USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 772 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 THR OG1 : rot -90:sc= 1.11 USER MOD Set 1.2: A 81 ASN : amide:sc= -7.83! C(o=-6.7!,f=-1.3!) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -11.8! C(o=-13!,f=-25!) USER MOD Set 2.2: A 51 TYR OH : rot -15:sc= -0.951! USER MOD Single : A 1 SER N :NH3+ -130:sc= 0.652 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.209 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 90:sc= -5.17! USER MOD Single : A 7 SER OG : rot 180:sc= -0.328 USER MOD Single : A 8 HIS : no HD1:sc= -13.8! C(o=-14!,f=-14!) USER MOD Single : A 11 THR OG1 : rot -114:sc= 0.118 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 22 SER OG : rot 180:sc= -2.98! USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.69! K(o=-1.7!,f=-0.02) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -13.1! C(o=-13!,f=-22!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -119:sc= -4.31! USER MOD Single : A 53 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.85) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.31) USER MOD Single : A 70 MET CE :methyl -136:sc= -0.442 (180deg=-1.54) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 50:sc= -2.14! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -97:sc= -1.26! USER MOD Single : A 85 CYS SG : rot -23:sc= 0.605 USER MOD Single : A 87 GLN : amide:sc= -2.69! C(o=-2.7!,f=-9.5!) USER MOD Single : A 90 MET CE :methyl -126:sc= -12.8! (180deg=-15.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 105 GLN : amide:sc= -1.24 K(o=-1.2,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.702 18.522 15.673 1.00 0.00 N ATOM 2 CA SER A 1 15.260 18.528 15.297 1.00 0.00 C ATOM 3 C SER A 1 14.860 19.929 14.829 1.00 0.00 C ATOM 4 O SER A 1 15.585 20.886 15.014 1.00 0.00 O ATOM 5 CB SER A 1 14.415 18.138 16.510 1.00 0.00 C ATOM 6 OG SER A 1 15.237 18.124 17.670 1.00 0.00 O ATOM 0 H1 SER A 1 17.180 17.726 15.204 1.00 0.00 H new ATOM 0 H2 SER A 1 17.142 19.415 15.374 1.00 0.00 H new ATOM 0 H3 SER A 1 16.791 18.420 16.704 1.00 0.00 H new ATOM 0 HA SER A 1 15.093 17.813 14.491 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.596 18.845 16.639 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.967 17.156 16.355 1.00 0.00 H new ATOM 0 HG SER A 1 14.698 17.876 18.450 1.00 0.00 H new ATOM 14 N LYS A 2 13.710 20.057 14.227 1.00 0.00 N ATOM 15 CA LYS A 2 13.262 21.394 13.751 1.00 0.00 C ATOM 16 C LYS A 2 11.786 21.582 14.099 1.00 0.00 C ATOM 17 O LYS A 2 11.079 20.635 14.378 1.00 0.00 O ATOM 18 CB LYS A 2 13.445 21.484 12.236 1.00 0.00 C ATOM 19 CG LYS A 2 14.267 22.727 11.892 1.00 0.00 C ATOM 20 CD LYS A 2 13.597 23.481 10.742 1.00 0.00 C ATOM 21 CE LYS A 2 13.556 22.587 9.500 1.00 0.00 C ATOM 22 NZ LYS A 2 14.281 23.256 8.383 1.00 0.00 N ATOM 0 H LYS A 2 13.061 19.292 14.044 1.00 0.00 H new ATOM 0 HA LYS A 2 13.854 22.172 14.233 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.947 20.590 11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.473 21.530 11.744 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.350 23.374 12.765 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.280 22.439 11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.586 23.774 11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.146 24.397 10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.013 21.622 9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.523 22.393 9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.254 22.649 7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.826 24.167 8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.270 23.420 8.660 1.00 0.00 H new ATOM 36 N VAL A 3 11.320 22.798 14.101 1.00 0.00 N ATOM 37 CA VAL A 3 9.901 23.049 14.450 1.00 0.00 C ATOM 38 C VAL A 3 9.482 24.424 13.929 1.00 0.00 C ATOM 39 O VAL A 3 10.170 25.395 14.119 1.00 0.00 O ATOM 40 CB VAL A 3 9.777 22.988 15.979 1.00 0.00 C ATOM 41 CG1 VAL A 3 8.797 24.043 16.509 1.00 0.00 C ATOM 42 CG2 VAL A 3 9.282 21.605 16.364 1.00 0.00 C ATOM 0 H VAL A 3 11.865 23.630 13.875 1.00 0.00 H new ATOM 0 HA VAL A 3 9.250 22.302 13.996 1.00 0.00 H new ATOM 0 HB VAL A 3 10.754 23.191 16.418 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.735 23.969 17.595 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.148 25.037 16.232 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.811 23.873 16.077 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.187 21.541 17.448 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.311 21.425 15.904 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.993 20.855 16.017 1.00 0.00 H new ATOM 52 N VAL A 4 8.352 24.515 13.291 1.00 0.00 N ATOM 53 CA VAL A 4 7.895 25.838 12.788 1.00 0.00 C ATOM 54 C VAL A 4 6.404 25.984 13.083 1.00 0.00 C ATOM 55 O VAL A 4 5.727 25.017 13.352 1.00 0.00 O ATOM 56 CB VAL A 4 8.153 25.936 11.286 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.587 24.714 10.593 1.00 0.00 C ATOM 58 CG2 VAL A 4 7.483 27.192 10.727 1.00 0.00 C ATOM 0 H VAL A 4 7.726 23.734 13.096 1.00 0.00 H new ATOM 0 HA VAL A 4 8.444 26.639 13.284 1.00 0.00 H new ATOM 0 HB VAL A 4 9.227 25.990 11.110 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.772 24.785 9.521 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.068 23.818 10.985 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.513 24.658 10.773 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.670 27.258 9.655 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.409 27.142 10.906 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.892 28.073 11.221 1.00 0.00 H new ATOM 68 N TYR A 5 5.892 27.183 13.066 1.00 0.00 N ATOM 69 CA TYR A 5 4.452 27.378 13.379 1.00 0.00 C ATOM 70 C TYR A 5 3.796 28.212 12.288 1.00 0.00 C ATOM 71 O TYR A 5 4.444 28.962 11.587 1.00 0.00 O ATOM 72 CB TYR A 5 4.296 28.134 14.704 1.00 0.00 C ATOM 73 CG TYR A 5 5.093 27.480 15.811 1.00 0.00 C ATOM 74 CD1 TYR A 5 6.466 27.238 15.664 1.00 0.00 C ATOM 75 CD2 TYR A 5 4.451 27.133 17.000 1.00 0.00 C ATOM 76 CE1 TYR A 5 7.188 26.644 16.703 1.00 0.00 C ATOM 77 CE2 TYR A 5 5.174 26.542 18.039 1.00 0.00 C ATOM 78 CZ TYR A 5 6.542 26.295 17.891 1.00 0.00 C ATOM 79 OH TYR A 5 7.255 25.714 18.919 1.00 0.00 O ATOM 0 H TYR A 5 6.409 28.035 12.849 1.00 0.00 H new ATOM 0 HA TYR A 5 3.982 26.397 13.447 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.626 29.165 14.577 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.243 28.168 14.983 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.967 27.511 14.747 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.394 27.321 17.117 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.245 26.455 16.587 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.675 26.275 18.959 1.00 0.00 H new ATOM 0 HH TYR A 5 7.609 26.413 19.508 1.00 0.00 H new ATOM 89 N VAL A 6 2.507 28.109 12.166 1.00 0.00 N ATOM 90 CA VAL A 6 1.785 28.913 11.148 1.00 0.00 C ATOM 91 C VAL A 6 0.662 29.666 11.846 1.00 0.00 C ATOM 92 O VAL A 6 0.031 29.152 12.745 1.00 0.00 O ATOM 93 CB VAL A 6 1.169 27.999 10.086 1.00 0.00 C ATOM 94 CG1 VAL A 6 0.806 28.827 8.850 1.00 0.00 C ATOM 95 CG2 VAL A 6 2.166 26.907 9.698 1.00 0.00 C ATOM 0 H VAL A 6 1.918 27.498 12.732 1.00 0.00 H new ATOM 0 HA VAL A 6 2.482 29.599 10.668 1.00 0.00 H new ATOM 0 HB VAL A 6 0.270 27.533 10.490 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.367 28.177 8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.087 29.598 9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.705 29.296 8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.721 26.260 8.942 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.070 27.365 9.297 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.419 26.316 10.578 1.00 0.00 H new ATOM 105 N SER A 7 0.387 30.866 11.438 1.00 0.00 N ATOM 106 CA SER A 7 -0.720 31.607 12.077 1.00 0.00 C ATOM 107 C SER A 7 -2.018 31.031 11.537 1.00 0.00 C ATOM 108 O SER A 7 -2.048 29.927 11.032 1.00 0.00 O ATOM 109 CB SER A 7 -0.624 33.093 11.728 1.00 0.00 C ATOM 110 OG SER A 7 -1.311 33.334 10.507 1.00 0.00 O ATOM 0 H SER A 7 0.878 31.362 10.694 1.00 0.00 H new ATOM 0 HA SER A 7 -0.675 31.510 13.162 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.057 33.695 12.527 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.421 33.390 11.636 1.00 0.00 H new ATOM 0 HG SER A 7 -1.253 34.286 10.281 1.00 0.00 H new ATOM 116 N HIS A 8 -3.081 31.760 11.611 1.00 0.00 N ATOM 117 CA HIS A 8 -4.355 31.231 11.064 1.00 0.00 C ATOM 118 C HIS A 8 -4.126 30.943 9.571 1.00 0.00 C ATOM 119 O HIS A 8 -3.492 29.968 9.220 1.00 0.00 O ATOM 120 CB HIS A 8 -5.477 32.260 11.271 1.00 0.00 C ATOM 121 CG HIS A 8 -5.599 32.602 12.733 1.00 0.00 C ATOM 122 ND1 HIS A 8 -4.708 33.450 13.366 1.00 0.00 N ATOM 123 CD2 HIS A 8 -6.509 32.235 13.693 1.00 0.00 C ATOM 124 CE1 HIS A 8 -5.096 33.566 14.649 1.00 0.00 C ATOM 125 NE2 HIS A 8 -6.190 32.845 14.902 1.00 0.00 N ATOM 0 H HIS A 8 -3.129 32.692 12.022 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.657 30.316 11.574 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.266 33.161 10.695 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.421 31.860 10.903 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.347 31.572 13.534 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.584 34.169 15.384 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.685 32.760 15.790 1.00 0.00 H new ATOM 133 N ASP A 9 -4.604 31.773 8.686 1.00 0.00 N ATOM 134 CA ASP A 9 -4.373 31.530 7.243 1.00 0.00 C ATOM 135 C ASP A 9 -3.424 32.604 6.695 1.00 0.00 C ATOM 136 O ASP A 9 -3.855 33.542 6.054 1.00 0.00 O ATOM 137 CB ASP A 9 -5.708 31.607 6.500 1.00 0.00 C ATOM 138 CG ASP A 9 -6.713 32.452 7.290 1.00 0.00 C ATOM 139 OD1 ASP A 9 -6.677 33.664 7.151 1.00 0.00 O ATOM 140 OD2 ASP A 9 -7.501 31.872 8.019 1.00 0.00 O ATOM 0 H ASP A 9 -5.145 32.610 8.905 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.931 30.544 7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.556 32.041 5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.106 30.603 6.350 1.00 0.00 H new ATOM 145 N GLY A 10 -2.139 32.498 6.942 1.00 0.00 N ATOM 146 CA GLY A 10 -1.214 33.548 6.422 1.00 0.00 C ATOM 147 C GLY A 10 0.200 32.988 6.225 1.00 0.00 C ATOM 148 O GLY A 10 0.489 32.329 5.246 1.00 0.00 O ATOM 0 H GLY A 10 -1.700 31.744 7.471 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.591 33.933 5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.183 34.387 7.117 1.00 0.00 H new ATOM 152 N THR A 11 1.088 33.268 7.142 1.00 0.00 N ATOM 153 CA THR A 11 2.492 32.782 7.009 1.00 0.00 C ATOM 154 C THR A 11 2.860 31.919 8.211 1.00 0.00 C ATOM 155 O THR A 11 2.026 31.557 9.013 1.00 0.00 O ATOM 156 CB THR A 11 3.437 33.988 6.929 1.00 0.00 C ATOM 157 OG1 THR A 11 4.695 33.570 6.420 1.00 0.00 O ATOM 158 CG2 THR A 11 3.625 34.597 8.321 1.00 0.00 C ATOM 0 H THR A 11 0.900 33.815 7.982 1.00 0.00 H new ATOM 0 HA THR A 11 2.584 32.183 6.103 1.00 0.00 H new ATOM 0 HB THR A 11 3.005 34.738 6.266 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.379 33.671 7.115 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.297 35.453 8.256 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.660 34.922 8.709 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.052 33.850 8.990 1.00 0.00 H new ATOM 166 N ARG A 12 4.108 31.582 8.327 1.00 0.00 N ATOM 167 CA ARG A 12 4.553 30.730 9.468 1.00 0.00 C ATOM 168 C ARG A 12 5.999 31.068 9.853 1.00 0.00 C ATOM 169 O ARG A 12 6.846 31.278 9.008 1.00 0.00 O ATOM 170 CB ARG A 12 4.470 29.260 9.054 1.00 0.00 C ATOM 171 CG ARG A 12 4.806 29.125 7.567 1.00 0.00 C ATOM 172 CD ARG A 12 4.911 27.644 7.200 1.00 0.00 C ATOM 173 NE ARG A 12 6.206 27.395 6.505 1.00 0.00 N ATOM 174 CZ ARG A 12 6.651 26.175 6.362 1.00 0.00 C ATOM 175 NH1 ARG A 12 5.962 25.166 6.825 1.00 0.00 N ATOM 176 NH2 ARG A 12 7.785 25.963 5.753 1.00 0.00 N ATOM 0 H ARG A 12 4.846 31.859 7.680 1.00 0.00 H new ATOM 0 HA ARG A 12 3.907 30.916 10.326 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.163 28.665 9.649 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.469 28.873 9.248 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.036 29.606 6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.746 29.632 7.348 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.844 27.030 8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.079 27.358 6.556 1.00 0.00 H new ATOM 0 HE ARG A 12 6.746 28.179 6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.074 25.330 7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.312 24.215 6.712 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.323 26.749 5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.133 25.011 5.641 1.00 0.00 H new ATOM 190 N ARG A 13 6.286 31.108 11.130 1.00 0.00 N ATOM 191 CA ARG A 13 7.677 31.416 11.582 1.00 0.00 C ATOM 192 C ARG A 13 8.348 30.120 12.045 1.00 0.00 C ATOM 193 O ARG A 13 7.888 29.466 12.957 1.00 0.00 O ATOM 194 CB ARG A 13 7.638 32.408 12.749 1.00 0.00 C ATOM 195 CG ARG A 13 6.415 33.319 12.613 1.00 0.00 C ATOM 196 CD ARG A 13 6.223 34.110 13.907 1.00 0.00 C ATOM 197 NE ARG A 13 5.245 35.211 13.676 1.00 0.00 N ATOM 198 CZ ARG A 13 4.704 35.831 14.690 1.00 0.00 C ATOM 199 NH1 ARG A 13 5.020 35.494 15.912 1.00 0.00 N ATOM 200 NH2 ARG A 13 3.846 36.792 14.482 1.00 0.00 N ATOM 0 H ARG A 13 5.616 30.940 11.880 1.00 0.00 H new ATOM 0 HA ARG A 13 8.238 31.855 10.757 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.598 31.869 13.696 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.549 33.006 12.761 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.548 34.001 11.773 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.526 32.724 12.403 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.865 33.452 14.699 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.176 34.520 14.240 1.00 0.00 H new ATOM 0 HE ARG A 13 4.998 35.481 12.724 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.692 34.744 16.077 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.595 35.981 16.701 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.599 37.058 13.529 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.422 37.277 15.273 1.00 0.00 H new ATOM 214 N GLN A 14 9.424 29.736 11.415 1.00 0.00 N ATOM 215 CA GLN A 14 10.111 28.470 11.809 1.00 0.00 C ATOM 216 C GLN A 14 10.982 28.694 13.057 1.00 0.00 C ATOM 217 O GLN A 14 11.199 29.808 13.490 1.00 0.00 O ATOM 218 CB GLN A 14 11.003 28.006 10.655 1.00 0.00 C ATOM 219 CG GLN A 14 11.840 29.183 10.152 1.00 0.00 C ATOM 220 CD GLN A 14 13.033 28.657 9.352 1.00 0.00 C ATOM 221 OE1 GLN A 14 12.974 27.583 8.787 1.00 0.00 O ATOM 222 NE2 GLN A 14 14.122 29.372 9.281 1.00 0.00 N ATOM 0 H GLN A 14 9.859 30.243 10.644 1.00 0.00 H new ATOM 0 HA GLN A 14 9.358 27.715 12.035 1.00 0.00 H new ATOM 0 HB2 GLN A 14 11.655 27.198 10.987 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.391 27.609 9.845 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.230 29.836 9.528 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.189 29.781 10.994 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.172 30.274 9.755 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.923 29.029 8.751 1.00 0.00 H new ATOM 231 N LEU A 15 11.503 27.629 13.611 1.00 0.00 N ATOM 232 CA LEU A 15 12.393 27.732 14.810 1.00 0.00 C ATOM 233 C LEU A 15 12.968 26.357 15.122 1.00 0.00 C ATOM 234 O LEU A 15 12.726 25.393 14.425 1.00 0.00 O ATOM 235 CB LEU A 15 11.639 28.249 16.045 1.00 0.00 C ATOM 236 CG LEU A 15 10.327 27.503 16.244 1.00 0.00 C ATOM 237 CD1 LEU A 15 10.085 27.300 17.740 1.00 0.00 C ATOM 238 CD2 LEU A 15 9.188 28.330 15.656 1.00 0.00 C ATOM 0 H LEU A 15 11.348 26.677 13.279 1.00 0.00 H new ATOM 0 HA LEU A 15 13.185 28.443 14.578 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.264 28.133 16.930 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.440 29.315 15.933 1.00 0.00 H new ATOM 0 HG LEU A 15 10.373 26.534 15.746 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.146 26.766 17.888 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.904 26.719 18.165 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.032 28.270 18.235 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.245 27.801 15.795 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.141 29.295 16.161 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.363 28.485 14.591 1.00 0.00 H new ATOM 250 N ASP A 16 13.733 26.268 16.164 1.00 0.00 N ATOM 251 CA ASP A 16 14.342 24.959 16.536 1.00 0.00 C ATOM 252 C ASP A 16 14.200 24.734 18.044 1.00 0.00 C ATOM 253 O ASP A 16 15.028 25.159 18.825 1.00 0.00 O ATOM 254 CB ASP A 16 15.826 24.965 16.163 1.00 0.00 C ATOM 255 CG ASP A 16 15.974 24.755 14.655 1.00 0.00 C ATOM 256 OD1 ASP A 16 16.055 23.610 14.241 1.00 0.00 O ATOM 257 OD2 ASP A 16 16.004 25.742 13.939 1.00 0.00 O ATOM 0 H ASP A 16 13.967 27.046 16.781 1.00 0.00 H new ATOM 0 HA ASP A 16 13.832 24.158 16.001 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.282 25.911 16.456 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.351 24.178 16.704 1.00 0.00 H new ATOM 262 N VAL A 17 13.158 24.067 18.460 1.00 0.00 N ATOM 263 CA VAL A 17 12.968 23.812 19.916 1.00 0.00 C ATOM 264 C VAL A 17 14.033 22.826 20.400 1.00 0.00 C ATOM 265 O VAL A 17 14.485 21.975 19.661 1.00 0.00 O ATOM 266 CB VAL A 17 11.580 23.215 20.148 1.00 0.00 C ATOM 267 CG1 VAL A 17 11.295 23.147 21.649 1.00 0.00 C ATOM 268 CG2 VAL A 17 10.527 24.094 19.469 1.00 0.00 C ATOM 0 H VAL A 17 12.430 23.688 17.854 1.00 0.00 H new ATOM 0 HA VAL A 17 13.059 24.748 20.467 1.00 0.00 H new ATOM 0 HB VAL A 17 11.543 22.210 19.727 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.305 22.721 21.812 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.044 22.521 22.134 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.333 24.151 22.072 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.537 23.669 19.634 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.565 25.099 19.890 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.728 24.141 18.399 1.00 0.00 H new ATOM 278 N ALA A 18 14.437 22.934 21.635 1.00 0.00 N ATOM 279 CA ALA A 18 15.473 22.002 22.164 1.00 0.00 C ATOM 280 C ALA A 18 14.806 20.701 22.608 1.00 0.00 C ATOM 281 O ALA A 18 13.597 20.584 22.624 1.00 0.00 O ATOM 282 CB ALA A 18 16.178 22.648 23.358 1.00 0.00 C ATOM 0 H ALA A 18 14.095 23.627 22.301 1.00 0.00 H new ATOM 0 HA ALA A 18 16.204 21.788 21.384 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.936 21.967 23.745 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.653 23.577 23.041 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.449 22.861 24.139 1.00 0.00 H new ATOM 288 N ASP A 19 15.586 19.722 22.975 1.00 0.00 N ATOM 289 CA ASP A 19 15.002 18.435 23.423 1.00 0.00 C ATOM 290 C ASP A 19 14.547 18.572 24.870 1.00 0.00 C ATOM 291 O ASP A 19 15.305 18.936 25.747 1.00 0.00 O ATOM 292 CB ASP A 19 16.045 17.325 23.323 1.00 0.00 C ATOM 293 CG ASP A 19 16.434 17.117 21.858 1.00 0.00 C ATOM 294 OD1 ASP A 19 15.562 17.230 21.013 1.00 0.00 O ATOM 295 OD2 ASP A 19 17.597 16.848 21.607 1.00 0.00 O ATOM 0 H ASP A 19 16.605 19.762 22.983 1.00 0.00 H new ATOM 0 HA ASP A 19 14.153 18.183 22.788 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.926 17.586 23.910 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.647 16.399 23.739 1.00 0.00 H new ATOM 300 N GLY A 20 13.310 18.285 25.118 1.00 0.00 N ATOM 301 CA GLY A 20 12.774 18.394 26.504 1.00 0.00 C ATOM 302 C GLY A 20 12.137 19.772 26.697 1.00 0.00 C ATOM 303 O GLY A 20 11.925 20.218 27.807 1.00 0.00 O ATOM 0 H GLY A 20 12.636 17.976 24.418 1.00 0.00 H new ATOM 0 HA2 GLY A 20 12.036 17.612 26.683 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.575 18.247 27.228 1.00 0.00 H new ATOM 307 N VAL A 21 11.829 20.449 25.624 1.00 0.00 N ATOM 308 CA VAL A 21 11.204 21.796 25.745 1.00 0.00 C ATOM 309 C VAL A 21 9.790 21.749 25.170 1.00 0.00 C ATOM 310 O VAL A 21 9.396 20.786 24.546 1.00 0.00 O ATOM 311 CB VAL A 21 12.032 22.820 24.961 1.00 0.00 C ATOM 312 CG1 VAL A 21 11.761 24.225 25.501 1.00 0.00 C ATOM 313 CG2 VAL A 21 13.521 22.497 25.112 1.00 0.00 C ATOM 0 H VAL A 21 11.984 20.127 24.669 1.00 0.00 H new ATOM 0 HA VAL A 21 11.167 22.085 26.795 1.00 0.00 H new ATOM 0 HB VAL A 21 11.753 22.777 23.908 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.352 24.950 24.941 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.702 24.458 25.393 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.036 24.269 26.555 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.110 23.225 24.554 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.797 22.538 26.166 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.718 21.498 24.724 1.00 0.00 H new ATOM 323 N SER A 22 9.026 22.784 25.366 1.00 0.00 N ATOM 324 CA SER A 22 7.643 22.803 24.819 1.00 0.00 C ATOM 325 C SER A 22 7.570 23.850 23.711 1.00 0.00 C ATOM 326 O SER A 22 8.121 24.926 23.830 1.00 0.00 O ATOM 327 CB SER A 22 6.657 23.163 25.931 1.00 0.00 C ATOM 328 OG SER A 22 6.700 22.163 26.939 1.00 0.00 O ATOM 0 H SER A 22 9.300 23.620 25.883 1.00 0.00 H new ATOM 0 HA SER A 22 7.387 21.821 24.420 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.909 24.135 26.356 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.648 23.244 25.526 1.00 0.00 H new ATOM 0 HG SER A 22 6.070 22.392 27.654 1.00 0.00 H new ATOM 334 N LEU A 23 6.900 23.556 22.633 1.00 0.00 N ATOM 335 CA LEU A 23 6.812 24.558 21.538 1.00 0.00 C ATOM 336 C LEU A 23 6.422 25.908 22.139 1.00 0.00 C ATOM 337 O LEU A 23 6.704 26.949 21.583 1.00 0.00 O ATOM 338 CB LEU A 23 5.766 24.121 20.503 1.00 0.00 C ATOM 339 CG LEU A 23 6.280 22.945 19.644 1.00 0.00 C ATOM 340 CD1 LEU A 23 5.752 23.098 18.217 1.00 0.00 C ATOM 341 CD2 LEU A 23 7.813 22.914 19.604 1.00 0.00 C ATOM 0 H LEU A 23 6.415 22.675 22.464 1.00 0.00 H new ATOM 0 HA LEU A 23 7.777 24.641 21.037 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.848 23.827 21.013 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.517 24.963 19.858 1.00 0.00 H new ATOM 0 HG LEU A 23 5.925 22.016 20.089 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.112 22.271 17.605 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.662 23.093 18.230 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.106 24.040 17.797 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.144 22.075 18.992 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.185 23.845 19.176 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.201 22.800 20.616 1.00 0.00 H new ATOM 353 N MET A 24 5.794 25.900 23.285 1.00 0.00 N ATOM 354 CA MET A 24 5.415 27.186 23.929 1.00 0.00 C ATOM 355 C MET A 24 6.683 27.838 24.482 1.00 0.00 C ATOM 356 O MET A 24 6.931 29.011 24.282 1.00 0.00 O ATOM 357 CB MET A 24 4.433 26.919 25.073 1.00 0.00 C ATOM 358 CG MET A 24 4.300 28.175 25.936 1.00 0.00 C ATOM 359 SD MET A 24 3.121 27.865 27.274 1.00 0.00 S ATOM 360 CE MET A 24 4.333 27.657 28.602 1.00 0.00 C ATOM 0 H MET A 24 5.529 25.060 23.800 1.00 0.00 H new ATOM 0 HA MET A 24 4.939 27.845 23.202 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.460 26.636 24.672 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.783 26.084 25.679 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.271 28.450 26.349 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.963 29.014 25.327 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.815 27.453 29.539 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.994 26.824 28.364 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.921 28.569 28.704 1.00 0.00 H new ATOM 370 N GLN A 25 7.496 27.078 25.168 1.00 0.00 N ATOM 371 CA GLN A 25 8.757 27.642 25.724 1.00 0.00 C ATOM 372 C GLN A 25 9.550 28.299 24.593 1.00 0.00 C ATOM 373 O GLN A 25 9.827 29.481 24.624 1.00 0.00 O ATOM 374 CB GLN A 25 9.590 26.519 26.347 1.00 0.00 C ATOM 375 CG GLN A 25 8.951 26.082 27.667 1.00 0.00 C ATOM 376 CD GLN A 25 9.962 26.244 28.803 1.00 0.00 C ATOM 377 OE1 GLN A 25 9.654 26.817 29.829 1.00 0.00 O ATOM 378 NE2 GLN A 25 11.166 25.760 28.662 1.00 0.00 N ATOM 0 H GLN A 25 7.339 26.090 25.366 1.00 0.00 H new ATOM 0 HA GLN A 25 8.523 28.382 26.489 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.650 25.673 25.662 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.610 26.862 26.520 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.063 26.681 27.869 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.627 25.043 27.600 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.425 25.279 27.801 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.848 25.863 29.413 1.00 0.00 H new ATOM 387 N ALA A 26 9.910 27.546 23.587 1.00 0.00 N ATOM 388 CA ALA A 26 10.673 28.144 22.453 1.00 0.00 C ATOM 389 C ALA A 26 9.910 29.360 21.928 1.00 0.00 C ATOM 390 O ALA A 26 10.475 30.410 21.703 1.00 0.00 O ATOM 391 CB ALA A 26 10.818 27.112 21.330 1.00 0.00 C ATOM 0 H ALA A 26 9.710 26.549 23.502 1.00 0.00 H new ATOM 0 HA ALA A 26 11.663 28.445 22.795 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.376 27.551 20.503 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.352 26.239 21.705 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.830 26.811 20.982 1.00 0.00 H new ATOM 397 N ALA A 27 8.628 29.224 21.730 1.00 0.00 N ATOM 398 CA ALA A 27 7.819 30.366 21.217 1.00 0.00 C ATOM 399 C ALA A 27 8.186 31.645 21.973 1.00 0.00 C ATOM 400 O ALA A 27 8.227 32.717 21.408 1.00 0.00 O ATOM 401 CB ALA A 27 6.332 30.066 21.419 1.00 0.00 C ATOM 0 H ALA A 27 8.103 28.367 21.902 1.00 0.00 H new ATOM 0 HA ALA A 27 8.026 30.504 20.156 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.738 30.900 21.045 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.067 29.159 20.876 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.130 29.925 22.481 1.00 0.00 H new ATOM 407 N VAL A 28 8.444 31.545 23.247 1.00 0.00 N ATOM 408 CA VAL A 28 8.800 32.762 24.036 1.00 0.00 C ATOM 409 C VAL A 28 9.789 33.623 23.246 1.00 0.00 C ATOM 410 O VAL A 28 9.604 34.814 23.089 1.00 0.00 O ATOM 411 CB VAL A 28 9.441 32.338 25.359 1.00 0.00 C ATOM 412 CG1 VAL A 28 9.789 33.581 26.179 1.00 0.00 C ATOM 413 CG2 VAL A 28 8.457 31.469 26.146 1.00 0.00 C ATOM 0 H VAL A 28 8.424 30.674 23.778 1.00 0.00 H new ATOM 0 HA VAL A 28 7.897 33.340 24.232 1.00 0.00 H new ATOM 0 HB VAL A 28 10.349 31.770 25.157 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.246 33.279 27.122 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.489 34.202 25.619 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.881 34.149 26.381 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.913 31.166 27.089 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.550 32.038 26.348 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.207 30.583 25.563 1.00 0.00 H new ATOM 423 N SER A 29 10.839 33.030 22.752 1.00 0.00 N ATOM 424 CA SER A 29 11.850 33.805 21.975 1.00 0.00 C ATOM 425 C SER A 29 11.434 33.862 20.508 1.00 0.00 C ATOM 426 O SER A 29 11.375 34.914 19.904 1.00 0.00 O ATOM 427 CB SER A 29 13.189 33.091 22.062 1.00 0.00 C ATOM 428 OG SER A 29 14.229 33.990 21.701 1.00 0.00 O ATOM 0 H SER A 29 11.043 32.036 22.853 1.00 0.00 H new ATOM 0 HA SER A 29 11.923 34.814 22.381 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.350 32.719 23.074 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.196 32.225 21.400 1.00 0.00 H new ATOM 0 HG SER A 29 15.093 33.531 21.759 1.00 0.00 H new ATOM 434 N ASN A 30 11.144 32.725 19.939 1.00 0.00 N ATOM 435 CA ASN A 30 10.725 32.668 18.513 1.00 0.00 C ATOM 436 C ASN A 30 9.790 33.836 18.203 1.00 0.00 C ATOM 437 O ASN A 30 9.684 34.282 17.078 1.00 0.00 O ATOM 438 CB ASN A 30 9.987 31.352 18.275 1.00 0.00 C ATOM 439 CG ASN A 30 10.769 30.202 18.909 1.00 0.00 C ATOM 440 OD1 ASN A 30 10.187 29.248 19.382 1.00 0.00 O ATOM 441 ND2 ASN A 30 12.072 30.254 18.949 1.00 0.00 N ATOM 0 H ASN A 30 11.181 31.821 20.410 1.00 0.00 H new ATOM 0 HA ASN A 30 11.601 32.731 17.867 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.986 31.403 18.702 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.869 31.178 17.205 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.600 29.494 19.377 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.563 31.055 18.552 1.00 0.00 H new ATOM 448 N GLY A 31 9.112 34.334 19.197 1.00 0.00 N ATOM 449 CA GLY A 31 8.180 35.475 18.969 1.00 0.00 C ATOM 450 C GLY A 31 6.759 34.950 18.753 1.00 0.00 C ATOM 451 O GLY A 31 5.817 35.710 18.655 1.00 0.00 O ATOM 0 H GLY A 31 9.162 34.001 20.160 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.202 36.150 19.824 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.501 36.050 18.100 1.00 0.00 H new ATOM 455 N ILE A 32 6.590 33.656 18.693 1.00 0.00 N ATOM 456 CA ILE A 32 5.216 33.098 18.500 1.00 0.00 C ATOM 457 C ILE A 32 4.509 33.123 19.840 1.00 0.00 C ATOM 458 O ILE A 32 3.303 33.234 19.932 1.00 0.00 O ATOM 459 CB ILE A 32 5.279 31.656 17.991 1.00 0.00 C ATOM 460 CG1 ILE A 32 6.597 31.432 17.260 1.00 0.00 C ATOM 461 CG2 ILE A 32 4.115 31.402 17.031 1.00 0.00 C ATOM 462 CD1 ILE A 32 6.580 30.064 16.586 1.00 0.00 C ATOM 0 H ILE A 32 7.336 32.965 18.768 1.00 0.00 H new ATOM 0 HA ILE A 32 4.682 33.697 17.762 1.00 0.00 H new ATOM 0 HB ILE A 32 5.210 30.970 18.835 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.750 32.214 16.516 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.429 31.493 17.962 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.160 30.375 16.668 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.171 31.562 17.553 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.183 32.088 16.187 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.523 29.904 16.063 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.447 29.288 17.340 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.757 30.020 15.872 1.00 0.00 H new ATOM 474 N TYR A 33 5.265 33.033 20.882 1.00 0.00 N ATOM 475 CA TYR A 33 4.656 33.071 22.236 1.00 0.00 C ATOM 476 C TYR A 33 3.697 34.264 22.286 1.00 0.00 C ATOM 477 O TYR A 33 2.691 34.244 22.967 1.00 0.00 O ATOM 478 CB TYR A 33 5.777 33.200 23.292 1.00 0.00 C ATOM 479 CG TYR A 33 5.608 34.450 24.134 1.00 0.00 C ATOM 480 CD1 TYR A 33 5.754 35.713 23.548 1.00 0.00 C ATOM 481 CD2 TYR A 33 5.307 34.341 25.496 1.00 0.00 C ATOM 482 CE1 TYR A 33 5.599 36.867 24.325 1.00 0.00 C ATOM 483 CE2 TYR A 33 5.151 35.495 26.274 1.00 0.00 C ATOM 484 CZ TYR A 33 5.297 36.758 25.688 1.00 0.00 C ATOM 485 OH TYR A 33 5.144 37.895 26.454 1.00 0.00 O ATOM 0 H TYR A 33 6.280 32.934 20.862 1.00 0.00 H new ATOM 0 HA TYR A 33 4.100 32.158 22.450 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.772 32.322 23.938 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.746 33.224 22.794 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.986 35.797 22.497 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.195 33.366 25.948 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.712 37.841 23.873 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.918 35.411 27.325 1.00 0.00 H new ATOM 0 HH TYR A 33 4.936 37.642 27.378 1.00 0.00 H new ATOM 495 N ASP A 34 4.010 35.299 21.558 1.00 0.00 N ATOM 496 CA ASP A 34 3.130 36.497 21.544 1.00 0.00 C ATOM 497 C ASP A 34 2.141 36.384 20.383 1.00 0.00 C ATOM 498 O ASP A 34 1.070 36.957 20.415 1.00 0.00 O ATOM 499 CB ASP A 34 3.983 37.755 21.369 1.00 0.00 C ATOM 500 CG ASP A 34 3.303 38.934 22.068 1.00 0.00 C ATOM 501 OD1 ASP A 34 2.230 38.736 22.613 1.00 0.00 O ATOM 502 OD2 ASP A 34 3.867 40.016 22.046 1.00 0.00 O ATOM 0 H ASP A 34 4.841 35.366 20.970 1.00 0.00 H new ATOM 0 HA ASP A 34 2.583 36.560 22.485 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.977 37.595 21.787 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.115 37.974 20.309 1.00 0.00 H new ATOM 507 N ILE A 35 2.485 35.653 19.355 1.00 0.00 N ATOM 508 CA ILE A 35 1.546 35.521 18.205 1.00 0.00 C ATOM 509 C ILE A 35 0.233 34.897 18.695 1.00 0.00 C ATOM 510 O ILE A 35 -0.832 35.184 18.185 1.00 0.00 O ATOM 511 CB ILE A 35 2.187 34.653 17.105 1.00 0.00 C ATOM 512 CG1 ILE A 35 1.701 35.137 15.737 1.00 0.00 C ATOM 513 CG2 ILE A 35 1.810 33.177 17.279 1.00 0.00 C ATOM 514 CD1 ILE A 35 0.186 34.951 15.638 1.00 0.00 C ATOM 0 H ILE A 35 3.366 35.147 19.263 1.00 0.00 H new ATOM 0 HA ILE A 35 1.334 36.504 17.785 1.00 0.00 H new ATOM 0 HB ILE A 35 3.271 34.745 17.179 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.959 36.187 15.598 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.199 34.579 14.944 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.276 32.587 16.490 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.159 32.824 18.249 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.727 33.069 17.222 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.160 35.296 14.664 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.060 33.896 15.758 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.304 35.529 16.422 1.00 0.00 H new ATOM 526 N VAL A 36 0.304 34.047 19.685 1.00 0.00 N ATOM 527 CA VAL A 36 -0.934 33.406 20.213 1.00 0.00 C ATOM 528 C VAL A 36 -0.644 32.794 21.586 1.00 0.00 C ATOM 529 O VAL A 36 0.405 33.004 22.161 1.00 0.00 O ATOM 530 CB VAL A 36 -1.392 32.306 19.252 1.00 0.00 C ATOM 531 CG1 VAL A 36 -2.080 32.939 18.041 1.00 0.00 C ATOM 532 CG2 VAL A 36 -0.179 31.498 18.785 1.00 0.00 C ATOM 0 H VAL A 36 1.168 33.769 20.151 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.719 34.156 20.306 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.093 31.646 19.764 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.406 32.155 17.357 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.945 33.514 18.373 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.380 33.600 17.529 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.505 30.715 18.101 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.523 32.157 18.274 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.311 31.046 19.647 1.00 0.00 H new ATOM 542 N GLY A 37 -1.567 32.037 22.117 1.00 0.00 N ATOM 543 CA GLY A 37 -1.342 31.413 23.453 1.00 0.00 C ATOM 544 C GLY A 37 -2.513 31.749 24.379 1.00 0.00 C ATOM 545 O GLY A 37 -3.311 32.619 24.094 1.00 0.00 O ATOM 0 H GLY A 37 -2.466 31.824 21.684 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.245 30.332 23.349 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.409 31.777 23.883 1.00 0.00 H new ATOM 549 N ASP A 38 -2.623 31.065 25.486 1.00 0.00 N ATOM 550 CA ASP A 38 -3.744 31.349 26.427 1.00 0.00 C ATOM 551 C ASP A 38 -3.341 30.945 27.847 1.00 0.00 C ATOM 552 O ASP A 38 -2.755 31.717 28.579 1.00 0.00 O ATOM 553 CB ASP A 38 -4.982 30.556 26.002 1.00 0.00 C ATOM 554 CG ASP A 38 -6.034 30.620 27.110 1.00 0.00 C ATOM 555 OD1 ASP A 38 -6.695 31.640 27.214 1.00 0.00 O ATOM 556 OD2 ASP A 38 -6.162 29.648 27.836 1.00 0.00 O ATOM 0 H ASP A 38 -1.987 30.324 25.779 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.970 32.415 26.406 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.388 30.964 25.076 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.712 29.519 25.802 1.00 0.00 H new ATOM 561 N CYS A 39 -3.655 29.741 28.247 1.00 0.00 N ATOM 562 CA CYS A 39 -3.292 29.296 29.622 1.00 0.00 C ATOM 563 C CYS A 39 -1.831 28.836 29.645 1.00 0.00 C ATOM 564 O CYS A 39 -1.263 28.597 30.692 1.00 0.00 O ATOM 565 CB CYS A 39 -4.211 28.144 30.048 1.00 0.00 C ATOM 566 SG CYS A 39 -3.731 26.616 29.199 1.00 0.00 S ATOM 0 H CYS A 39 -4.146 29.049 27.681 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.415 30.127 30.317 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.153 28.003 31.127 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.247 28.389 29.814 1.00 0.00 H new ATOM 571 N GLY A 40 -1.221 28.710 28.499 1.00 0.00 N ATOM 572 CA GLY A 40 0.202 28.266 28.456 1.00 0.00 C ATOM 573 C GLY A 40 0.404 27.101 29.426 1.00 0.00 C ATOM 574 O GLY A 40 0.937 27.266 30.506 1.00 0.00 O ATOM 0 H GLY A 40 -1.646 28.895 27.590 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.468 27.960 27.444 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.860 29.093 28.723 1.00 0.00 H new ATOM 578 N GLY A 41 -0.017 25.924 29.052 1.00 0.00 N ATOM 579 CA GLY A 41 0.153 24.751 29.955 1.00 0.00 C ATOM 580 C GLY A 41 -0.608 23.552 29.386 1.00 0.00 C ATOM 581 O GLY A 41 -0.878 23.481 28.204 1.00 0.00 O ATOM 0 H GLY A 41 -0.471 25.724 28.161 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.211 24.508 30.057 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.217 24.990 30.952 1.00 0.00 H new ATOM 585 N SER A 42 -0.956 22.609 30.218 1.00 0.00 N ATOM 586 CA SER A 42 -1.699 21.416 29.724 1.00 0.00 C ATOM 587 C SER A 42 -3.031 21.860 29.116 1.00 0.00 C ATOM 588 O SER A 42 -3.418 23.008 29.216 1.00 0.00 O ATOM 589 CB SER A 42 -1.964 20.462 30.889 1.00 0.00 C ATOM 590 OG SER A 42 -3.103 20.909 31.613 1.00 0.00 O ATOM 0 H SER A 42 -0.758 22.613 31.219 1.00 0.00 H new ATOM 0 HA SER A 42 -1.105 20.907 28.965 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.130 19.451 30.516 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.095 20.421 31.545 1.00 0.00 H new ATOM 0 HG SER A 42 -3.276 20.298 32.360 1.00 0.00 H new ATOM 596 N ALA A 43 -3.736 20.960 28.488 1.00 0.00 N ATOM 597 CA ALA A 43 -5.043 21.331 27.874 1.00 0.00 C ATOM 598 C ALA A 43 -6.003 21.803 28.968 1.00 0.00 C ATOM 599 O ALA A 43 -6.608 21.010 29.661 1.00 0.00 O ATOM 600 CB ALA A 43 -5.637 20.114 27.164 1.00 0.00 C ATOM 0 H ALA A 43 -3.464 19.984 28.373 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.891 22.133 27.152 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.593 20.385 26.715 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.953 19.777 26.385 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.790 19.311 27.885 1.00 0.00 H new ATOM 606 N SER A 44 -6.149 23.090 29.128 1.00 0.00 N ATOM 607 CA SER A 44 -7.070 23.610 30.177 1.00 0.00 C ATOM 608 C SER A 44 -7.891 24.771 29.611 1.00 0.00 C ATOM 609 O SER A 44 -8.636 25.418 30.320 1.00 0.00 O ATOM 610 CB SER A 44 -6.253 24.100 31.373 1.00 0.00 C ATOM 611 OG SER A 44 -6.442 23.211 32.466 1.00 0.00 O ATOM 0 H SER A 44 -5.670 23.803 28.578 1.00 0.00 H new ATOM 0 HA SER A 44 -7.742 22.813 30.495 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.197 24.152 31.110 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.562 25.108 31.651 1.00 0.00 H new ATOM 0 HG SER A 44 -5.918 23.521 33.234 1.00 0.00 H new ATOM 617 N CYS A 45 -7.764 25.040 28.340 1.00 0.00 N ATOM 618 CA CYS A 45 -8.542 26.159 27.737 1.00 0.00 C ATOM 619 C CYS A 45 -8.956 25.787 26.310 1.00 0.00 C ATOM 620 O CYS A 45 -9.106 24.628 25.979 1.00 0.00 O ATOM 621 CB CYS A 45 -7.681 27.430 27.720 1.00 0.00 C ATOM 622 SG CYS A 45 -6.466 27.344 26.376 1.00 0.00 S ATOM 0 H CYS A 45 -7.157 24.535 27.695 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.438 26.342 28.330 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.316 28.307 27.591 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.170 27.545 28.676 1.00 0.00 H new ATOM 627 N ALA A 46 -9.139 26.763 25.463 1.00 0.00 N ATOM 628 CA ALA A 46 -9.540 26.466 24.059 1.00 0.00 C ATOM 629 C ALA A 46 -9.124 27.625 23.149 1.00 0.00 C ATOM 630 O ALA A 46 -9.631 27.780 22.056 1.00 0.00 O ATOM 631 CB ALA A 46 -11.058 26.284 23.990 1.00 0.00 C ATOM 0 H ALA A 46 -9.028 27.753 25.683 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.047 25.552 23.728 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.352 26.067 22.963 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.355 25.457 24.635 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.550 27.198 24.322 1.00 0.00 H new ATOM 637 N THR A 47 -8.205 28.442 23.590 1.00 0.00 N ATOM 638 CA THR A 47 -7.762 29.588 22.747 1.00 0.00 C ATOM 639 C THR A 47 -6.582 29.156 21.873 1.00 0.00 C ATOM 640 O THR A 47 -6.379 29.672 20.791 1.00 0.00 O ATOM 641 CB THR A 47 -7.331 30.748 23.648 1.00 0.00 C ATOM 642 OG1 THR A 47 -7.495 30.373 25.009 1.00 0.00 O ATOM 643 CG2 THR A 47 -8.191 31.976 23.348 1.00 0.00 C ATOM 0 H THR A 47 -7.743 28.365 24.496 1.00 0.00 H new ATOM 0 HA THR A 47 -8.586 29.908 22.110 1.00 0.00 H new ATOM 0 HB THR A 47 -6.284 30.986 23.459 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.134 30.978 25.440 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.883 32.801 23.990 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.065 32.262 22.304 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.239 31.741 23.536 1.00 0.00 H new ATOM 651 N CYS A 48 -5.804 28.214 22.330 1.00 0.00 N ATOM 652 CA CYS A 48 -4.639 27.752 21.522 1.00 0.00 C ATOM 653 C CYS A 48 -5.081 26.657 20.546 1.00 0.00 C ATOM 654 O CYS A 48 -4.395 25.680 20.355 1.00 0.00 O ATOM 655 CB CYS A 48 -3.533 27.237 22.443 1.00 0.00 C ATOM 656 SG CYS A 48 -4.049 25.705 23.248 1.00 0.00 S ATOM 0 H CYS A 48 -5.924 27.744 23.227 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.247 28.592 20.948 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.623 27.065 21.868 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.297 27.990 23.196 1.00 0.00 H new ATOM 661 N HIS A 49 -6.222 26.839 19.922 1.00 0.00 N ATOM 662 CA HIS A 49 -6.746 25.846 18.925 1.00 0.00 C ATOM 663 C HIS A 49 -5.708 25.696 17.803 1.00 0.00 C ATOM 664 O HIS A 49 -5.826 26.287 16.751 1.00 0.00 O ATOM 665 CB HIS A 49 -8.052 26.429 18.357 1.00 0.00 C ATOM 666 CG HIS A 49 -8.678 25.509 17.362 1.00 0.00 C ATOM 667 ND1 HIS A 49 -9.541 24.500 17.734 1.00 0.00 N ATOM 668 CD2 HIS A 49 -8.618 25.467 15.993 1.00 0.00 C ATOM 669 CE1 HIS A 49 -9.956 23.898 16.618 1.00 0.00 C ATOM 670 NE2 HIS A 49 -9.432 24.449 15.527 1.00 0.00 N ATOM 0 H HIS A 49 -6.824 27.650 20.064 1.00 0.00 H new ATOM 0 HA HIS A 49 -6.928 24.871 19.376 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.752 26.616 19.171 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.847 27.390 17.886 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.027 26.126 15.374 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.638 23.061 16.602 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.595 24.180 14.557 1.00 0.00 H new ATOM 678 N VAL A 50 -4.673 24.933 18.010 1.00 0.00 N ATOM 679 CA VAL A 50 -3.645 24.836 16.949 1.00 0.00 C ATOM 680 C VAL A 50 -3.930 23.707 15.987 1.00 0.00 C ATOM 681 O VAL A 50 -4.440 22.662 16.338 1.00 0.00 O ATOM 682 CB VAL A 50 -2.273 24.608 17.562 1.00 0.00 C ATOM 683 CG1 VAL A 50 -2.019 25.648 18.655 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.215 23.202 18.162 1.00 0.00 C ATOM 0 H VAL A 50 -4.499 24.384 18.852 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.667 25.778 16.402 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.508 24.706 16.792 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.035 25.482 19.093 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.060 26.648 18.223 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.781 25.556 19.429 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.232 23.035 18.603 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.980 23.103 18.932 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.392 22.465 17.379 1.00 0.00 H new ATOM 694 N TYR A 51 -3.567 23.929 14.769 1.00 0.00 N ATOM 695 CA TYR A 51 -3.752 22.917 13.720 1.00 0.00 C ATOM 696 C TYR A 51 -2.365 22.444 13.286 1.00 0.00 C ATOM 697 O TYR A 51 -1.574 23.197 12.756 1.00 0.00 O ATOM 698 CB TYR A 51 -4.482 23.579 12.570 1.00 0.00 C ATOM 699 CG TYR A 51 -5.984 23.496 12.780 1.00 0.00 C ATOM 700 CD1 TYR A 51 -6.525 23.025 13.991 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.841 23.864 11.738 1.00 0.00 C ATOM 702 CE1 TYR A 51 -7.912 22.921 14.137 1.00 0.00 C ATOM 703 CE2 TYR A 51 -8.226 23.767 11.892 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.763 23.291 13.087 1.00 0.00 C ATOM 705 OH TYR A 51 -10.134 23.198 13.232 1.00 0.00 O ATOM 0 H TYR A 51 -3.137 24.797 14.450 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.331 22.060 14.066 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.177 24.622 12.489 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.212 23.094 11.632 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.872 22.745 14.804 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.429 24.226 10.808 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.329 22.554 15.063 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.881 24.061 11.085 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.344 22.643 14.012 1.00 0.00 H new ATOM 715 N VAL A 52 -2.051 21.215 13.562 1.00 0.00 N ATOM 716 CA VAL A 52 -0.693 20.686 13.236 1.00 0.00 C ATOM 717 C VAL A 52 -0.694 19.835 11.967 1.00 0.00 C ATOM 718 O VAL A 52 -1.726 19.491 11.426 1.00 0.00 O ATOM 719 CB VAL A 52 -0.234 19.819 14.404 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.263 19.535 14.282 1.00 0.00 C ATOM 721 CG2 VAL A 52 -0.526 20.556 15.712 1.00 0.00 C ATOM 0 H VAL A 52 -2.679 20.544 14.004 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.026 21.531 13.068 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.769 18.870 14.393 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.585 18.915 15.119 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.459 19.011 13.346 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.814 20.475 14.294 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.202 19.945 16.554 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.012 21.504 15.723 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.596 20.745 15.792 1.00 0.00 H new ATOM 731 N ASN A 53 0.481 19.481 11.506 1.00 0.00 N ATOM 732 CA ASN A 53 0.595 18.636 10.292 1.00 0.00 C ATOM 733 C ASN A 53 0.183 17.208 10.648 1.00 0.00 C ATOM 734 O ASN A 53 0.255 16.799 11.789 1.00 0.00 O ATOM 735 CB ASN A 53 2.044 18.642 9.800 1.00 0.00 C ATOM 736 CG ASN A 53 2.091 19.134 8.352 1.00 0.00 C ATOM 737 OD1 ASN A 53 2.486 18.406 7.463 1.00 0.00 O ATOM 738 ND2 ASN A 53 1.700 20.348 8.075 1.00 0.00 N ATOM 0 H ASN A 53 1.370 19.748 11.928 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.052 19.025 9.506 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.652 19.288 10.434 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.466 17.639 9.868 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.726 20.685 7.113 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.368 20.960 8.821 1.00 0.00 H new ATOM 745 N GLU A 54 -0.254 16.450 9.685 1.00 0.00 N ATOM 746 CA GLU A 54 -0.682 15.050 9.971 1.00 0.00 C ATOM 747 C GLU A 54 0.539 14.128 10.036 1.00 0.00 C ATOM 748 O GLU A 54 0.411 12.920 10.045 1.00 0.00 O ATOM 749 CB GLU A 54 -1.619 14.571 8.860 1.00 0.00 C ATOM 750 CG GLU A 54 -0.896 14.646 7.514 1.00 0.00 C ATOM 751 CD GLU A 54 -0.462 13.243 7.087 1.00 0.00 C ATOM 752 OE1 GLU A 54 -0.972 12.289 7.652 1.00 0.00 O ATOM 753 OE2 GLU A 54 0.374 13.146 6.204 1.00 0.00 O ATOM 0 H GLU A 54 -0.334 16.737 8.710 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.199 15.024 10.930 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.939 13.548 9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.518 15.187 8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.553 15.080 6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.027 15.299 7.592 1.00 0.00 H new ATOM 760 N ALA A 55 1.722 14.678 10.077 1.00 0.00 N ATOM 761 CA ALA A 55 2.934 13.814 10.137 1.00 0.00 C ATOM 762 C ALA A 55 3.599 13.935 11.509 1.00 0.00 C ATOM 763 O ALA A 55 4.240 13.015 11.978 1.00 0.00 O ATOM 764 CB ALA A 55 3.922 14.244 9.051 1.00 0.00 C ATOM 0 H ALA A 55 1.901 15.682 10.072 1.00 0.00 H new ATOM 0 HA ALA A 55 2.640 12.777 9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.809 13.612 9.095 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.453 14.144 8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.209 15.283 9.211 1.00 0.00 H new ATOM 770 N PHE A 56 3.461 15.057 12.156 1.00 0.00 N ATOM 771 CA PHE A 56 4.097 15.221 13.493 1.00 0.00 C ATOM 772 C PHE A 56 3.052 15.012 14.590 1.00 0.00 C ATOM 773 O PHE A 56 3.381 14.745 15.728 1.00 0.00 O ATOM 774 CB PHE A 56 4.699 16.620 13.602 1.00 0.00 C ATOM 775 CG PHE A 56 5.868 16.723 12.652 1.00 0.00 C ATOM 776 CD1 PHE A 56 5.640 16.831 11.275 1.00 0.00 C ATOM 777 CD2 PHE A 56 7.179 16.706 13.144 1.00 0.00 C ATOM 778 CE1 PHE A 56 6.721 16.921 10.391 1.00 0.00 C ATOM 779 CE2 PHE A 56 8.259 16.798 12.259 1.00 0.00 C ATOM 780 CZ PHE A 56 8.030 16.905 10.883 1.00 0.00 C ATOM 0 H PHE A 56 2.938 15.865 11.819 1.00 0.00 H new ATOM 0 HA PHE A 56 4.888 14.481 13.613 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.949 17.373 13.360 1.00 0.00 H new ATOM 0 HB3 PHE A 56 5.026 16.812 14.624 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.629 16.845 10.895 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.356 16.622 14.206 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.544 17.003 9.329 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.270 16.786 12.638 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.864 16.975 10.201 1.00 0.00 H new ATOM 790 N THR A 57 1.794 15.122 14.259 1.00 0.00 N ATOM 791 CA THR A 57 0.738 14.918 15.290 1.00 0.00 C ATOM 792 C THR A 57 0.832 13.490 15.831 1.00 0.00 C ATOM 793 O THR A 57 0.384 13.198 16.922 1.00 0.00 O ATOM 794 CB THR A 57 -0.640 15.130 14.661 1.00 0.00 C ATOM 795 OG1 THR A 57 -0.596 14.757 13.291 1.00 0.00 O ATOM 796 CG2 THR A 57 -1.033 16.601 14.778 1.00 0.00 C ATOM 0 H THR A 57 1.453 15.343 13.323 1.00 0.00 H new ATOM 0 HA THR A 57 0.880 15.631 16.102 1.00 0.00 H new ATOM 0 HB THR A 57 -1.376 14.517 15.181 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.345 15.534 12.748 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.015 16.752 14.330 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.066 16.886 15.830 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.298 17.216 14.258 1.00 0.00 H new ATOM 804 N ASP A 58 1.411 12.597 15.075 1.00 0.00 N ATOM 805 CA ASP A 58 1.532 11.188 15.544 1.00 0.00 C ATOM 806 C ASP A 58 2.791 11.042 16.401 1.00 0.00 C ATOM 807 O ASP A 58 2.879 10.176 17.249 1.00 0.00 O ATOM 808 CB ASP A 58 1.626 10.254 14.335 1.00 0.00 C ATOM 809 CG ASP A 58 1.133 8.860 14.727 1.00 0.00 C ATOM 810 OD1 ASP A 58 1.244 8.520 15.893 1.00 0.00 O ATOM 811 OD2 ASP A 58 0.652 8.157 13.854 1.00 0.00 O ATOM 0 H ASP A 58 1.805 12.783 14.153 1.00 0.00 H new ATOM 0 HA ASP A 58 0.656 10.926 16.138 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.027 10.645 13.513 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.656 10.201 13.982 1.00 0.00 H new ATOM 816 N LYS A 59 3.767 11.882 16.187 1.00 0.00 N ATOM 817 CA LYS A 59 5.018 11.790 16.990 1.00 0.00 C ATOM 818 C LYS A 59 4.775 12.380 18.381 1.00 0.00 C ATOM 819 O LYS A 59 5.585 12.242 19.275 1.00 0.00 O ATOM 820 CB LYS A 59 6.128 12.575 16.292 1.00 0.00 C ATOM 821 CG LYS A 59 6.588 11.813 15.048 1.00 0.00 C ATOM 822 CD LYS A 59 6.922 10.368 15.427 1.00 0.00 C ATOM 823 CE LYS A 59 8.071 9.863 14.553 1.00 0.00 C ATOM 824 NZ LYS A 59 7.518 9.108 13.393 1.00 0.00 N ATOM 0 H LYS A 59 3.752 12.627 15.491 1.00 0.00 H new ATOM 0 HA LYS A 59 5.314 10.745 17.085 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.767 13.565 16.012 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.967 12.722 16.972 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.806 11.829 14.289 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.463 12.298 14.615 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.200 10.312 16.479 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.045 9.734 15.295 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.671 10.702 14.202 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.731 9.222 15.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.299 8.764 12.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.964 8.299 13.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.905 9.734 12.832 1.00 0.00 H new ATOM 838 N VAL A 60 3.661 13.032 18.571 1.00 0.00 N ATOM 839 CA VAL A 60 3.362 13.624 19.908 1.00 0.00 C ATOM 840 C VAL A 60 2.488 12.643 20.698 1.00 0.00 C ATOM 841 O VAL A 60 2.019 11.664 20.153 1.00 0.00 O ATOM 842 CB VAL A 60 2.628 14.971 19.757 1.00 0.00 C ATOM 843 CG1 VAL A 60 3.494 16.088 20.341 1.00 0.00 C ATOM 844 CG2 VAL A 60 2.354 15.279 18.280 1.00 0.00 C ATOM 0 H VAL A 60 2.945 13.181 17.860 1.00 0.00 H new ATOM 0 HA VAL A 60 4.298 13.804 20.437 1.00 0.00 H new ATOM 0 HB VAL A 60 1.678 14.908 20.288 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.977 17.042 20.236 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.679 15.890 21.397 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.444 16.129 19.807 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.835 16.234 18.198 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.298 15.331 17.738 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.733 14.491 17.853 1.00 0.00 H new ATOM 854 N PRO A 61 2.301 12.929 21.962 1.00 0.00 N ATOM 855 CA PRO A 61 1.493 12.071 22.846 1.00 0.00 C ATOM 856 C PRO A 61 0.062 11.953 22.313 1.00 0.00 C ATOM 857 O PRO A 61 -0.344 12.680 21.429 1.00 0.00 O ATOM 858 CB PRO A 61 1.510 12.781 24.207 1.00 0.00 C ATOM 859 CG PRO A 61 2.400 14.044 24.067 1.00 0.00 C ATOM 860 CD PRO A 61 2.873 14.123 22.607 1.00 0.00 C ATOM 0 HA PRO A 61 1.886 11.056 22.910 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.499 13.056 24.508 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.903 12.119 24.979 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.839 14.939 24.336 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.253 13.987 24.743 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.524 15.037 22.127 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.961 14.124 22.543 1.00 0.00 H new ATOM 868 N ALA A 62 -0.703 11.040 22.845 1.00 0.00 N ATOM 869 CA ALA A 62 -2.105 10.872 22.371 1.00 0.00 C ATOM 870 C ALA A 62 -3.068 11.337 23.462 1.00 0.00 C ATOM 871 O ALA A 62 -3.886 10.580 23.946 1.00 0.00 O ATOM 872 CB ALA A 62 -2.364 9.399 22.060 1.00 0.00 C ATOM 0 H ALA A 62 -0.417 10.403 23.588 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.259 11.466 21.470 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.390 9.275 21.713 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.676 9.065 21.284 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.212 8.805 22.961 1.00 0.00 H new ATOM 878 N ALA A 63 -2.971 12.576 23.851 1.00 0.00 N ATOM 879 CA ALA A 63 -3.874 13.104 24.914 1.00 0.00 C ATOM 880 C ALA A 63 -5.294 12.580 24.688 1.00 0.00 C ATOM 881 O ALA A 63 -5.888 12.795 23.650 1.00 0.00 O ATOM 882 CB ALA A 63 -3.882 14.633 24.861 1.00 0.00 C ATOM 0 H ALA A 63 -2.303 13.250 23.478 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.517 12.774 25.890 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.542 15.021 25.637 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.871 15.008 25.023 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.239 14.961 23.885 1.00 0.00 H new ATOM 888 N ASN A 64 -5.842 11.890 25.652 1.00 0.00 N ATOM 889 CA ASN A 64 -7.221 11.349 25.492 1.00 0.00 C ATOM 890 C ASN A 64 -8.191 12.497 25.202 1.00 0.00 C ATOM 891 O ASN A 64 -7.799 13.555 24.753 1.00 0.00 O ATOM 892 CB ASN A 64 -7.642 10.639 26.780 1.00 0.00 C ATOM 893 CG ASN A 64 -6.460 9.840 27.333 1.00 0.00 C ATOM 894 OD1 ASN A 64 -6.056 8.852 26.753 1.00 0.00 O ATOM 895 ND2 ASN A 64 -5.886 10.229 28.438 1.00 0.00 N ATOM 0 H ASN A 64 -5.394 11.678 26.543 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.239 10.641 24.663 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.978 11.369 27.517 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.483 9.975 26.583 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.097 9.704 28.815 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.226 11.059 28.924 1.00 0.00 H new ATOM 902 N GLU A 65 -9.455 12.295 25.456 1.00 0.00 N ATOM 903 CA GLU A 65 -10.451 13.373 25.196 1.00 0.00 C ATOM 904 C GLU A 65 -10.496 14.327 26.391 1.00 0.00 C ATOM 905 O GLU A 65 -11.100 15.379 26.334 1.00 0.00 O ATOM 906 CB GLU A 65 -11.833 12.750 24.989 1.00 0.00 C ATOM 907 CG GLU A 65 -12.809 13.822 24.502 1.00 0.00 C ATOM 908 CD GLU A 65 -12.796 13.868 22.973 1.00 0.00 C ATOM 909 OE1 GLU A 65 -12.224 12.970 22.378 1.00 0.00 O ATOM 910 OE2 GLU A 65 -13.359 14.800 22.423 1.00 0.00 O ATOM 0 H GLU A 65 -9.841 11.429 25.833 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.163 13.925 24.302 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.773 11.940 24.262 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.191 12.315 25.922 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.815 13.603 24.861 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.530 14.794 24.908 1.00 0.00 H new ATOM 917 N ARG A 66 -9.862 13.967 27.473 1.00 0.00 N ATOM 918 CA ARG A 66 -9.870 14.854 28.671 1.00 0.00 C ATOM 919 C ARG A 66 -9.288 16.220 28.298 1.00 0.00 C ATOM 920 O ARG A 66 -9.904 17.246 28.507 1.00 0.00 O ATOM 921 CB ARG A 66 -9.024 14.224 29.778 1.00 0.00 C ATOM 922 CG ARG A 66 -9.932 13.463 30.746 1.00 0.00 C ATOM 923 CD ARG A 66 -10.285 14.363 31.931 1.00 0.00 C ATOM 924 NE ARG A 66 -9.210 14.274 32.959 1.00 0.00 N ATOM 925 CZ ARG A 66 -9.140 15.163 33.914 1.00 0.00 C ATOM 926 NH1 ARG A 66 -10.011 16.135 33.972 1.00 0.00 N ATOM 927 NH2 ARG A 66 -8.197 15.081 34.812 1.00 0.00 N ATOM 0 H ARG A 66 -9.339 13.098 27.580 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.894 14.979 29.024 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.287 13.547 29.346 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.472 14.997 30.313 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.840 13.145 30.235 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.431 12.561 31.098 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.399 15.394 31.597 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.240 14.059 32.360 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.527 13.517 32.917 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.748 16.201 33.270 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.954 16.827 34.719 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.515 14.323 34.768 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.141 15.774 35.558 1.00 0.00 H new ATOM 941 N GLU A 67 -8.105 16.240 27.748 1.00 0.00 N ATOM 942 CA GLU A 67 -7.484 17.539 27.363 1.00 0.00 C ATOM 943 C GLU A 67 -8.273 18.161 26.209 1.00 0.00 C ATOM 944 O GLU A 67 -8.042 19.290 25.823 1.00 0.00 O ATOM 945 CB GLU A 67 -6.038 17.300 26.922 1.00 0.00 C ATOM 946 CG GLU A 67 -5.101 17.486 28.117 1.00 0.00 C ATOM 947 CD GLU A 67 -4.635 16.118 28.618 1.00 0.00 C ATOM 948 OE1 GLU A 67 -5.184 15.126 28.169 1.00 0.00 O ATOM 949 OE2 GLU A 67 -3.736 16.086 29.442 1.00 0.00 O ATOM 0 H GLU A 67 -7.542 15.413 27.549 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.498 18.216 28.217 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.932 16.294 26.517 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.770 17.994 26.125 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.242 18.091 27.828 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.614 18.022 28.915 1.00 0.00 H new ATOM 956 N ILE A 68 -9.203 17.434 25.653 1.00 0.00 N ATOM 957 CA ILE A 68 -10.006 17.982 24.524 1.00 0.00 C ATOM 958 C ILE A 68 -11.229 18.716 25.080 1.00 0.00 C ATOM 959 O ILE A 68 -11.676 19.702 24.528 1.00 0.00 O ATOM 960 CB ILE A 68 -10.461 16.833 23.621 1.00 0.00 C ATOM 961 CG1 ILE A 68 -9.273 16.330 22.798 1.00 0.00 C ATOM 962 CG2 ILE A 68 -11.560 17.324 22.675 1.00 0.00 C ATOM 963 CD1 ILE A 68 -8.138 15.915 23.736 1.00 0.00 C ATOM 0 H ILE A 68 -9.442 16.483 25.933 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.399 18.678 23.945 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.849 16.023 24.238 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.577 15.484 22.182 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.930 17.112 22.120 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.881 16.503 22.034 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.408 17.683 23.258 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.174 18.136 22.059 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.293 15.557 23.148 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.828 16.772 24.333 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.484 15.119 24.396 1.00 0.00 H new ATOM 975 N GLY A 69 -11.773 18.241 26.167 1.00 0.00 N ATOM 976 CA GLY A 69 -12.968 18.910 26.757 1.00 0.00 C ATOM 977 C GLY A 69 -12.767 20.426 26.740 1.00 0.00 C ATOM 978 O GLY A 69 -13.539 21.157 26.152 1.00 0.00 O ATOM 0 H GLY A 69 -11.442 17.419 26.672 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.862 18.645 26.192 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.123 18.565 27.779 1.00 0.00 H new ATOM 982 N MET A 70 -11.735 20.905 27.379 1.00 0.00 N ATOM 983 CA MET A 70 -11.487 22.374 27.396 1.00 0.00 C ATOM 984 C MET A 70 -11.108 22.839 25.989 1.00 0.00 C ATOM 985 O MET A 70 -11.320 23.978 25.622 1.00 0.00 O ATOM 986 CB MET A 70 -10.343 22.687 28.363 1.00 0.00 C ATOM 987 CG MET A 70 -10.918 23.180 29.692 1.00 0.00 C ATOM 988 SD MET A 70 -11.579 21.775 30.621 1.00 0.00 S ATOM 989 CE MET A 70 -13.316 21.999 30.165 1.00 0.00 C ATOM 0 H MET A 70 -11.054 20.343 27.889 1.00 0.00 H new ATOM 0 HA MET A 70 -12.388 22.893 27.722 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.736 21.796 28.525 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.688 23.445 27.934 1.00 0.00 H new ATOM 0 HG2 MET A 70 -10.143 23.681 30.272 1.00 0.00 H new ATOM 0 HG3 MET A 70 -11.705 23.912 29.511 1.00 0.00 H new ATOM 0 HE1 MET A 70 -13.943 21.875 31.048 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.459 22.999 29.756 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.594 21.258 29.416 1.00 0.00 H new ATOM 999 N LEU A 71 -10.551 21.964 25.196 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.162 22.355 23.812 1.00 0.00 C ATOM 1001 C LEU A 71 -11.325 22.073 22.858 1.00 0.00 C ATOM 1002 O LEU A 71 -11.197 22.192 21.656 1.00 0.00 O ATOM 1003 CB LEU A 71 -8.939 21.544 23.378 1.00 0.00 C ATOM 1004 CG LEU A 71 -8.321 22.180 22.132 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -7.778 23.567 22.482 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -7.177 21.298 21.626 1.00 0.00 C ATOM 0 H LEU A 71 -10.349 20.996 25.447 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.921 23.418 23.788 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.206 21.512 24.184 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.228 20.514 23.168 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.081 22.273 21.356 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.338 24.020 21.594 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.592 24.195 22.844 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.017 23.475 23.257 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.735 21.749 20.738 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.418 21.206 22.403 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.563 20.309 21.377 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.461 21.702 23.384 1.00 0.00 N ATOM 1019 CA GLU A 72 -13.630 21.414 22.508 1.00 0.00 C ATOM 1020 C GLU A 72 -14.560 22.629 22.486 1.00 0.00 C ATOM 1021 O GLU A 72 -15.316 22.827 21.556 1.00 0.00 O ATOM 1022 CB GLU A 72 -14.387 20.200 23.051 1.00 0.00 C ATOM 1023 CG GLU A 72 -15.740 20.082 22.346 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.838 20.648 23.248 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -16.541 21.551 24.013 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -17.956 20.169 23.160 1.00 0.00 O ATOM 0 H GLU A 72 -12.629 21.586 24.383 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.284 21.203 21.496 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.803 19.294 22.893 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.533 20.301 24.126 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.717 20.623 21.400 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.950 19.038 22.111 1.00 0.00 H new ATOM 1033 N CYS A 73 -14.509 23.444 23.504 1.00 0.00 N ATOM 1034 CA CYS A 73 -15.390 24.646 23.540 1.00 0.00 C ATOM 1035 C CYS A 73 -14.670 25.825 22.882 1.00 0.00 C ATOM 1036 O CYS A 73 -14.862 26.966 23.251 1.00 0.00 O ATOM 1037 CB CYS A 73 -15.717 24.995 24.993 1.00 0.00 C ATOM 1038 SG CYS A 73 -17.478 24.713 25.300 1.00 0.00 S ATOM 0 H CYS A 73 -13.896 23.330 24.311 1.00 0.00 H new ATOM 0 HA CYS A 73 -16.313 24.436 23.000 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -15.117 24.385 25.668 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -15.464 26.036 25.194 1.00 0.00 H new ATOM 0 HG CYS A 73 -17.756 25.007 26.535 1.00 0.00 H new ATOM 1044 N VAL A 74 -13.842 25.558 21.909 1.00 0.00 N ATOM 1045 CA VAL A 74 -13.110 26.663 21.228 1.00 0.00 C ATOM 1046 C VAL A 74 -14.065 27.398 20.281 1.00 0.00 C ATOM 1047 O VAL A 74 -15.173 26.960 20.040 1.00 0.00 O ATOM 1048 CB VAL A 74 -11.941 26.083 20.429 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -11.179 25.077 21.293 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -12.479 25.378 19.184 1.00 0.00 C ATOM 0 H VAL A 74 -13.641 24.622 21.556 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.728 27.362 21.972 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.269 26.888 20.132 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.347 24.665 20.723 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.797 25.577 22.183 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.850 24.271 21.590 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.648 24.964 18.613 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.151 24.573 19.483 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -13.022 26.094 18.567 1.00 0.00 H new ATOM 1060 N THR A 75 -13.646 28.510 19.740 1.00 0.00 N ATOM 1061 CA THR A 75 -14.532 29.264 18.806 1.00 0.00 C ATOM 1062 C THR A 75 -14.560 28.555 17.452 1.00 0.00 C ATOM 1063 O THR A 75 -15.431 28.787 16.637 1.00 0.00 O ATOM 1064 CB THR A 75 -13.994 30.686 18.616 1.00 0.00 C ATOM 1065 OG1 THR A 75 -14.215 31.439 19.799 1.00 0.00 O ATOM 1066 CG2 THR A 75 -14.716 31.356 17.446 1.00 0.00 C ATOM 0 H THR A 75 -12.730 28.929 19.904 1.00 0.00 H new ATOM 0 HA THR A 75 -15.538 29.309 19.223 1.00 0.00 H new ATOM 0 HB THR A 75 -12.925 30.642 18.406 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.890 30.934 20.574 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.332 32.367 17.313 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.546 30.780 16.536 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.785 31.398 17.654 1.00 0.00 H new ATOM 1074 N ALA A 76 -13.609 27.700 17.201 1.00 0.00 N ATOM 1075 CA ALA A 76 -13.578 26.987 15.895 1.00 0.00 C ATOM 1076 C ALA A 76 -13.970 25.521 16.089 1.00 0.00 C ATOM 1077 O ALA A 76 -14.560 25.146 17.082 1.00 0.00 O ATOM 1078 CB ALA A 76 -12.166 27.062 15.310 1.00 0.00 C ATOM 0 H ALA A 76 -12.853 27.464 17.843 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.286 27.459 15.213 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.140 26.540 14.353 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.888 28.106 15.162 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.462 26.593 15.998 1.00 0.00 H new ATOM 1084 N GLU A 77 -13.635 24.692 15.140 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.963 23.251 15.234 1.00 0.00 C ATOM 1086 C GLU A 77 -12.667 22.481 15.403 1.00 0.00 C ATOM 1087 O GLU A 77 -11.637 22.910 14.937 1.00 0.00 O ATOM 1088 CB GLU A 77 -14.634 22.792 13.946 1.00 0.00 C ATOM 1089 CG GLU A 77 -14.207 23.684 12.776 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.997 24.993 12.816 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -16.146 24.956 13.226 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -14.441 26.010 12.436 1.00 0.00 O ATOM 0 H GLU A 77 -13.139 24.962 14.290 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.633 23.078 16.076 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.367 21.756 13.738 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.717 22.825 14.061 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.138 23.890 12.834 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.382 23.170 11.831 1.00 0.00 H new ATOM 1099 N LEU A 78 -12.693 21.349 16.041 1.00 0.00 N ATOM 1100 CA LEU A 78 -11.421 20.599 16.198 1.00 0.00 C ATOM 1101 C LEU A 78 -11.367 19.409 15.244 1.00 0.00 C ATOM 1102 O LEU A 78 -12.312 19.095 14.548 1.00 0.00 O ATOM 1103 CB LEU A 78 -11.233 20.126 17.640 1.00 0.00 C ATOM 1104 CG LEU A 78 -9.729 20.028 17.892 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -9.328 20.808 19.140 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -9.319 18.563 18.046 1.00 0.00 C ATOM 0 H LEU A 78 -13.520 20.917 16.453 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.607 21.280 15.951 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.695 20.825 18.337 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.712 19.159 17.793 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.214 20.463 17.035 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.253 20.720 19.294 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.592 21.858 19.013 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.853 20.404 20.006 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.246 18.503 18.225 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.853 18.122 18.888 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.566 18.018 17.135 1.00 0.00 H new ATOM 1118 N LYS A 79 -10.235 18.769 15.204 1.00 0.00 N ATOM 1119 CA LYS A 79 -10.025 17.611 14.304 1.00 0.00 C ATOM 1120 C LYS A 79 -8.867 16.781 14.863 1.00 0.00 C ATOM 1121 O LYS A 79 -8.180 17.214 15.767 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.666 18.107 12.891 1.00 0.00 C ATOM 1123 CG LYS A 79 -9.295 19.594 12.916 1.00 0.00 C ATOM 1124 CD LYS A 79 -9.267 20.132 11.485 1.00 0.00 C ATOM 1125 CE LYS A 79 -10.347 21.204 11.320 1.00 0.00 C ATOM 1126 NZ LYS A 79 -11.027 21.025 10.006 1.00 0.00 N ATOM 0 H LYS A 79 -9.425 19.010 15.775 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.933 17.010 14.245 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.832 17.526 12.497 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.510 17.949 12.220 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.018 20.151 13.512 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.321 19.730 13.387 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.286 20.552 11.262 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.434 19.320 10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.073 21.132 12.130 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.901 22.197 11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.761 21.753 9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.330 21.114 9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.465 20.083 9.967 1.00 0.00 H new ATOM 1140 N PRO A 80 -8.679 15.620 14.305 1.00 0.00 N ATOM 1141 CA PRO A 80 -7.599 14.711 14.725 1.00 0.00 C ATOM 1142 C PRO A 80 -6.238 15.397 14.562 1.00 0.00 C ATOM 1143 O PRO A 80 -5.229 14.917 15.040 1.00 0.00 O ATOM 1144 CB PRO A 80 -7.713 13.507 13.778 1.00 0.00 C ATOM 1145 CG PRO A 80 -8.891 13.783 12.806 1.00 0.00 C ATOM 1146 CD PRO A 80 -9.526 15.121 13.214 1.00 0.00 C ATOM 0 HA PRO A 80 -7.682 14.419 15.772 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.785 13.366 13.224 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.889 12.591 14.343 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.536 13.826 11.776 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.626 12.979 12.857 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -9.547 15.820 12.378 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -10.556 14.986 13.543 1.00 0.00 H new ATOM 1154 N ASN A 81 -6.200 16.508 13.876 1.00 0.00 N ATOM 1155 CA ASN A 81 -4.900 17.214 13.667 1.00 0.00 C ATOM 1156 C ASN A 81 -4.722 18.345 14.690 1.00 0.00 C ATOM 1157 O ASN A 81 -3.620 18.782 14.955 1.00 0.00 O ATOM 1158 CB ASN A 81 -4.877 17.804 12.256 1.00 0.00 C ATOM 1159 CG ASN A 81 -3.700 17.215 11.483 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -3.799 16.963 10.298 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -2.583 16.983 12.109 1.00 0.00 N ATOM 0 H ASN A 81 -7.011 16.958 13.451 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.087 16.499 13.795 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.812 17.583 11.742 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.789 18.889 12.304 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.788 16.589 11.605 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.502 17.195 13.103 1.00 0.00 H new ATOM 1168 N SER A 82 -5.791 18.831 15.256 1.00 0.00 N ATOM 1169 CA SER A 82 -5.678 19.944 16.247 1.00 0.00 C ATOM 1170 C SER A 82 -5.158 19.423 17.585 1.00 0.00 C ATOM 1171 O SER A 82 -5.334 18.271 17.927 1.00 0.00 O ATOM 1172 CB SER A 82 -7.044 20.565 16.439 1.00 0.00 C ATOM 1173 OG SER A 82 -7.870 20.177 15.350 1.00 0.00 O ATOM 0 H SER A 82 -6.741 18.507 15.076 1.00 0.00 H new ATOM 0 HA SER A 82 -4.975 20.688 15.872 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.481 20.237 17.382 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.964 21.651 16.486 1.00 0.00 H new ATOM 0 HG SER A 82 -7.882 20.890 14.678 1.00 0.00 H new ATOM 1179 N ARG A 83 -4.514 20.269 18.345 1.00 0.00 N ATOM 1180 CA ARG A 83 -3.977 19.829 19.661 1.00 0.00 C ATOM 1181 C ARG A 83 -3.699 21.056 20.531 1.00 0.00 C ATOM 1182 O ARG A 83 -4.226 22.126 20.302 1.00 0.00 O ATOM 1183 CB ARG A 83 -2.676 19.053 19.446 1.00 0.00 C ATOM 1184 CG ARG A 83 -2.840 17.617 19.949 1.00 0.00 C ATOM 1185 CD ARG A 83 -3.374 17.629 21.382 1.00 0.00 C ATOM 1186 NE ARG A 83 -2.282 17.246 22.332 1.00 0.00 N ATOM 1187 CZ ARG A 83 -1.541 16.186 22.126 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -1.845 15.327 21.189 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -0.519 15.954 22.905 1.00 0.00 N ATOM 0 H ARG A 83 -4.338 21.246 18.109 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.706 19.188 20.156 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.414 19.050 18.388 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.858 19.542 19.975 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.525 17.071 19.300 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.883 17.097 19.912 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.754 18.620 21.630 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.209 16.935 21.475 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.112 17.822 23.156 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.669 15.478 20.607 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.258 14.506 21.040 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.303 16.596 23.667 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.063 15.131 22.751 1.00 0.00 H new ATOM 1203 N LEU A 84 -2.866 20.909 21.523 1.00 0.00 N ATOM 1204 CA LEU A 84 -2.538 22.063 22.403 1.00 0.00 C ATOM 1205 C LEU A 84 -1.094 22.493 22.132 1.00 0.00 C ATOM 1206 O LEU A 84 -0.190 22.155 22.866 1.00 0.00 O ATOM 1207 CB LEU A 84 -2.682 21.641 23.867 1.00 0.00 C ATOM 1208 CG LEU A 84 -4.154 21.365 24.182 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.002 22.571 23.777 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -4.618 20.132 23.402 1.00 0.00 C ATOM 0 H LEU A 84 -2.397 20.036 21.762 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.215 22.893 22.200 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.086 20.749 24.059 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.301 22.426 24.521 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.268 21.186 25.251 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.050 22.371 24.003 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.673 23.450 24.331 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.889 22.753 22.708 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.666 19.934 23.625 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.502 20.313 22.333 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.016 19.271 23.692 1.00 0.00 H new ATOM 1222 N CYS A 85 -0.873 23.225 21.073 1.00 0.00 N ATOM 1223 CA CYS A 85 0.513 23.668 20.731 1.00 0.00 C ATOM 1224 C CYS A 85 1.239 24.195 21.973 1.00 0.00 C ATOM 1225 O CYS A 85 2.453 24.241 22.013 1.00 0.00 O ATOM 1226 CB CYS A 85 0.446 24.784 19.686 1.00 0.00 C ATOM 1227 SG CYS A 85 2.117 25.385 19.339 1.00 0.00 S ATOM 0 H CYS A 85 -1.596 23.538 20.425 1.00 0.00 H new ATOM 0 HA CYS A 85 1.061 22.812 20.338 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.016 24.413 18.771 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -0.178 25.601 20.050 1.00 0.00 H new ATOM 0 HG CYS A 85 2.896 25.106 20.342 1.00 0.00 H new ATOM 1233 N CYS A 86 0.520 24.614 22.976 1.00 0.00 N ATOM 1234 CA CYS A 86 1.195 25.157 24.189 1.00 0.00 C ATOM 1235 C CYS A 86 1.788 24.025 25.039 1.00 0.00 C ATOM 1236 O CYS A 86 2.869 24.152 25.578 1.00 0.00 O ATOM 1237 CB CYS A 86 0.189 25.938 25.031 1.00 0.00 C ATOM 1238 SG CYS A 86 -1.054 24.803 25.691 1.00 0.00 S ATOM 0 H CYS A 86 -0.499 24.605 23.010 1.00 0.00 H new ATOM 0 HA CYS A 86 2.002 25.814 23.865 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.700 26.449 25.847 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.290 26.706 24.424 1.00 0.00 H new ATOM 1243 N GLN A 87 1.088 22.933 25.191 1.00 0.00 N ATOM 1244 CA GLN A 87 1.622 21.825 26.037 1.00 0.00 C ATOM 1245 C GLN A 87 2.328 20.767 25.183 1.00 0.00 C ATOM 1246 O GLN A 87 2.652 19.698 25.661 1.00 0.00 O ATOM 1247 CB GLN A 87 0.475 21.168 26.805 1.00 0.00 C ATOM 1248 CG GLN A 87 -0.752 21.055 25.901 1.00 0.00 C ATOM 1249 CD GLN A 87 -1.460 19.725 26.166 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -2.633 19.700 26.483 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -0.793 18.610 26.048 1.00 0.00 N ATOM 0 H GLN A 87 0.175 22.760 24.769 1.00 0.00 H new ATOM 0 HA GLN A 87 2.346 22.248 26.733 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.776 20.179 27.151 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.233 21.756 27.690 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.433 21.885 26.089 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.453 21.118 24.855 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.191 18.630 25.782 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.256 17.718 26.222 1.00 0.00 H new ATOM 1260 N ILE A 88 2.585 21.043 23.935 1.00 0.00 N ATOM 1261 CA ILE A 88 3.287 20.027 23.095 1.00 0.00 C ATOM 1262 C ILE A 88 4.780 20.080 23.404 1.00 0.00 C ATOM 1263 O ILE A 88 5.279 21.053 23.933 1.00 0.00 O ATOM 1264 CB ILE A 88 3.076 20.317 21.609 1.00 0.00 C ATOM 1265 CG1 ILE A 88 1.666 20.858 21.384 1.00 0.00 C ATOM 1266 CG2 ILE A 88 3.253 19.026 20.808 1.00 0.00 C ATOM 1267 CD1 ILE A 88 0.647 19.894 21.993 1.00 0.00 C ATOM 0 H ILE A 88 2.344 21.915 23.463 1.00 0.00 H new ATOM 0 HA ILE A 88 2.883 19.040 23.321 1.00 0.00 H new ATOM 0 HB ILE A 88 3.806 21.057 21.281 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.566 21.844 21.838 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.477 20.978 20.317 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.103 19.232 19.748 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.259 18.637 20.963 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.523 18.288 21.141 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.360 20.280 21.833 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.741 18.917 21.518 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.832 19.797 23.063 1.00 0.00 H new ATOM 1279 N ILE A 89 5.498 19.042 23.087 1.00 0.00 N ATOM 1280 CA ILE A 89 6.949 19.034 23.371 1.00 0.00 C ATOM 1281 C ILE A 89 7.729 18.775 22.081 1.00 0.00 C ATOM 1282 O ILE A 89 7.224 18.193 21.142 1.00 0.00 O ATOM 1283 CB ILE A 89 7.247 17.930 24.377 1.00 0.00 C ATOM 1284 CG1 ILE A 89 6.559 18.247 25.708 1.00 0.00 C ATOM 1285 CG2 ILE A 89 8.750 17.850 24.586 1.00 0.00 C ATOM 1286 CD1 ILE A 89 6.820 19.706 26.086 1.00 0.00 C ATOM 0 H ILE A 89 5.137 18.198 22.642 1.00 0.00 H new ATOM 0 HA ILE A 89 7.249 20.000 23.778 1.00 0.00 H new ATOM 0 HB ILE A 89 6.874 16.977 24.002 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.487 18.068 25.626 1.00 0.00 H new ATOM 0 HG13 ILE A 89 6.934 17.586 26.489 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.976 17.062 25.305 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.238 17.626 23.637 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.116 18.804 24.966 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.330 19.930 27.033 1.00 0.00 H new ATOM 0 HD12 ILE A 89 7.893 19.870 26.185 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.424 20.360 25.309 1.00 0.00 H new ATOM 1298 N MET A 90 8.960 19.202 22.032 1.00 0.00 N ATOM 1299 CA MET A 90 9.780 18.982 20.809 1.00 0.00 C ATOM 1300 C MET A 90 10.962 18.076 21.145 1.00 0.00 C ATOM 1301 O MET A 90 12.035 18.534 21.483 1.00 0.00 O ATOM 1302 CB MET A 90 10.304 20.320 20.296 1.00 0.00 C ATOM 1303 CG MET A 90 10.344 20.298 18.769 1.00 0.00 C ATOM 1304 SD MET A 90 11.524 19.045 18.212 1.00 0.00 S ATOM 1305 CE MET A 90 10.713 18.658 16.641 1.00 0.00 C ATOM 0 H MET A 90 9.434 19.695 22.788 1.00 0.00 H new ATOM 0 HA MET A 90 9.164 18.513 20.042 1.00 0.00 H new ATOM 0 HB2 MET A 90 9.663 21.131 20.642 1.00 0.00 H new ATOM 0 HB3 MET A 90 11.301 20.509 20.694 1.00 0.00 H new ATOM 0 HG2 MET A 90 9.352 20.080 18.372 1.00 0.00 H new ATOM 0 HG3 MET A 90 10.632 21.278 18.388 1.00 0.00 H new ATOM 0 HE1 MET A 90 10.532 17.585 16.580 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.764 19.190 16.581 1.00 0.00 H new ATOM 0 HE3 MET A 90 11.354 18.966 15.815 1.00 0.00 H new ATOM 1315 N THR A 91 10.772 16.795 21.052 1.00 0.00 N ATOM 1316 CA THR A 91 11.880 15.850 21.362 1.00 0.00 C ATOM 1317 C THR A 91 12.726 15.631 20.104 1.00 0.00 C ATOM 1318 O THR A 91 12.308 15.964 19.013 1.00 0.00 O ATOM 1319 CB THR A 91 11.296 14.513 21.824 1.00 0.00 C ATOM 1320 OG1 THR A 91 9.942 14.419 21.404 1.00 0.00 O ATOM 1321 CG2 THR A 91 11.366 14.423 23.350 1.00 0.00 C ATOM 0 H THR A 91 9.894 16.357 20.774 1.00 0.00 H new ATOM 0 HA THR A 91 12.504 16.265 22.153 1.00 0.00 H new ATOM 0 HB THR A 91 11.870 13.696 21.388 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.567 13.562 21.698 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.950 13.470 23.678 1.00 0.00 H new ATOM 0 HG22 THR A 91 12.405 14.495 23.671 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.793 15.240 23.789 1.00 0.00 H new ATOM 1329 N PRO A 92 13.896 15.074 20.295 1.00 0.00 N ATOM 1330 CA PRO A 92 14.824 14.798 19.185 1.00 0.00 C ATOM 1331 C PRO A 92 14.176 13.843 18.178 1.00 0.00 C ATOM 1332 O PRO A 92 14.661 13.662 17.079 1.00 0.00 O ATOM 1333 CB PRO A 92 16.044 14.141 19.846 1.00 0.00 C ATOM 1334 CG PRO A 92 15.773 14.072 21.372 1.00 0.00 C ATOM 1335 CD PRO A 92 14.384 14.676 21.628 1.00 0.00 C ATOM 0 HA PRO A 92 15.094 15.700 18.635 1.00 0.00 H new ATOM 0 HB2 PRO A 92 16.207 13.142 19.441 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.946 14.718 19.643 1.00 0.00 H new ATOM 0 HG2 PRO A 92 15.811 13.040 21.721 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.537 14.623 21.921 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.717 13.951 22.093 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.442 15.532 22.300 1.00 0.00 H new ATOM 1343 N GLU A 93 13.083 13.231 18.544 1.00 0.00 N ATOM 1344 CA GLU A 93 12.406 12.290 17.608 1.00 0.00 C ATOM 1345 C GLU A 93 11.731 13.082 16.485 1.00 0.00 C ATOM 1346 O GLU A 93 11.917 12.800 15.318 1.00 0.00 O ATOM 1347 CB GLU A 93 11.350 11.486 18.370 1.00 0.00 C ATOM 1348 CG GLU A 93 11.946 10.147 18.810 1.00 0.00 C ATOM 1349 CD GLU A 93 10.877 9.057 18.720 1.00 0.00 C ATOM 1350 OE1 GLU A 93 10.144 9.053 17.745 1.00 0.00 O ATOM 1351 OE2 GLU A 93 10.809 8.245 19.627 1.00 0.00 O ATOM 0 H GLU A 93 12.630 13.342 19.451 1.00 0.00 H new ATOM 0 HA GLU A 93 13.143 11.611 17.180 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.008 12.047 19.240 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.479 11.318 17.737 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.796 9.890 18.178 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.319 10.221 19.831 1.00 0.00 H new ATOM 1358 N LEU A 94 10.949 14.069 16.827 1.00 0.00 N ATOM 1359 CA LEU A 94 10.263 14.873 15.776 1.00 0.00 C ATOM 1360 C LEU A 94 11.280 15.779 15.080 1.00 0.00 C ATOM 1361 O LEU A 94 12.174 16.318 15.701 1.00 0.00 O ATOM 1362 CB LEU A 94 9.174 15.733 16.421 1.00 0.00 C ATOM 1363 CG LEU A 94 7.936 14.874 16.681 1.00 0.00 C ATOM 1364 CD1 LEU A 94 7.880 14.492 18.161 1.00 0.00 C ATOM 1365 CD2 LEU A 94 6.680 15.666 16.311 1.00 0.00 C ATOM 0 H LEU A 94 10.756 14.353 17.787 1.00 0.00 H new ATOM 0 HA LEU A 94 9.812 14.203 15.044 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.538 16.159 17.356 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.920 16.568 15.768 1.00 0.00 H new ATOM 0 HG LEU A 94 7.988 13.969 16.075 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.997 13.880 18.346 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.775 13.928 18.425 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.828 15.396 18.768 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.797 15.055 16.496 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.629 16.571 16.917 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.719 15.938 15.256 1.00 0.00 H new ATOM 1377 N ASP A 95 11.153 15.951 13.792 1.00 0.00 N ATOM 1378 CA ASP A 95 12.113 16.824 13.059 1.00 0.00 C ATOM 1379 C ASP A 95 11.378 17.588 11.955 1.00 0.00 C ATOM 1380 O ASP A 95 10.816 17.003 11.050 1.00 0.00 O ATOM 1381 CB ASP A 95 13.213 15.961 12.437 1.00 0.00 C ATOM 1382 CG ASP A 95 12.601 15.037 11.382 1.00 0.00 C ATOM 1383 OD1 ASP A 95 11.763 14.229 11.745 1.00 0.00 O ATOM 1384 OD2 ASP A 95 12.982 15.153 10.229 1.00 0.00 O ATOM 0 H ASP A 95 10.427 15.525 13.216 1.00 0.00 H new ATOM 0 HA ASP A 95 12.557 17.536 13.755 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.974 16.595 11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.708 15.372 13.209 1.00 0.00 H new ATOM 1389 N GLY A 96 11.379 18.893 12.021 1.00 0.00 N ATOM 1390 CA GLY A 96 10.685 19.695 10.974 1.00 0.00 C ATOM 1391 C GLY A 96 9.171 19.553 11.136 1.00 0.00 C ATOM 1392 O GLY A 96 8.456 19.328 10.180 1.00 0.00 O ATOM 0 H GLY A 96 11.831 19.438 12.756 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.972 20.743 11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.988 19.357 9.983 1.00 0.00 H new ATOM 1396 N ILE A 97 8.674 19.689 12.335 1.00 0.00 N ATOM 1397 CA ILE A 97 7.201 19.562 12.542 1.00 0.00 C ATOM 1398 C ILE A 97 6.519 20.829 12.016 1.00 0.00 C ATOM 1399 O ILE A 97 7.127 21.877 11.928 1.00 0.00 O ATOM 1400 CB ILE A 97 6.883 19.346 14.043 1.00 0.00 C ATOM 1401 CG1 ILE A 97 6.467 20.663 14.713 1.00 0.00 C ATOM 1402 CG2 ILE A 97 8.115 18.797 14.766 1.00 0.00 C ATOM 1403 CD1 ILE A 97 5.007 20.970 14.378 1.00 0.00 C ATOM 0 H ILE A 97 9.219 19.881 13.176 1.00 0.00 H new ATOM 0 HA ILE A 97 6.824 18.697 11.997 1.00 0.00 H new ATOM 0 HB ILE A 97 6.060 18.635 14.110 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.595 20.590 15.793 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.108 21.475 14.370 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.882 18.648 15.820 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.404 17.845 14.321 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.938 19.506 14.673 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.713 21.905 14.854 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.893 21.062 13.298 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.372 20.162 14.743 1.00 0.00 H new ATOM 1415 N VAL A 98 5.266 20.746 11.661 1.00 0.00 N ATOM 1416 CA VAL A 98 4.575 21.955 11.142 1.00 0.00 C ATOM 1417 C VAL A 98 3.321 22.233 11.968 1.00 0.00 C ATOM 1418 O VAL A 98 2.320 21.561 11.836 1.00 0.00 O ATOM 1419 CB VAL A 98 4.174 21.726 9.687 1.00 0.00 C ATOM 1420 CG1 VAL A 98 3.846 23.070 9.035 1.00 0.00 C ATOM 1421 CG2 VAL A 98 5.331 21.061 8.937 1.00 0.00 C ATOM 0 H VAL A 98 4.697 19.901 11.708 1.00 0.00 H new ATOM 0 HA VAL A 98 5.250 22.808 11.211 1.00 0.00 H new ATOM 0 HB VAL A 98 3.298 21.078 9.647 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.559 22.910 7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.022 23.543 9.570 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.722 23.717 9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.045 20.897 7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.208 21.707 8.974 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.565 20.104 9.404 1.00 0.00 H new ATOM 1431 N VAL A 99 3.357 23.234 12.799 1.00 0.00 N ATOM 1432 CA VAL A 99 2.152 23.563 13.606 1.00 0.00 C ATOM 1433 C VAL A 99 1.460 24.761 12.963 1.00 0.00 C ATOM 1434 O VAL A 99 2.054 25.494 12.198 1.00 0.00 O ATOM 1435 CB VAL A 99 2.528 23.897 15.059 1.00 0.00 C ATOM 1436 CG1 VAL A 99 2.164 22.717 15.960 1.00 0.00 C ATOM 1437 CG2 VAL A 99 4.029 24.174 15.177 1.00 0.00 C ATOM 0 H VAL A 99 4.165 23.837 12.954 1.00 0.00 H new ATOM 0 HA VAL A 99 1.487 22.699 13.627 1.00 0.00 H new ATOM 0 HB VAL A 99 1.979 24.788 15.366 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.430 22.951 16.991 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.093 22.527 15.895 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.710 21.831 15.637 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.275 24.408 16.213 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.588 23.293 14.862 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.294 25.018 14.541 1.00 0.00 H new ATOM 1447 N ASP A 100 0.209 24.961 13.251 1.00 0.00 N ATOM 1448 CA ASP A 100 -0.517 26.106 12.640 1.00 0.00 C ATOM 1449 C ASP A 100 -1.415 26.749 13.690 1.00 0.00 C ATOM 1450 O ASP A 100 -1.615 26.209 14.761 1.00 0.00 O ATOM 1451 CB ASP A 100 -1.381 25.600 11.482 1.00 0.00 C ATOM 1452 CG ASP A 100 -0.643 24.486 10.737 1.00 0.00 C ATOM 1453 OD1 ASP A 100 0.558 24.609 10.564 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -1.292 23.528 10.352 1.00 0.00 O ATOM 0 H ASP A 100 -0.344 24.382 13.883 1.00 0.00 H new ATOM 0 HA ASP A 100 0.201 26.838 12.270 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.333 25.228 11.861 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -1.607 26.419 10.799 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.977 27.885 13.394 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.878 28.526 14.391 1.00 0.00 C ATOM 1461 C VAL A 101 -4.327 28.338 13.929 1.00 0.00 C ATOM 1462 O VAL A 101 -4.583 28.096 12.767 1.00 0.00 O ATOM 1463 CB VAL A 101 -2.515 30.023 14.579 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -3.682 30.945 14.209 1.00 0.00 C ATOM 1465 CG2 VAL A 101 -2.142 30.261 16.044 1.00 0.00 C ATOM 0 H VAL A 101 -1.855 28.393 12.518 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.756 28.054 15.366 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.680 30.254 13.918 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.386 31.984 14.355 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.953 30.788 13.165 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.539 30.720 14.844 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.885 31.310 16.188 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.988 30.004 16.681 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.287 29.638 16.308 1.00 0.00 H new ATOM 1475 N PRO A 102 -5.224 28.431 14.870 1.00 0.00 N ATOM 1476 CA PRO A 102 -6.662 28.249 14.614 1.00 0.00 C ATOM 1477 C PRO A 102 -7.164 29.199 13.530 1.00 0.00 C ATOM 1478 O PRO A 102 -6.398 29.838 12.838 1.00 0.00 O ATOM 1479 CB PRO A 102 -7.337 28.579 15.941 1.00 0.00 C ATOM 1480 CG PRO A 102 -6.220 28.761 16.998 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.877 28.731 16.267 1.00 0.00 C ATOM 0 HA PRO A 102 -6.877 27.240 14.264 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.933 29.487 15.853 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.017 27.779 16.235 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.346 29.705 17.528 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.267 27.968 17.744 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.358 29.686 16.351 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.215 27.971 16.683 1.00 0.00 H new ATOM 1489 N ASP A 103 -8.459 29.305 13.400 1.00 0.00 N ATOM 1490 CA ASP A 103 -9.047 30.230 12.392 1.00 0.00 C ATOM 1491 C ASP A 103 -9.633 31.431 13.136 1.00 0.00 C ATOM 1492 O ASP A 103 -9.778 32.511 12.598 1.00 0.00 O ATOM 1493 CB ASP A 103 -10.149 29.512 11.610 1.00 0.00 C ATOM 1494 CG ASP A 103 -10.355 30.207 10.263 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -10.192 31.415 10.212 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -10.673 29.520 9.307 1.00 0.00 O ATOM 0 H ASP A 103 -9.139 28.785 13.954 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.283 30.559 11.688 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.878 28.468 11.455 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -11.078 29.519 12.180 1.00 0.00 H new ATOM 1501 N ARG A 104 -9.939 31.241 14.388 1.00 0.00 N ATOM 1502 CA ARG A 104 -10.485 32.348 15.225 1.00 0.00 C ATOM 1503 C ARG A 104 -9.696 32.389 16.536 1.00 0.00 C ATOM 1504 O ARG A 104 -9.545 31.387 17.207 1.00 0.00 O ATOM 1505 CB ARG A 104 -11.973 32.119 15.527 1.00 0.00 C ATOM 1506 CG ARG A 104 -12.279 30.620 15.619 1.00 0.00 C ATOM 1507 CD ARG A 104 -13.206 30.220 14.469 1.00 0.00 C ATOM 1508 NE ARG A 104 -12.739 30.866 13.209 1.00 0.00 N ATOM 1509 CZ ARG A 104 -13.208 30.471 12.056 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -14.089 29.509 12.000 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -12.795 31.040 10.956 1.00 0.00 N ATOM 0 H ARG A 104 -9.833 30.352 14.876 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.390 33.292 14.688 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -12.239 32.608 16.464 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.583 32.573 14.746 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.354 30.045 15.572 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.748 30.391 16.576 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.214 29.136 14.354 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -14.229 30.525 14.689 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.051 31.618 13.248 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.413 29.064 12.858 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.453 29.203 11.098 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.107 31.792 10.998 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.160 30.733 10.055 1.00 0.00 H new ATOM 1525 N GLN A 105 -9.180 33.527 16.905 1.00 0.00 N ATOM 1526 CA GLN A 105 -8.391 33.607 18.168 1.00 0.00 C ATOM 1527 C GLN A 105 -9.325 33.858 19.355 1.00 0.00 C ATOM 1528 O GLN A 105 -8.902 34.305 20.402 1.00 0.00 O ATOM 1529 CB GLN A 105 -7.380 34.750 18.065 1.00 0.00 C ATOM 1530 CG GLN A 105 -5.960 34.183 18.111 1.00 0.00 C ATOM 1531 CD GLN A 105 -5.666 33.656 19.517 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -6.369 32.801 20.017 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -4.648 34.133 20.179 1.00 0.00 N ATOM 0 H GLN A 105 -9.269 34.403 16.390 1.00 0.00 H new ATOM 0 HA GLN A 105 -7.866 32.664 18.321 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.533 35.302 17.137 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.528 35.455 18.883 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.854 33.381 17.381 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.240 34.956 17.843 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.058 34.851 19.759 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.442 33.788 21.117 1.00 0.00 H new ATOM 1542 N TRP A 106 -10.589 33.571 19.207 1.00 0.00 N ATOM 1543 CA TRP A 106 -11.534 33.794 20.338 1.00 0.00 C ATOM 1544 C TRP A 106 -11.464 35.257 20.780 1.00 0.00 C ATOM 1545 O TRP A 106 -11.504 35.497 21.976 1.00 0.00 O ATOM 1546 CB TRP A 106 -11.144 32.889 21.508 1.00 0.00 C ATOM 1547 CG TRP A 106 -12.231 31.892 21.753 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -12.110 30.554 21.593 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -13.596 32.130 22.197 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -13.317 29.956 21.911 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -14.264 30.887 22.291 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -14.312 33.295 22.524 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -15.597 30.802 22.697 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -15.653 33.214 22.932 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -16.294 31.969 23.019 1.00 0.00 C ATOM 1556 OXT TRP A 106 -11.371 36.113 19.916 1.00 0.00 O ATOM 0 H TRP A 106 -11.007 33.194 18.357 1.00 0.00 H new ATOM 0 HA TRP A 106 -12.549 33.560 20.018 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -10.208 32.375 21.288 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -10.976 33.487 22.404 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -11.218 30.037 21.270 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -13.486 28.951 21.870 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -13.827 34.258 22.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -16.086 29.841 22.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -16.194 34.115 23.180 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -17.325 31.913 23.335 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -4.543 26.612 27.154 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -3.039 25.580 25.195 1.00 0.00 FE HETATM 1570 S1 FES A 107 -4.437 24.508 26.510 1.00 0.00 S HETATM 1571 S2 FES A 107 -3.025 27.647 25.947 1.00 0.00 S