 7.445 1.614 4.178 1.00 0.00 C ATOM 0 H ALA A 63 5.556 1.927 2.684 1.00 0.00 H new ATOM 0 HA ALA A 63 6.484 3.328 5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.357 1.703 4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.792 0.868 4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.698 1.307 3.163 1.00 0.00 H new ATOM 1011 N LYS A 64 7.256 4.512 2.317 1.00 0.00 N ATOM 1012 CA LYS A 64 8.078 5.553 1.636 1.00 0.00 C ATOM 1013 C LYS A 64 7.490 6.935 1.914 1.00 0.00 C ATOM 1014 O LYS A 64 8.201 7.916 2.021 1.00 0.00 O ATOM 1015 CB LYS A 64 7.971 5.222 0.149 1.00 0.00 C ATOM 1016 CG LYS A 64 8.867 4.027 -0.177 1.00 0.00 C ATOM 1017 CD LYS A 64 10.333 4.416 0.019 1.00 0.00 C ATOM 1018 CE LYS A 64 11.233 3.381 -0.660 1.00 0.00 C ATOM 1019 NZ LYS A 64 12.623 3.832 -0.370 1.00 0.00 N ATOM 0 H LYS A 64 6.419 4.224 1.810 1.00 0.00 H new ATOM 0 HA LYS A 64 9.112 5.563 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.937 4.995 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.267 6.085 -0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.615 3.184 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.700 3.704 -1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.517 5.405 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.566 4.474 1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.052 2.381 -0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.047 3.339 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.300 3.172 -0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.768 4.784 -0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.773 3.855 0.659 1.00 0.00 H new ATOM 1033 N LEU A 65 6.192 7.008 2.038 1.00 0.00 N ATOM 1034 CA LEU A 65 5.530 8.316 2.320 1.00 0.00 C ATOM 1035 C LEU A 65 5.538 8.623 3.826 1.00 0.00 C ATOM 1036 O LEU A 65 4.966 9.604 4.262 1.00 0.00 O ATOM 1037 CB LEU A 65 4.096 8.144 1.822 1.00 0.00 C ATOM 1038 CG LEU A 65 4.044 8.447 0.326 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.493 7.214 -0.460 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.611 8.807 -0.068 1.00 0.00 C ATOM 0 H LEU A 65 5.558 6.214 1.956 1.00 0.00 H new ATOM 0 HA LEU A 65 6.044 9.144 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.752 7.127 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.427 8.813 2.364 1.00 0.00 H new ATOM 0 HG LEU A 65 4.706 9.283 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.456 7.430 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.513 6.954 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.830 6.378 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.571 9.024 -1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.950 7.970 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.289 9.684 0.493 1.00 0.00 H new ATOM 1052 N LYS A 66 6.188 7.803 4.619 1.00 0.00 N ATOM 1053 CA LYS A 66 6.239 8.060 6.086 1.00 0.00 C ATOM 1054 C LYS A 66 7.566 8.731 6.436 1.00 0.00 C ATOM 1055 O LYS A 66 7.644 9.542 7.340 1.00 0.00 O ATOM 1056 CB LYS A 66 6.147 6.679 6.737 1.00 0.00 C ATOM 1057 CG LYS A 66 6.127 6.831 8.262 1.00 0.00 C ATOM 1058 CD LYS A 66 5.137 5.832 8.866 1.00 0.00 C ATOM 1059 CE LYS A 66 5.216 5.893 10.393 1.00 0.00 C ATOM 1060 NZ LYS A 66 4.282 4.834 10.867 1.00 0.00 N ATOM 0 H LYS A 66 6.684 6.968 4.309 1.00 0.00 H new ATOM 0 HA LYS A 66 5.439 8.717 6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.246 6.166 6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.995 6.065 6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.124 6.660 8.667 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.843 7.848 8.532 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.124 6.062 8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.365 4.824 8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.232 5.710 10.744 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.922 6.875 10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.280 4.813 11.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.322 5.038 10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.591 3.910 10.503 1.00 0.00 H new ATOM 1074 N GLU A 67 8.607 8.396 5.718 1.00 0.00 N ATOM 1075 CA GLU A 67 9.940 9.010 5.994 1.00 0.00 C ATOM 1076 C GLU A 67 9.885 10.517 5.746 1.00 0.00 C ATOM 1077 O GLU A 67 10.347 11.300 6.554 1.00 0.00 O ATOM 1078 CB GLU A 67 10.908 8.339 5.017 1.00 0.00 C ATOM 1079 CG GLU A 67 11.552 7.124 5.686 1.00 0.00 C ATOM 1080 CD GLU A 67 12.267 6.278 4.631 1.00 0.00 C ATOM 1081 OE1 GLU A 67 13.427 6.547 4.372 1.00 0.00 O ATOM 1082 OE2 GLU A 67 11.639 5.376 4.100 1.00 0.00 O ATOM 0 H GLU A 67 8.591 7.723 4.952 1.00 0.00 H new ATOM 0 HA GLU A 67 10.251 8.867 7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.377 8.032 4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.677 9.047 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.260 7.448 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.792 6.528 6.191 1.00 0.00 H new ATOM 1089 N LYS A 68 9.319 10.931 4.638 1.00 0.00 N ATOM 1090 CA LYS A 68 9.234 12.394 4.347 1.00 0.00 C ATOM 1091 C LYS A 68 8.214 13.045 5.283 1.00 0.00 C ATOM 1092 O LYS A 68 8.557 13.891 6.080 1.00 0.00 O ATOM 1093 CB LYS A 68 8.780 12.495 2.888 1.00 0.00 C ATOM 1094 CG LYS A 68 9.225 13.840 2.308 1.00 0.00 C ATOM 1095 CD LYS A 68 10.686 13.746 1.866 1.00 0.00 C ATOM 1096 CE LYS A 68 11.022 14.932 0.959 1.00 0.00 C ATOM 1097 NZ LYS A 68 12.254 14.520 0.229 1.00 0.00 N ATOM 0 H LYS A 68 8.915 10.322 3.927 1.00 0.00 H new ATOM 0 HA LYS A 68 10.184 12.905 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.205 11.677 2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.696 12.401 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.594 14.109 1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.109 14.626 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.341 13.744 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.857 12.809 1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.206 15.145 0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.192 15.838 1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.548 15.283 -0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.015 14.331 0.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.060 13.659 -0.321 1.00 0.00 H new ATOM 1111 N TYR A 69 6.960 12.659 5.169 1.00 0.00 N ATOM 1112 CA TYR A 69 5.860 13.238 6.024 1.00 0.00 C ATOM 1113 C TYR A 69 6.319 13.547 7.461 1.00 0.00 C ATOM 1114 O TYR A 69 6.082 14.622 7.972 1.00 0.00 O ATOM 1115 CB TYR A 69 4.783 12.147 6.040 1.00 0.00 C ATOM 1116 CG TYR A 69 3.556 12.637 6.778 1.00 0.00 C ATOM 1117 CD1 TYR A 69 3.553 12.689 8.177 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.420 13.033 6.061 1.00 0.00 C ATOM 1119 CE1 TYR A 69 2.414 13.139 8.859 1.00 0.00 C ATOM 1120 CE2 TYR A 69 1.283 13.483 6.743 1.00 0.00 C ATOM 1121 CZ TYR A 69 1.280 13.536 8.141 1.00 0.00 C ATOM 1122 OH TYR A 69 0.159 13.979 8.813 1.00 0.00 O ATOM 0 H TYR A 69 6.644 11.952 4.505 1.00 0.00 H new ATOM 0 HA TYR A 69 5.514 14.191 5.623 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.517 11.873 5.019 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.171 11.249 6.521 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.428 12.382 8.731 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.421 12.991 4.982 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.411 13.179 9.938 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.408 13.789 6.189 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.538 14.217 8.166 1.00 0.00 H new ATOM 1132 N GLU A 70 6.960 12.610 8.109 1.00 0.00 N ATOM 1133 CA GLU A 70 7.417 12.845 9.516 1.00 0.00 C ATOM 1134 C GLU A 70 8.516 13.915 9.576 1.00 0.00 C ATOM 1135 O GLU A 70 8.629 14.638 10.549 1.00 0.00 O ATOM 1136 CB GLU A 70 7.965 11.497 9.989 1.00 0.00 C ATOM 1137 CG GLU A 70 6.801 10.564 10.331 1.00 0.00 C ATOM 1138 CD GLU A 70 7.332 9.335 11.072 1.00 0.00 C ATOM 1139 OE1 GLU A 70 8.019 9.516 12.063 1.00 0.00 O ATOM 1140 OE2 GLU A 70 7.042 8.233 10.635 1.00 0.00 O ATOM 0 H GLU A 70 7.188 11.692 7.727 1.00 0.00 H new ATOM 0 HA GLU A 70 6.602 13.206 10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.585 11.052 9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.601 11.638 10.863 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.071 11.087 10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.286 10.258 9.420 1.00 0.00 H new ATOM 1147 N LYS A 71 9.337 14.007 8.561 1.00 0.00 N ATOM 1148 CA LYS A 71 10.445 15.015 8.577 1.00 0.00 C ATOM 1149 C LYS A 71 10.049 16.305 7.847 1.00 0.00 C ATOM 1150 O LYS A 71 10.613 17.356 8.091 1.00 0.00 O ATOM 1151 CB LYS A 71 11.602 14.329 7.851 1.00 0.00 C ATOM 1152 CG LYS A 71 12.932 14.844 8.406 1.00 0.00 C ATOM 1153 CD LYS A 71 14.065 14.466 7.450 1.00 0.00 C ATOM 1154 CE LYS A 71 14.230 12.945 7.428 1.00 0.00 C ATOM 1155 NZ LYS A 71 15.137 12.672 6.278 1.00 0.00 N ATOM 0 H LYS A 71 9.290 13.429 7.722 1.00 0.00 H new ATOM 0 HA LYS A 71 10.700 15.312 9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.536 13.249 7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.542 14.527 6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.892 15.926 8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.116 14.417 9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.846 14.833 6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.995 14.939 7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.657 12.581 8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.270 12.446 7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.298 11.648 6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.702 13.023 5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.046 13.154 6.430 1.00 0.00 H new ATOM 1169 N ASP A 72 9.106 16.234 6.944 1.00 0.00 N ATOM 1170 CA ASP A 72 8.697 17.455 6.183 1.00 0.00 C ATOM 1171 C ASP A 72 7.531 18.176 6.870 1.00 0.00 C ATOM 1172 O ASP A 72 7.347 19.364 6.689 1.00 0.00 O ATOM 1173 CB ASP A 72 8.266 16.935 4.812 1.00 0.00 C ATOM 1174 CG ASP A 72 8.161 18.104 3.832 1.00 0.00 C ATOM 1175 OD1 ASP A 72 7.094 18.692 3.752 1.00 0.00 O ATOM 1176 OD2 ASP A 72 9.148 18.392 3.177 1.00 0.00 O ATOM 0 H ASP A 72 8.600 15.383 6.699 1.00 0.00 H new ATOM 0 HA ASP A 72 9.509 18.180 6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.986 16.204 4.446 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.306 16.425 4.890 1.00 0.00 H new ATOM 1181 N ILE A 73 6.743 17.473 7.645 1.00 0.00 N ATOM 1182 CA ILE A 73 5.587 18.132 8.327 1.00 0.00 C ATOM 1183 C ILE A 73 6.059 18.947 9.546 1.00 0.00 C ATOM 1184 O ILE A 73 5.367 19.834 10.009 1.00 0.00 O ATOM 1185 CB ILE A 73 4.643 16.979 8.725 1.00 0.00 C ATOM 1186 CG1 ILE A 73 3.252 17.549 9.011 1.00 0.00 C ATOM 1187 CG2 ILE A 73 5.158 16.237 9.968 1.00 0.00 C ATOM 1188 CD1 ILE A 73 2.503 17.745 7.691 1.00 0.00 C ATOM 0 H ILE A 73 6.849 16.476 7.834 1.00 0.00 H new ATOM 0 HA ILE A 73 5.079 18.849 7.682 1.00 0.00 H new ATOM 0 HB ILE A 73 4.600 16.267 7.901 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.696 16.873 9.661 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.337 18.499 9.538 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.470 15.431 10.222 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.144 15.821 9.761 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.226 16.932 10.805 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.512 18.151 7.892 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.057 18.438 7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.406 16.786 7.182 1.00 0.00 H new ATOM 1200 N ALA A 74 7.230 18.654 10.061 1.00 0.00 N ATOM 1201 CA ALA A 74 7.742 19.415 11.241 1.00 0.00 C ATOM 1202 C ALA A 74 7.995 20.872 10.850 1.00 0.00 C ATOM 1203 O ALA A 74 7.807 21.779 11.638 1.00 0.00 O ATOM 1204 CB ALA A 74 9.053 18.728 11.630 1.00 0.00 C ATOM 0 H ALA A 74 7.851 17.922 9.715 1.00 0.00 H new ATOM 0 HA ALA A 74 7.032 19.421 12.068 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.487 19.234 12.492 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.857 17.686 11.882 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.750 18.774 10.793 1.00 0.00 H new ATOM 1210 N ALA A 75 8.414 21.097 9.632 1.00 0.00 N ATOM 1211 CA ALA A 75 8.680 22.491 9.166 1.00 0.00 C ATOM 1212 C ALA A 75 7.532 22.993 8.277 1.00 0.00 C ATOM 1213 O ALA A 75 7.424 24.175 8.008 1.00 0.00 O ATOM 1214 CB ALA A 75 9.976 22.397 8.363 1.00 0.00 C ATOM 0 H ALA A 75 8.584 20.371 8.936 1.00 0.00 H new ATOM 0 HA ALA A 75 8.761 23.192 9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.242 23.384 7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.776 22.027 9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.837 21.712 7.526 1.00 0.00 H new ATOM 1220 N TYR A 76 6.676 22.108 7.818 1.00 0.00 N ATOM 1221 CA TYR A 76 5.539 22.542 6.947 1.00 0.00 C ATOM 1222 C TYR A 76 4.597 23.463 7.728 1.00 0.00 C ATOM 1223 O TYR A 76 4.035 24.393 7.181 1.00 0.00 O ATOM 1224 CB TYR A 76 4.818 21.252 6.549 1.00 0.00 C ATOM 1225 CG TYR A 76 3.763 21.563 5.515 1.00 0.00 C ATOM 1226 CD1 TYR A 76 4.132 21.761 4.178 1.00 0.00 C ATOM 1227 CD2 TYR A 76 2.418 21.654 5.891 1.00 0.00 C ATOM 1228 CE1 TYR A 76 3.154 22.051 3.219 1.00 0.00 C ATOM 1229 CE2 TYR A 76 1.441 21.944 4.932 1.00 0.00 C ATOM 1230 CZ TYR A 76 1.809 22.142 3.595 1.00 0.00 C ATOM 1231 OH TYR A 76 0.845 22.426 2.649 1.00 0.00 O ATOM 0 H TYR A 76 6.717 21.107 8.009 1.00 0.00 H new ATOM 0 HA TYR A 76 5.881 23.099 6.075 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.532 20.532 6.150 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.360 20.794 7.425 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.170 21.690 3.887 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.134 21.500 6.922 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.438 22.205 2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.403 22.015 5.223 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.036 22.452 3.077 1.00 0.00 H new ATOM 1241 N ARG A 77 4.424 23.210 9.001 1.00 0.00 N ATOM 1242 CA ARG A 77 3.518 24.068 9.822 1.00 0.00 C ATOM 1243 C ARG A 77 4.329 25.035 10.698 1.00 0.00 C ATOM 1244 O ARG A 77 3.822 25.584 11.657 1.00 0.00 O ATOM 1245 CB ARG A 77 2.734 23.088 10.695 1.00 0.00 C ATOM 1246 CG ARG A 77 1.782 22.272 9.818 1.00 0.00 C ATOM 1247 CD ARG A 77 1.076 21.218 10.675 1.00 0.00 C ATOM 1248 NE ARG A 77 -0.174 20.896 9.934 1.00 0.00 N ATOM 1249 CZ ARG A 77 -0.718 19.716 10.053 1.00 0.00 C ATOM 1250 NH1 ARG A 77 -1.336 19.389 11.155 1.00 0.00 N ATOM 1251 NH2 ARG A 77 -0.642 18.861 9.070 1.00 0.00 N ATOM 0 H ARG A 77 4.872 22.446 9.507 1.00 0.00 H new ATOM 0 HA ARG A 77 2.866 24.683 9.201 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.420 22.424 11.221 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.171 23.631 11.454 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.047 22.928 9.351 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.336 21.790 9.012 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.698 20.332 10.804 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.857 21.601 11.672 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.606 21.598 9.333 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.394 20.056 11.924 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.761 18.466 11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.157 19.115 8.209 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.067 17.938 9.163 1.00 0.00 H new ATOM 1265 N ALA A 78 5.588 25.249 10.377 1.00 0.00 N ATOM 1266 CA ALA A 78 6.440 26.182 11.188 1.00 0.00 C ATOM 1267 C ALA A 78 6.386 25.817 12.678 1.00 0.00 C ATOM 1268 O ALA A 78 5.678 26.435 13.450 1.00 0.00 O ATOM 1269 CB ALA A 78 5.850 27.576 10.957 1.00 0.00 C ATOM 0 H ALA A 78 6.062 24.815 9.585 1.00 0.00 H new ATOM 0 HA ALA A 78 7.487 26.128 10.892 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.424 28.312 11.521 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.893 27.818 9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.812 27.592 11.291 1.00 0.00 H new ATOM 1275 N LYS A 79 7.131 24.819 13.080 1.00 0.00 N ATOM 1276 CA LYS A 79 7.131 24.408 14.517 1.00 0.00 C ATOM 1277 C LYS A 79 8.309 25.052 15.251 1.00 0.00 C ATOM 1278 O LYS A 79 8.076 25.668 16.279 1.00 0.00 O ATOM 1279 CB LYS A 79 7.281 22.886 14.494 1.00 0.00 C ATOM 1280 CG LYS A 79 6.491 22.280 15.657 1.00 0.00 C ATOM 1281 CD LYS A 79 5.106 21.853 15.167 1.00 0.00 C ATOM 1282 CE LYS A 79 4.150 23.047 15.235 1.00 0.00 C ATOM 1283 NZ LYS A 79 2.789 22.447 15.312 1.00 0.00 N ATOM 1284 OXT LYS A 79 9.424 24.920 14.774 1.00 0.00 O ATOM 0 H LYS A 79 7.741 24.270 12.474 1.00 0.00 H new ATOM 0 HA LYS A 79 6.225 24.720 15.036 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.918 22.488 13.547 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.333 22.612 14.572 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.025 21.421 16.065 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.395 23.007 16.463 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.169 21.482 14.144 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.728 21.035 15.780 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.357 23.669 16.106 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.251 23.684 14.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.078 23.204 15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.618 21.866 14.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.720 21.851 16.162 1.00 0.00 H new TER 1298 LYS A 79