USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 914 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 81 LYS NZ :NH3+ 171:sc= 0.997 (180deg=0) USER MOD Set 1.2: A 83 THR OG1 : rot -76:sc= 2.15 USER MOD Set 2.1: A 43 THR OG1 : rot -140:sc= 0.0188 USER MOD Set 2.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 10 SER OG : rot -129:sc= 0.404 USER MOD Set 3.2: A 12 ASN : amide:sc= -1.96 K(o=-1.6,f=-0.19) USER MOD Set 4.1: A 9 LYS NZ :NH3+ -169:sc= 2.17 (180deg=1.03) USER MOD Set 4.2: A 114 SER OG : rot -150:sc= 0.736 USER MOD Single : A 1 ARG N :NH3+ 130:sc= 0.219 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 1.15 (180deg=1.1) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.906 K(o=-0.91,f=-0.039) USER MOD Single : A 21 GLN : amide:sc= -0.0276 X(o=-0.028,f=-0.047) USER MOD Single : A 25 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.7!) USER MOD Single : A 31 SER OG : rot 33:sc= 0.798 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00518 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -140:sc= -0.0328 USER MOD Single : A 53 THR OG1 : rot -3:sc= 0.172 USER MOD Single : A 55 GLN : amide:sc= 0.438 K(o=0.44,f=-0.53) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= 0.64 K(o=0.64,f=-2.6!) USER MOD Single : A 60 THR OG1 : rot -141:sc= 1.21 USER MOD Single : A 61 ASN : amide:sc= -0.0783 X(o=-0.078,f=-0.29) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.631 K(o=-0.63,f=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -40:sc= 0.128 USER MOD Single : A 73 THR OG1 : rot -34:sc= 0.266 USER MOD Single : A 74 ASN : amide:sc= -0.0332 X(o=-0.033,f=-0.033) USER MOD Single : A 77 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=-0.055) USER MOD Single : A 79 LYS NZ :NH3+ -145:sc= 0.303 (180deg=-0.471) USER MOD Single : A 82 ASN : amide:sc= -0.264 K(o=-0.26,f=-4.4!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -105:sc= 0.866 USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0237) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -1.41 K(o=-1.4,f=-3) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.88 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc=-0.00286 K(o=-0.0029,f=-0.76) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 18.254 -7.598 16.674 1.00 0.00 N ATOM 2 CA ARG A 1 18.799 -7.489 15.292 1.00 0.00 C ATOM 3 C ARG A 1 18.342 -8.662 14.404 1.00 0.00 C ATOM 4 O ARG A 1 19.011 -9.697 14.388 1.00 0.00 O ATOM 5 CB ARG A 1 20.336 -7.261 15.289 1.00 0.00 C ATOM 6 CG ARG A 1 21.221 -8.300 16.014 1.00 0.00 C ATOM 7 CD ARG A 1 22.712 -7.998 15.796 1.00 0.00 C ATOM 8 NE ARG A 1 23.555 -9.170 16.103 1.00 0.00 N ATOM 9 CZ ARG A 1 23.819 -10.197 15.315 1.00 0.00 C ATOM 10 NH1 ARG A 1 23.311 -10.307 14.120 1.00 0.00 N ATOM 11 NH2 ARG A 1 24.608 -11.152 15.715 1.00 0.00 N ATOM 0 H1 ARG A 1 19.025 -7.481 17.362 1.00 0.00 H new ATOM 0 H2 ARG A 1 17.540 -6.857 16.825 1.00 0.00 H new ATOM 0 H3 ARG A 1 17.815 -8.532 16.801 1.00 0.00 H new ATOM 0 HA ARG A 1 18.374 -6.594 14.837 1.00 0.00 H new ATOM 0 HB2 ARG A 1 20.664 -7.208 14.251 1.00 0.00 H new ATOM 0 HB3 ARG A 1 20.531 -6.286 15.735 1.00 0.00 H new ATOM 0 HG2 ARG A 1 20.997 -8.294 17.081 1.00 0.00 H new ATOM 0 HG3 ARG A 1 20.991 -9.300 15.646 1.00 0.00 H new ATOM 0 HD2 ARG A 1 22.875 -7.693 14.762 1.00 0.00 H new ATOM 0 HD3 ARG A 1 23.010 -7.160 16.426 1.00 0.00 H new ATOM 0 HE ARG A 1 23.982 -9.189 17.029 1.00 0.00 H new ATOM 0 HH11 ARG A 1 22.685 -9.585 13.763 1.00 0.00 H new ATOM 0 HH12 ARG A 1 23.539 -11.115 13.541 1.00 0.00 H new ATOM 0 HH21 ARG A 1 25.028 -11.111 16.644 1.00 0.00 H new ATOM 0 HH22 ARG A 1 24.806 -11.941 15.100 1.00 0.00 H new ATOM 27 N PRO A 2 17.207 -8.567 13.674 1.00 0.00 N ATOM 28 CA PRO A 2 16.726 -9.686 12.854 1.00 0.00 C ATOM 29 C PRO A 2 17.603 -9.908 11.609 1.00 0.00 C ATOM 30 O PRO A 2 18.179 -10.985 11.442 1.00 0.00 O ATOM 31 CB PRO A 2 15.269 -9.357 12.508 1.00 0.00 C ATOM 32 CG PRO A 2 15.200 -7.833 12.584 1.00 0.00 C ATOM 33 CD PRO A 2 16.248 -7.463 13.636 1.00 0.00 C ATOM 0 HA PRO A 2 16.786 -10.631 13.394 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.004 -9.718 11.514 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.578 -9.822 13.211 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.424 -7.375 11.620 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.206 -7.493 12.875 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.744 -6.527 13.377 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.784 -7.319 14.612 1.00 0.00 H new ATOM 41 N CYS A 3 17.704 -8.894 10.742 1.00 0.00 N ATOM 42 CA CYS A 3 18.439 -8.906 9.468 1.00 0.00 C ATOM 43 C CYS A 3 19.150 -7.555 9.244 1.00 0.00 C ATOM 44 O CYS A 3 19.006 -6.630 10.049 1.00 0.00 O ATOM 45 CB CYS A 3 17.489 -9.290 8.309 1.00 0.00 C ATOM 46 SG CYS A 3 16.270 -10.571 8.766 1.00 0.00 S ATOM 0 H CYS A 3 17.253 -7.996 10.917 1.00 0.00 H new ATOM 0 HA CYS A 3 19.220 -9.666 9.502 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.960 -8.399 7.972 1.00 0.00 H new ATOM 0 HB3 CYS A 3 18.081 -9.646 7.466 1.00 0.00 H new ATOM 51 N LYS A 4 19.936 -7.432 8.167 1.00 0.00 N ATOM 52 CA LYS A 4 20.715 -6.226 7.835 1.00 0.00 C ATOM 53 C LYS A 4 19.963 -5.365 6.817 1.00 0.00 C ATOM 54 O LYS A 4 19.535 -5.876 5.780 1.00 0.00 O ATOM 55 CB LYS A 4 22.094 -6.635 7.283 1.00 0.00 C ATOM 56 CG LYS A 4 22.916 -7.570 8.193 1.00 0.00 C ATOM 57 CD LYS A 4 23.227 -7.027 9.598 1.00 0.00 C ATOM 58 CE LYS A 4 24.146 -5.799 9.550 1.00 0.00 C ATOM 59 NZ LYS A 4 24.520 -5.344 10.916 1.00 0.00 N ATOM 0 H LYS A 4 20.053 -8.182 7.486 1.00 0.00 H new ATOM 0 HA LYS A 4 20.857 -5.635 8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.951 -7.125 6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.675 -5.732 7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 4 22.377 -8.511 8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.858 -7.797 7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.296 -6.763 10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.698 -7.809 10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 4 25.047 -6.040 8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.645 -4.989 9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 25.141 -4.513 10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.661 -5.091 11.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 25.020 -6.109 11.412 1.00 0.00 H new ATOM 73 N TYR A 5 19.828 -4.067 7.092 1.00 0.00 N ATOM 74 CA TYR A 5 19.127 -3.095 6.240 1.00 0.00 C ATOM 75 C TYR A 5 19.930 -1.790 6.062 1.00 0.00 C ATOM 76 O TYR A 5 20.812 -1.479 6.869 1.00 0.00 O ATOM 77 CB TYR A 5 17.739 -2.786 6.829 1.00 0.00 C ATOM 78 CG TYR A 5 16.824 -3.978 7.068 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.882 -4.667 8.296 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.879 -4.368 6.096 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.990 -5.724 8.565 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.966 -5.403 6.377 1.00 0.00 C ATOM 83 CZ TYR A 5 15.028 -6.093 7.605 1.00 0.00 C ATOM 84 OH TYR A 5 14.172 -7.122 7.849 1.00 0.00 O ATOM 0 H TYR A 5 20.213 -3.647 7.938 1.00 0.00 H new ATOM 0 HA TYR A 5 19.016 -3.544 5.253 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.878 -2.267 7.777 1.00 0.00 H new ATOM 0 HB3 TYR A 5 17.230 -2.094 6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.615 -4.383 9.036 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.856 -3.873 5.136 1.00 0.00 H new ATOM 0 HE1 TYR A 5 16.044 -6.251 9.506 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.215 -5.669 5.648 1.00 0.00 H new ATOM 0 HH TYR A 5 13.575 -7.240 7.081 1.00 0.00 H new ATOM 94 N LYS A 6 19.604 -1.013 5.020 1.00 0.00 N ATOM 95 CA LYS A 6 20.188 0.300 4.687 1.00 0.00 C ATOM 96 C LYS A 6 19.201 1.457 4.917 1.00 0.00 C ATOM 97 O LYS A 6 17.982 1.277 4.863 1.00 0.00 O ATOM 98 CB LYS A 6 20.775 0.273 3.257 1.00 0.00 C ATOM 99 CG LYS A 6 19.736 0.105 2.126 1.00 0.00 C ATOM 100 CD LYS A 6 19.919 -1.162 1.271 1.00 0.00 C ATOM 101 CE LYS A 6 21.163 -1.124 0.375 1.00 0.00 C ATOM 102 NZ LYS A 6 21.142 -2.238 -0.612 1.00 0.00 N ATOM 0 H LYS A 6 18.889 -1.295 4.350 1.00 0.00 H new ATOM 0 HA LYS A 6 21.011 0.494 5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 6 21.325 1.199 3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 6 21.495 -0.542 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.739 0.090 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.784 0.977 1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.982 -2.028 1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.036 -1.300 0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.209 -0.169 -0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.061 -1.194 0.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.994 -2.191 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.121 -3.148 -0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.296 -2.155 -1.212 1.00 0.00 H new ATOM 116 N LEU A 7 19.747 2.643 5.186 1.00 0.00 N ATOM 117 CA LEU A 7 19.034 3.849 5.628 1.00 0.00 C ATOM 118 C LEU A 7 18.415 4.615 4.439 1.00 0.00 C ATOM 119 O LEU A 7 19.141 5.159 3.602 1.00 0.00 O ATOM 120 CB LEU A 7 20.028 4.719 6.441 1.00 0.00 C ATOM 121 CG LEU A 7 19.443 5.542 7.604 1.00 0.00 C ATOM 122 CD1 LEU A 7 18.275 6.436 7.191 1.00 0.00 C ATOM 123 CD2 LEU A 7 18.993 4.647 8.761 1.00 0.00 C ATOM 0 H LEU A 7 20.751 2.800 5.098 1.00 0.00 H new ATOM 0 HA LEU A 7 18.192 3.575 6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.801 4.064 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.519 5.406 5.752 1.00 0.00 H new ATOM 0 HG LEU A 7 20.261 6.185 7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.913 6.986 8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.608 7.140 6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.470 5.820 6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.586 5.265 9.562 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.226 3.957 8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 7 19.846 4.081 9.136 1.00 0.00 H new ATOM 135 N LYS A 8 17.077 4.657 4.355 1.00 0.00 N ATOM 136 CA LYS A 8 16.309 5.323 3.284 1.00 0.00 C ATOM 137 C LYS A 8 15.076 6.062 3.825 1.00 0.00 C ATOM 138 O LYS A 8 14.067 5.431 4.124 1.00 0.00 O ATOM 139 CB LYS A 8 15.921 4.259 2.236 1.00 0.00 C ATOM 140 CG LYS A 8 15.173 4.819 1.011 1.00 0.00 C ATOM 141 CD LYS A 8 16.042 5.739 0.143 1.00 0.00 C ATOM 142 CE LYS A 8 15.262 6.145 -1.112 1.00 0.00 C ATOM 143 NZ LYS A 8 16.081 7.000 -2.012 1.00 0.00 N ATOM 0 H LYS A 8 16.477 4.215 5.052 1.00 0.00 H new ATOM 0 HA LYS A 8 16.930 6.090 2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.825 3.755 1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.296 3.505 2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.813 3.990 0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.296 5.371 1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.329 6.626 0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.963 5.228 -0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.944 5.251 -1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.359 6.681 -0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.522 7.256 -2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.364 7.864 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.931 6.478 -2.308 1.00 0.00 H new ATOM 157 N LYS A 9 15.129 7.393 3.937 1.00 0.00 N ATOM 158 CA LYS A 9 13.997 8.240 4.384 1.00 0.00 C ATOM 159 C LYS A 9 13.663 9.326 3.356 1.00 0.00 C ATOM 160 O LYS A 9 14.546 9.801 2.640 1.00 0.00 O ATOM 161 CB LYS A 9 14.291 8.862 5.770 1.00 0.00 C ATOM 162 CG LYS A 9 14.744 7.876 6.864 1.00 0.00 C ATOM 163 CD LYS A 9 13.716 6.787 7.214 1.00 0.00 C ATOM 164 CE LYS A 9 14.362 5.700 8.084 1.00 0.00 C ATOM 165 NZ LYS A 9 13.583 4.433 8.057 1.00 0.00 N ATOM 0 H LYS A 9 15.969 7.929 3.718 1.00 0.00 H new ATOM 0 HA LYS A 9 13.121 7.598 4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.063 9.622 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.392 9.372 6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.667 7.395 6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.978 8.439 7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.872 7.231 7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.322 6.343 6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.377 5.510 7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.441 6.056 9.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.940 3.790 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.579 4.639 8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.685 3.983 7.125 1.00 0.00 H new ATOM 179 N SER A 10 12.392 9.721 3.294 1.00 0.00 N ATOM 180 CA SER A 10 11.864 10.773 2.411 1.00 0.00 C ATOM 181 C SER A 10 10.671 11.509 3.045 1.00 0.00 C ATOM 182 O SER A 10 10.182 11.120 4.109 1.00 0.00 O ATOM 183 CB SER A 10 11.453 10.148 1.070 1.00 0.00 C ATOM 184 OG SER A 10 11.315 11.167 0.095 1.00 0.00 O ATOM 0 H SER A 10 11.669 9.303 3.879 1.00 0.00 H new ATOM 0 HA SER A 10 12.649 11.512 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.202 9.423 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.513 9.607 1.182 1.00 0.00 H new ATOM 0 HG SER A 10 10.446 11.078 -0.350 1.00 0.00 H new ATOM 190 N THR A 11 10.173 12.557 2.383 1.00 0.00 N ATOM 191 CA THR A 11 8.993 13.318 2.816 1.00 0.00 C ATOM 192 C THR A 11 8.119 13.702 1.620 1.00 0.00 C ATOM 193 O THR A 11 8.470 14.604 0.857 1.00 0.00 O ATOM 194 CB THR A 11 9.356 14.568 3.636 1.00 0.00 C ATOM 195 OG1 THR A 11 10.343 14.307 4.616 1.00 0.00 O ATOM 196 CG2 THR A 11 8.104 15.024 4.379 1.00 0.00 C ATOM 0 H THR A 11 10.583 12.908 1.517 1.00 0.00 H new ATOM 0 HA THR A 11 8.427 12.658 3.473 1.00 0.00 H new ATOM 0 HB THR A 11 9.741 15.316 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.541 15.131 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.334 15.911 4.970 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.320 15.260 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.762 14.227 5.039 1.00 0.00 H new ATOM 204 N ASN A 12 7.004 12.992 1.417 1.00 0.00 N ATOM 205 CA ASN A 12 6.127 13.117 0.239 1.00 0.00 C ATOM 206 C ASN A 12 4.777 12.383 0.397 1.00 0.00 C ATOM 207 O ASN A 12 4.589 11.601 1.326 1.00 0.00 O ATOM 208 CB ASN A 12 6.881 12.635 -1.027 1.00 0.00 C ATOM 209 CG ASN A 12 7.629 11.317 -0.905 1.00 0.00 C ATOM 210 OD1 ASN A 12 8.714 11.139 -1.440 1.00 0.00 O ATOM 211 ND2 ASN A 12 7.082 10.336 -0.231 1.00 0.00 N ATOM 0 H ASN A 12 6.674 12.294 2.084 1.00 0.00 H new ATOM 0 HA ASN A 12 5.876 14.173 0.136 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.161 12.546 -1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.594 13.407 -1.315 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.561 9.438 -0.158 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.177 10.470 0.221 1.00 0.00 H new ATOM 218 N LYS A 13 3.856 12.621 -0.544 1.00 0.00 N ATOM 219 CA LYS A 13 2.590 11.899 -0.777 1.00 0.00 C ATOM 220 C LYS A 13 2.781 10.407 -1.091 1.00 0.00 C ATOM 221 O LYS A 13 3.891 9.941 -1.356 1.00 0.00 O ATOM 222 CB LYS A 13 1.785 12.596 -1.899 1.00 0.00 C ATOM 223 CG LYS A 13 2.583 13.124 -3.100 1.00 0.00 C ATOM 224 CD LYS A 13 2.870 14.628 -2.941 1.00 0.00 C ATOM 225 CE LYS A 13 3.740 15.147 -4.094 1.00 0.00 C ATOM 226 NZ LYS A 13 4.181 16.551 -3.870 1.00 0.00 N ATOM 0 H LYS A 13 3.981 13.379 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 13 2.031 11.937 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.040 11.892 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.242 13.432 -1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.521 12.577 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.024 12.950 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.931 15.180 -2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.374 14.807 -1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.614 14.506 -4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.179 15.087 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.649 16.909 -4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.355 17.144 -3.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.848 16.582 -3.072 1.00 0.00 H new ATOM 240 N PHE A 14 1.672 9.674 -1.122 1.00 0.00 N ATOM 241 CA PHE A 14 1.588 8.236 -1.392 1.00 0.00 C ATOM 242 C PHE A 14 0.335 7.886 -2.210 1.00 0.00 C ATOM 243 O PHE A 14 -0.707 8.536 -2.100 1.00 0.00 O ATOM 244 CB PHE A 14 1.617 7.458 -0.062 1.00 0.00 C ATOM 245 CG PHE A 14 0.677 7.993 1.012 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.703 7.712 0.963 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.179 8.816 2.037 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.578 8.295 1.899 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.306 9.377 2.984 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.076 9.149 2.896 1.00 0.00 C ATOM 0 H PHE A 14 0.755 10.087 -0.950 1.00 0.00 H new ATOM 0 HA PHE A 14 2.450 7.946 -1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.364 6.417 -0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.635 7.470 0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.091 7.047 0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.238 9.017 2.096 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.636 8.086 1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.700 9.987 3.784 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.750 9.627 3.591 1.00 0.00 H new ATOM 260 N CYS A 15 0.434 6.860 -3.058 1.00 0.00 N ATOM 261 CA CYS A 15 -0.672 6.366 -3.880 1.00 0.00 C ATOM 262 C CYS A 15 -1.221 5.035 -3.348 1.00 0.00 C ATOM 263 O CYS A 15 -0.472 4.156 -2.912 1.00 0.00 O ATOM 264 CB CYS A 15 -0.241 6.248 -5.347 1.00 0.00 C ATOM 265 SG CYS A 15 -1.648 5.954 -6.460 1.00 0.00 S ATOM 0 H CYS A 15 1.301 6.340 -3.195 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.484 7.091 -3.822 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.272 7.162 -5.647 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.476 5.433 -5.448 1.00 0.00 H new ATOM 270 N VAL A 16 -2.541 4.886 -3.423 1.00 0.00 N ATOM 271 CA VAL A 16 -3.325 3.746 -2.889 1.00 0.00 C ATOM 272 C VAL A 16 -4.542 3.419 -3.778 1.00 0.00 C ATOM 273 O VAL A 16 -4.764 4.097 -4.781 1.00 0.00 O ATOM 274 CB VAL A 16 -3.780 4.020 -1.436 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.636 4.005 -0.422 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.518 5.351 -1.288 1.00 0.00 C ATOM 0 H VAL A 16 -3.132 5.582 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.668 2.876 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.457 3.194 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.030 4.205 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.153 3.028 -0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.907 4.772 -0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.813 5.490 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.861 6.167 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.406 5.347 -1.920 1.00 0.00 H new ATOM 286 N THR A 17 -5.357 2.417 -3.418 1.00 0.00 N ATOM 287 CA THR A 17 -6.604 2.058 -4.138 1.00 0.00 C ATOM 288 C THR A 17 -7.814 1.997 -3.195 1.00 0.00 C ATOM 289 O THR A 17 -7.818 1.199 -2.256 1.00 0.00 O ATOM 290 CB THR A 17 -6.456 0.705 -4.854 1.00 0.00 C ATOM 291 OG1 THR A 17 -5.186 0.560 -5.459 1.00 0.00 O ATOM 292 CG2 THR A 17 -7.497 0.504 -5.945 1.00 0.00 C ATOM 0 H THR A 17 -5.174 1.822 -2.610 1.00 0.00 H new ATOM 0 HA THR A 17 -6.776 2.844 -4.873 1.00 0.00 H new ATOM 0 HB THR A 17 -6.592 -0.040 -4.070 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.132 -0.313 -5.901 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.346 -0.467 -6.417 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.495 0.544 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.397 1.291 -6.693 1.00 0.00 H new ATOM 300 N CYS A 18 -8.835 2.839 -3.416 1.00 0.00 N ATOM 301 CA CYS A 18 -10.062 2.879 -2.609 1.00 0.00 C ATOM 302 C CYS A 18 -11.110 1.895 -3.122 1.00 0.00 C ATOM 303 O CYS A 18 -11.483 1.928 -4.293 1.00 0.00 O ATOM 304 CB CYS A 18 -10.665 4.283 -2.612 1.00 0.00 C ATOM 305 SG CYS A 18 -11.945 4.573 -1.379 1.00 0.00 S ATOM 0 H CYS A 18 -8.830 3.522 -4.173 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.781 2.597 -1.594 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.864 5.005 -2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.083 4.479 -3.599 1.00 0.00 H new ATOM 310 N GLU A 19 -11.621 1.057 -2.229 1.00 0.00 N ATOM 311 CA GLU A 19 -12.674 0.082 -2.500 1.00 0.00 C ATOM 312 C GLU A 19 -13.701 0.123 -1.362 1.00 0.00 C ATOM 313 O GLU A 19 -13.384 -0.184 -0.213 1.00 0.00 O ATOM 314 CB GLU A 19 -12.058 -1.314 -2.689 1.00 0.00 C ATOM 315 CG GLU A 19 -13.072 -2.281 -3.314 1.00 0.00 C ATOM 316 CD GLU A 19 -12.518 -3.717 -3.403 1.00 0.00 C ATOM 317 OE1 GLU A 19 -12.601 -4.461 -2.396 1.00 0.00 O ATOM 318 OE2 GLU A 19 -12.033 -4.123 -4.487 1.00 0.00 O ATOM 0 H GLU A 19 -11.303 1.036 -1.260 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.194 0.328 -3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.177 -1.243 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.725 -1.702 -1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.987 -2.281 -2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.339 -1.932 -4.312 1.00 0.00 H new ATOM 325 N ASN A 20 -14.930 0.539 -1.682 1.00 0.00 N ATOM 326 CA ASN A 20 -16.007 0.809 -0.718 1.00 0.00 C ATOM 327 C ASN A 20 -15.605 1.868 0.341 1.00 0.00 C ATOM 328 O ASN A 20 -15.687 1.644 1.551 1.00 0.00 O ATOM 329 CB ASN A 20 -16.565 -0.510 -0.135 1.00 0.00 C ATOM 330 CG ASN A 20 -17.355 -1.339 -1.133 1.00 0.00 C ATOM 331 OD1 ASN A 20 -18.571 -1.443 -1.059 1.00 0.00 O ATOM 332 ND2 ASN A 20 -16.711 -1.953 -2.101 1.00 0.00 N ATOM 0 H ASN A 20 -15.214 0.703 -2.648 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.837 1.274 -1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.736 -1.108 0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -17.205 -0.277 0.716 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -17.226 -2.511 -2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.697 -1.872 -2.170 1.00 0.00 H new ATOM 339 N GLN A 21 -15.216 3.056 -0.142 1.00 0.00 N ATOM 340 CA GLN A 21 -14.971 4.298 0.618 1.00 0.00 C ATOM 341 C GLN A 21 -13.800 4.221 1.620 1.00 0.00 C ATOM 342 O GLN A 21 -13.782 4.937 2.625 1.00 0.00 O ATOM 343 CB GLN A 21 -16.267 4.808 1.283 1.00 0.00 C ATOM 344 CG GLN A 21 -17.465 4.933 0.332 1.00 0.00 C ATOM 345 CD GLN A 21 -18.424 3.752 0.425 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.964 3.413 1.469 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.705 3.098 -0.676 1.00 0.00 N ATOM 0 H GLN A 21 -15.052 3.188 -1.140 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.648 5.031 -0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.534 4.132 2.095 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -16.071 5.783 1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -18.006 5.852 0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -17.102 5.019 -0.692 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -18.264 3.367 -1.556 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -19.365 2.320 -0.653 1.00 0.00 H new ATOM 356 N ALA A 22 -12.822 3.352 1.359 1.00 0.00 N ATOM 357 CA ALA A 22 -11.670 3.116 2.210 1.00 0.00 C ATOM 358 C ALA A 22 -10.531 2.493 1.376 1.00 0.00 C ATOM 359 O ALA A 22 -10.783 1.602 0.559 1.00 0.00 O ATOM 360 CB ALA A 22 -12.118 2.193 3.346 1.00 0.00 C ATOM 0 H ALA A 22 -12.817 2.776 0.517 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.287 4.045 2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.275 1.994 4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.917 2.673 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.482 1.254 2.930 1.00 0.00 H new ATOM 366 N PRO A 23 -9.284 2.964 1.525 1.00 0.00 N ATOM 367 CA PRO A 23 -8.126 2.423 0.825 1.00 0.00 C ATOM 368 C PRO A 23 -7.655 1.084 1.412 1.00 0.00 C ATOM 369 O PRO A 23 -7.084 1.023 2.499 1.00 0.00 O ATOM 370 CB PRO A 23 -7.086 3.534 0.887 1.00 0.00 C ATOM 371 CG PRO A 23 -7.392 4.219 2.214 1.00 0.00 C ATOM 372 CD PRO A 23 -8.910 4.149 2.282 1.00 0.00 C ATOM 0 HA PRO A 23 -8.349 2.161 -0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.071 3.138 0.862 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.180 4.222 0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.925 3.704 3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.033 5.248 2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.253 4.078 3.314 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.363 5.045 1.856 1.00 0.00 H new ATOM 380 N VAL A 24 -7.893 -0.007 0.680 1.00 0.00 N ATOM 381 CA VAL A 24 -7.524 -1.379 1.050 1.00 0.00 C ATOM 382 C VAL A 24 -6.255 -1.851 0.334 1.00 0.00 C ATOM 383 O VAL A 24 -5.936 -3.025 0.450 1.00 0.00 O ATOM 384 CB VAL A 24 -8.695 -2.371 0.825 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.994 -1.879 1.477 1.00 0.00 C ATOM 386 CG2 VAL A 24 -9.012 -2.620 -0.655 1.00 0.00 C ATOM 0 H VAL A 24 -8.366 0.041 -0.222 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.305 -1.363 2.118 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.349 -3.297 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.789 -2.603 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.843 -1.767 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.275 -0.917 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.841 -3.323 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.287 -1.679 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.134 -3.035 -1.150 1.00 0.00 H new ATOM 396 N HIS A 25 -5.535 -1.003 -0.422 1.00 0.00 N ATOM 397 CA HIS A 25 -4.355 -1.414 -1.211 1.00 0.00 C ATOM 398 C HIS A 25 -3.314 -0.301 -1.334 1.00 0.00 C ATOM 399 O HIS A 25 -3.686 0.864 -1.455 1.00 0.00 O ATOM 400 CB HIS A 25 -4.809 -1.806 -2.624 1.00 0.00 C ATOM 401 CG HIS A 25 -3.812 -2.653 -3.372 1.00 0.00 C ATOM 402 ND1 HIS A 25 -3.548 -3.986 -3.132 1.00 0.00 N ATOM 403 CD2 HIS A 25 -3.010 -2.235 -4.397 1.00 0.00 C ATOM 404 CE1 HIS A 25 -2.581 -4.376 -3.987 1.00 0.00 C ATOM 405 NE2 HIS A 25 -2.239 -3.326 -4.766 1.00 0.00 N ATOM 0 H HIS A 25 -5.754 -0.010 -0.505 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.893 -2.252 -0.689 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.752 -2.348 -2.555 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.004 -0.900 -3.197 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.003 -4.572 -2.432 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -2.983 -1.248 -4.834 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.151 -5.365 -4.040 1.00 0.00 H new ATOM 414 N PHE A 26 -2.028 -0.655 -1.379 1.00 0.00 N ATOM 415 CA PHE A 26 -0.911 0.276 -1.576 1.00 0.00 C ATOM 416 C PHE A 26 -0.379 0.205 -3.015 1.00 0.00 C ATOM 417 O PHE A 26 -0.141 -0.886 -3.536 1.00 0.00 O ATOM 418 CB PHE A 26 0.197 -0.038 -0.553 1.00 0.00 C ATOM 419 CG PHE A 26 1.409 0.877 -0.608 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.245 2.276 -0.550 1.00 0.00 C ATOM 421 CD2 PHE A 26 2.708 0.334 -0.684 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.365 3.122 -0.598 1.00 0.00 C ATOM 423 CE2 PHE A 26 3.828 1.182 -0.728 1.00 0.00 C ATOM 424 CZ PHE A 26 3.655 2.574 -0.689 1.00 0.00 C ATOM 0 H PHE A 26 -1.725 -1.623 -1.277 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.262 1.296 -1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.231 0.012 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.530 -1.065 -0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.255 2.699 -0.468 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.843 -0.737 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.234 4.194 -0.565 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.821 0.763 -0.792 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.516 3.225 -0.729 1.00 0.00 H new ATOM 434 N VAL A 27 -0.199 1.364 -3.659 1.00 0.00 N ATOM 435 CA VAL A 27 0.309 1.474 -5.041 1.00 0.00 C ATOM 436 C VAL A 27 1.771 1.938 -5.083 1.00 0.00 C ATOM 437 O VAL A 27 2.588 1.292 -5.740 1.00 0.00 O ATOM 438 CB VAL A 27 -0.581 2.395 -5.900 1.00 0.00 C ATOM 439 CG1 VAL A 27 -0.079 2.496 -7.343 1.00 0.00 C ATOM 440 CG2 VAL A 27 -2.030 1.913 -5.975 1.00 0.00 C ATOM 0 H VAL A 27 -0.404 2.268 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 27 0.271 0.472 -5.468 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.532 3.364 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.736 3.155 -7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.933 2.900 -7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.077 1.505 -7.798 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.610 2.599 -6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.060 0.916 -6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.455 1.880 -4.972 1.00 0.00 H new ATOM 450 N GLY A 28 2.119 3.054 -4.430 1.00 0.00 N ATOM 451 CA GLY A 28 3.460 3.642 -4.537 1.00 0.00 C ATOM 452 C GLY A 28 3.662 4.935 -3.745 1.00 0.00 C ATOM 453 O GLY A 28 2.808 5.352 -2.964 1.00 0.00 O ATOM 0 H GLY A 28 1.486 3.570 -3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.191 2.908 -4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.671 3.840 -5.588 1.00 0.00 H new ATOM 457 N VAL A 29 4.817 5.570 -3.946 1.00 0.00 N ATOM 458 CA VAL A 29 5.292 6.750 -3.200 1.00 0.00 C ATOM 459 C VAL A 29 5.597 7.902 -4.163 1.00 0.00 C ATOM 460 O VAL A 29 6.368 7.728 -5.107 1.00 0.00 O ATOM 461 CB VAL A 29 6.545 6.398 -2.372 1.00 0.00 C ATOM 462 CG1 VAL A 29 6.951 7.586 -1.504 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.315 5.221 -1.421 1.00 0.00 C ATOM 0 H VAL A 29 5.479 5.269 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 29 4.504 7.066 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 29 7.317 6.135 -3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.836 7.327 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.172 8.443 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.135 7.838 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.230 5.018 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.514 5.467 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.037 4.338 -1.996 1.00 0.00 H new ATOM 473 N GLY A 30 4.975 9.072 -3.958 1.00 0.00 N ATOM 474 CA GLY A 30 5.140 10.251 -4.827 1.00 0.00 C ATOM 475 C GLY A 30 4.607 10.106 -6.264 1.00 0.00 C ATOM 476 O GLY A 30 4.788 11.015 -7.075 1.00 0.00 O ATOM 0 H GLY A 30 4.337 9.230 -3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.639 11.097 -4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.201 10.496 -4.876 1.00 0.00 H new ATOM 480 N SER A 31 3.978 8.972 -6.593 1.00 0.00 N ATOM 481 CA SER A 31 3.436 8.567 -7.903 1.00 0.00 C ATOM 482 C SER A 31 2.579 7.297 -7.759 1.00 0.00 C ATOM 483 O SER A 31 2.686 6.575 -6.766 1.00 0.00 O ATOM 484 CB SER A 31 4.580 8.267 -8.886 1.00 0.00 C ATOM 485 OG SER A 31 5.155 9.461 -9.387 1.00 0.00 O ATOM 0 H SER A 31 3.819 8.249 -5.891 1.00 0.00 H new ATOM 0 HA SER A 31 2.826 9.388 -8.280 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.346 7.674 -8.386 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.203 7.667 -9.714 1.00 0.00 H new ATOM 0 HG SER A 31 5.119 10.156 -8.697 1.00 0.00 H new ATOM 491 N CYS A 32 1.760 6.999 -8.770 1.00 0.00 N ATOM 492 CA CYS A 32 0.973 5.768 -8.896 1.00 0.00 C ATOM 493 C CYS A 32 1.616 4.818 -9.927 1.00 0.00 C ATOM 494 O CYS A 32 1.558 5.065 -11.134 1.00 0.00 O ATOM 495 CB CYS A 32 -0.468 6.131 -9.278 1.00 0.00 C ATOM 496 SG CYS A 32 -1.357 7.156 -8.077 1.00 0.00 S ATOM 0 H CYS A 32 1.621 7.634 -9.556 1.00 0.00 H new ATOM 0 HA CYS A 32 0.957 5.240 -7.942 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.451 6.654 -10.234 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.029 5.209 -9.429 1.00 0.00 H new ATOM 501 N GLY A 33 2.254 3.744 -9.452 1.00 0.00 N ATOM 502 CA GLY A 33 3.043 2.795 -10.253 1.00 0.00 C ATOM 503 C GLY A 33 2.344 1.447 -10.451 1.00 0.00 C ATOM 504 O GLY A 33 2.759 0.437 -9.877 1.00 0.00 O ATOM 0 H GLY A 33 2.236 3.500 -8.462 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.250 3.236 -11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.005 2.631 -9.767 1.00 0.00 H new ATOM 508 N SER A 34 1.282 1.430 -11.262 1.00 0.00 N ATOM 509 CA SER A 34 0.576 0.203 -11.674 1.00 0.00 C ATOM 510 C SER A 34 1.431 -0.683 -12.605 1.00 0.00 C ATOM 511 O SER A 34 2.404 -0.221 -13.210 1.00 0.00 O ATOM 512 CB SER A 34 -0.742 0.586 -12.358 1.00 0.00 C ATOM 513 OG SER A 34 -1.592 -0.544 -12.472 1.00 0.00 O ATOM 0 H SER A 34 0.879 2.279 -11.659 1.00 0.00 H new ATOM 0 HA SER A 34 0.375 -0.387 -10.780 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.242 1.367 -11.785 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.539 0.996 -13.347 1.00 0.00 H new ATOM 0 HG SER A 34 -2.429 -0.281 -12.909 1.00 0.00 H new ATOM 519 N GLY A 35 1.063 -1.960 -12.742 1.00 0.00 N ATOM 520 CA GLY A 35 1.766 -2.962 -13.553 1.00 0.00 C ATOM 521 C GLY A 35 1.359 -4.409 -13.240 1.00 0.00 C ATOM 522 O GLY A 35 0.506 -4.663 -12.383 1.00 0.00 O ATOM 0 H GLY A 35 0.239 -2.339 -12.276 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.576 -2.761 -14.607 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.839 -2.854 -13.397 1.00 0.00 H new ATOM 526 N GLY A 36 1.982 -5.360 -13.941 1.00 0.00 N ATOM 527 CA GLY A 36 1.753 -6.807 -13.831 1.00 0.00 C ATOM 528 C GLY A 36 3.055 -7.570 -13.569 1.00 0.00 C ATOM 529 O GLY A 36 3.887 -7.705 -14.471 1.00 0.00 O ATOM 0 H GLY A 36 2.695 -5.133 -14.635 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.048 -7.003 -13.023 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.295 -7.174 -14.750 1.00 0.00 H new ATOM 533 N SER A 37 3.244 -8.049 -12.335 1.00 0.00 N ATOM 534 CA SER A 37 4.425 -8.810 -11.890 1.00 0.00 C ATOM 535 C SER A 37 4.047 -9.973 -10.953 1.00 0.00 C ATOM 536 O SER A 37 2.899 -10.094 -10.515 1.00 0.00 O ATOM 537 CB SER A 37 5.415 -7.848 -11.215 1.00 0.00 C ATOM 538 OG SER A 37 6.688 -8.455 -11.057 1.00 0.00 O ATOM 0 H SER A 37 2.559 -7.915 -11.591 1.00 0.00 H new ATOM 0 HA SER A 37 4.896 -9.263 -12.762 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.512 -6.942 -11.813 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.028 -7.547 -10.241 1.00 0.00 H new ATOM 0 HG SER A 37 7.301 -7.823 -10.627 1.00 0.00 H new ATOM 544 N GLY A 38 5.018 -10.835 -10.630 1.00 0.00 N ATOM 545 CA GLY A 38 4.864 -12.047 -9.809 1.00 0.00 C ATOM 546 C GLY A 38 5.090 -11.854 -8.301 1.00 0.00 C ATOM 547 O GLY A 38 5.146 -12.837 -7.559 1.00 0.00 O ATOM 0 H GLY A 38 5.978 -10.703 -10.947 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.860 -12.443 -9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.563 -12.802 -10.170 1.00 0.00 H new ATOM 551 N ILE A 39 5.261 -10.608 -7.844 1.00 0.00 N ATOM 552 CA ILE A 39 5.598 -10.237 -6.459 1.00 0.00 C ATOM 553 C ILE A 39 4.526 -10.722 -5.467 1.00 0.00 C ATOM 554 O ILE A 39 3.322 -10.558 -5.680 1.00 0.00 O ATOM 555 CB ILE A 39 5.808 -8.709 -6.339 1.00 0.00 C ATOM 556 CG1 ILE A 39 6.919 -8.213 -7.300 1.00 0.00 C ATOM 557 CG2 ILE A 39 6.152 -8.301 -4.892 1.00 0.00 C ATOM 558 CD1 ILE A 39 6.953 -6.689 -7.486 1.00 0.00 C ATOM 0 H ILE A 39 5.165 -9.795 -8.452 1.00 0.00 H new ATOM 0 HA ILE A 39 6.533 -10.735 -6.201 1.00 0.00 H new ATOM 0 HB ILE A 39 4.867 -8.237 -6.621 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.886 -8.544 -6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.780 -8.684 -8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.293 -7.221 -4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.337 -8.591 -4.229 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.069 -8.802 -4.581 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.757 -6.424 -8.172 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.001 -6.351 -7.895 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.125 -6.209 -6.523 1.00 0.00 H new ATOM 570 N PHE A 40 4.995 -11.281 -4.349 1.00 0.00 N ATOM 571 CA PHE A 40 4.198 -11.773 -3.213 1.00 0.00 C ATOM 572 C PHE A 40 4.873 -11.490 -1.846 1.00 0.00 C ATOM 573 O PHE A 40 4.584 -12.134 -0.838 1.00 0.00 O ATOM 574 CB PHE A 40 3.903 -13.270 -3.439 1.00 0.00 C ATOM 575 CG PHE A 40 2.632 -13.761 -2.771 1.00 0.00 C ATOM 576 CD1 PHE A 40 1.388 -13.545 -3.395 1.00 0.00 C ATOM 577 CD2 PHE A 40 2.682 -14.428 -1.530 1.00 0.00 C ATOM 578 CE1 PHE A 40 0.202 -13.993 -2.787 1.00 0.00 C ATOM 579 CE2 PHE A 40 1.495 -14.873 -0.920 1.00 0.00 C ATOM 580 CZ PHE A 40 0.255 -14.656 -1.548 1.00 0.00 C ATOM 0 H PHE A 40 5.996 -11.412 -4.200 1.00 0.00 H new ATOM 0 HA PHE A 40 3.255 -11.228 -3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.833 -13.457 -4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.745 -13.855 -3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.345 -13.033 -4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.633 -14.598 -1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.749 -13.828 -3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.536 -15.382 0.032 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.656 -14.998 -1.079 1.00 0.00 H new ATOM 590 N LEU A 41 5.830 -10.552 -1.814 1.00 0.00 N ATOM 591 CA LEU A 41 6.711 -10.283 -0.665 1.00 0.00 C ATOM 592 C LEU A 41 6.006 -9.620 0.540 1.00 0.00 C ATOM 593 O LEU A 41 6.521 -9.680 1.658 1.00 0.00 O ATOM 594 CB LEU A 41 7.900 -9.428 -1.150 1.00 0.00 C ATOM 595 CG LEU A 41 8.854 -10.179 -2.104 1.00 0.00 C ATOM 596 CD1 LEU A 41 9.734 -9.198 -2.874 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.770 -11.142 -1.345 1.00 0.00 C ATOM 0 H LEU A 41 6.019 -9.941 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 41 7.052 -11.246 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.517 -8.542 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.464 -9.081 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 41 8.225 -10.744 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.398 -9.750 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.105 -8.529 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.328 -8.614 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.426 -11.652 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.372 -10.583 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.165 -11.878 -0.815 1.00 0.00 H new ATOM 609 N GLU A 42 4.819 -9.042 0.341 1.00 0.00 N ATOM 610 CA GLU A 42 3.894 -8.591 1.385 1.00 0.00 C ATOM 611 C GLU A 42 2.523 -9.291 1.304 1.00 0.00 C ATOM 612 O GLU A 42 2.228 -10.030 0.363 1.00 0.00 O ATOM 613 CB GLU A 42 3.756 -7.061 1.317 1.00 0.00 C ATOM 614 CG GLU A 42 3.115 -6.515 0.032 1.00 0.00 C ATOM 615 CD GLU A 42 2.948 -4.986 0.122 1.00 0.00 C ATOM 616 OE1 GLU A 42 2.040 -4.520 0.853 1.00 0.00 O ATOM 617 OE2 GLU A 42 3.725 -4.248 -0.531 1.00 0.00 O ATOM 0 H GLU A 42 4.459 -8.867 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 42 4.311 -8.870 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.163 -6.728 2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.746 -6.618 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.735 -6.769 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.144 -6.985 -0.125 1.00 0.00 H new ATOM 624 N THR A 43 1.655 -9.015 2.283 1.00 0.00 N ATOM 625 CA THR A 43 0.278 -9.532 2.404 1.00 0.00 C ATOM 626 C THR A 43 -0.604 -9.215 1.184 1.00 0.00 C ATOM 627 O THR A 43 -1.560 -9.941 0.912 1.00 0.00 O ATOM 628 CB THR A 43 -0.356 -8.949 3.683 1.00 0.00 C ATOM 629 OG1 THR A 43 0.552 -9.069 4.763 1.00 0.00 O ATOM 630 CG2 THR A 43 -1.651 -9.631 4.118 1.00 0.00 C ATOM 0 H THR A 43 1.901 -8.394 3.054 1.00 0.00 H new ATOM 0 HA THR A 43 0.338 -10.619 2.457 1.00 0.00 H new ATOM 0 HB THR A 43 -0.589 -7.913 3.435 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.064 -9.323 5.574 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.025 -9.156 5.025 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.395 -9.538 3.326 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.459 -10.686 4.314 1.00 0.00 H new ATOM 638 N SER A 44 -0.261 -8.161 0.426 1.00 0.00 N ATOM 639 CA SER A 44 -0.927 -7.660 -0.788 1.00 0.00 C ATOM 640 C SER A 44 -2.457 -7.646 -0.660 1.00 0.00 C ATOM 641 O SER A 44 -3.185 -8.416 -1.292 1.00 0.00 O ATOM 642 CB SER A 44 -0.425 -8.400 -2.033 1.00 0.00 C ATOM 643 OG SER A 44 -0.760 -7.651 -3.194 1.00 0.00 O ATOM 0 H SER A 44 0.552 -7.593 0.664 1.00 0.00 H new ATOM 0 HA SER A 44 -0.648 -6.613 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.654 -8.540 -1.976 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.873 -9.392 -2.085 1.00 0.00 H new ATOM 0 HG SER A 44 -0.438 -8.122 -3.991 1.00 0.00 H new ATOM 649 N LEU A 45 -2.929 -6.750 0.214 1.00 0.00 N ATOM 650 CA LEU A 45 -4.330 -6.553 0.603 1.00 0.00 C ATOM 651 C LEU A 45 -5.230 -6.395 -0.636 1.00 0.00 C ATOM 652 O LEU A 45 -5.149 -5.393 -1.348 1.00 0.00 O ATOM 653 CB LEU A 45 -4.437 -5.358 1.581 1.00 0.00 C ATOM 654 CG LEU A 45 -3.567 -5.507 2.851 1.00 0.00 C ATOM 655 CD1 LEU A 45 -2.256 -4.716 2.718 1.00 0.00 C ATOM 656 CD2 LEU A 45 -4.289 -4.957 4.074 1.00 0.00 C ATOM 0 H LEU A 45 -2.305 -6.104 0.698 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.690 -7.438 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.146 -4.447 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.479 -5.237 1.878 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.366 -6.572 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.664 -4.838 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.692 -5.088 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.482 -3.660 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.656 -5.074 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.508 -3.900 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.221 -5.503 4.223 1.00 0.00 H new ATOM 668 N SER A 46 -6.014 -7.428 -0.954 1.00 0.00 N ATOM 669 CA SER A 46 -6.830 -7.512 -2.177 1.00 0.00 C ATOM 670 C SER A 46 -8.024 -8.457 -1.989 1.00 0.00 C ATOM 671 O SER A 46 -9.174 -8.014 -1.986 1.00 0.00 O ATOM 672 CB SER A 46 -5.946 -7.959 -3.354 1.00 0.00 C ATOM 673 OG SER A 46 -6.684 -8.005 -4.565 1.00 0.00 O ATOM 0 H SER A 46 -6.104 -8.250 -0.357 1.00 0.00 H new ATOM 0 HA SER A 46 -7.237 -6.525 -2.395 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.107 -7.272 -3.463 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.527 -8.943 -3.144 1.00 0.00 H new ATOM 0 HG SER A 46 -6.096 -8.290 -5.296 1.00 0.00 H new ATOM 679 N ALA A 47 -7.758 -9.752 -1.777 1.00 0.00 N ATOM 680 CA ALA A 47 -8.756 -10.798 -1.541 1.00 0.00 C ATOM 681 C ALA A 47 -8.798 -11.181 -0.050 1.00 0.00 C ATOM 682 O ALA A 47 -7.808 -11.662 0.507 1.00 0.00 O ATOM 683 CB ALA A 47 -8.436 -11.992 -2.449 1.00 0.00 C ATOM 0 H ALA A 47 -6.804 -10.112 -1.765 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.754 -10.436 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.171 -12.781 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.469 -11.676 -3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.440 -12.370 -2.216 1.00 0.00 H new ATOM 689 N GLY A 48 -9.932 -10.929 0.613 1.00 0.00 N ATOM 690 CA GLY A 48 -10.136 -11.218 2.040 1.00 0.00 C ATOM 691 C GLY A 48 -9.434 -10.253 3.012 1.00 0.00 C ATOM 692 O GLY A 48 -9.391 -10.532 4.212 1.00 0.00 O ATOM 0 H GLY A 48 -10.749 -10.511 0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.206 -11.203 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.786 -12.230 2.243 1.00 0.00 H new ATOM 696 N SER A 49 -8.886 -9.133 2.521 1.00 0.00 N ATOM 697 CA SER A 49 -8.237 -8.082 3.316 1.00 0.00 C ATOM 698 C SER A 49 -9.087 -6.807 3.355 1.00 0.00 C ATOM 699 O SER A 49 -10.090 -6.692 2.646 1.00 0.00 O ATOM 700 CB SER A 49 -6.877 -7.751 2.706 1.00 0.00 C ATOM 701 OG SER A 49 -6.032 -8.889 2.681 1.00 0.00 O ATOM 0 H SER A 49 -8.883 -8.927 1.522 1.00 0.00 H new ATOM 0 HA SER A 49 -8.120 -8.453 4.334 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.013 -7.374 1.692 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.402 -6.956 3.281 1.00 0.00 H new ATOM 0 HG SER A 49 -5.118 -8.623 2.913 1.00 0.00 H new ATOM 707 N ASP A 50 -8.685 -5.830 4.168 1.00 0.00 N ATOM 708 CA ASP A 50 -9.409 -4.578 4.360 1.00 0.00 C ATOM 709 C ASP A 50 -8.506 -3.425 4.836 1.00 0.00 C ATOM 710 O ASP A 50 -7.349 -3.586 5.226 1.00 0.00 O ATOM 711 CB ASP A 50 -10.586 -4.814 5.329 1.00 0.00 C ATOM 712 CG ASP A 50 -10.151 -5.395 6.685 1.00 0.00 C ATOM 713 OD1 ASP A 50 -9.485 -4.668 7.453 1.00 0.00 O ATOM 714 OD2 ASP A 50 -10.511 -6.558 6.990 1.00 0.00 O ATOM 0 H ASP A 50 -7.830 -5.890 4.721 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.794 -4.262 3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.105 -3.870 5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.300 -5.493 4.863 1.00 0.00 H new ATOM 719 N TRP A 51 -9.074 -2.225 4.791 1.00 0.00 N ATOM 720 CA TRP A 51 -8.512 -0.962 5.271 1.00 0.00 C ATOM 721 C TRP A 51 -8.125 -0.981 6.761 1.00 0.00 C ATOM 722 O TRP A 51 -7.150 -0.339 7.160 1.00 0.00 O ATOM 723 CB TRP A 51 -9.518 0.159 4.968 1.00 0.00 C ATOM 724 CG TRP A 51 -9.562 1.277 5.962 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.510 1.438 6.913 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.592 2.347 6.168 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.220 2.563 7.661 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.046 3.159 7.246 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.358 2.691 5.581 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.336 4.285 7.688 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.632 3.814 6.018 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.124 4.617 7.062 1.00 0.00 C ATOM 0 H TRP A 51 -10.004 -2.097 4.391 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.574 -0.788 4.744 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.284 0.577 3.989 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.513 -0.280 4.898 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.360 0.789 7.064 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -10.801 2.910 8.424 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.963 2.082 4.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.716 4.888 8.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.691 4.061 5.549 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.571 5.488 7.382 1.00 0.00 H new ATOM 743 N LEU A 52 -8.863 -1.709 7.603 1.00 0.00 N ATOM 744 CA LEU A 52 -8.566 -1.815 9.032 1.00 0.00 C ATOM 745 C LEU A 52 -7.195 -2.480 9.253 1.00 0.00 C ATOM 746 O LEU A 52 -6.369 -1.947 9.996 1.00 0.00 O ATOM 747 CB LEU A 52 -9.727 -2.529 9.760 1.00 0.00 C ATOM 748 CG LEU A 52 -10.165 -1.907 11.098 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.035 -1.859 12.127 1.00 0.00 C ATOM 750 CD2 LEU A 52 -10.759 -0.506 10.934 1.00 0.00 C ATOM 0 H LEU A 52 -9.683 -2.241 7.312 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.489 -0.820 9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.589 -2.552 9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.435 -3.564 9.941 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.944 -2.572 11.470 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.402 -1.411 13.050 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.684 -2.871 12.330 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.212 -1.261 11.736 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.050 -0.118 11.910 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.016 0.154 10.487 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.635 -0.556 10.287 1.00 0.00 H new ATOM 762 N THR A 53 -6.902 -3.586 8.560 1.00 0.00 N ATOM 763 CA THR A 53 -5.576 -4.228 8.594 1.00 0.00 C ATOM 764 C THR A 53 -4.516 -3.506 7.752 1.00 0.00 C ATOM 765 O THR A 53 -3.342 -3.547 8.119 1.00 0.00 O ATOM 766 CB THR A 53 -5.634 -5.714 8.208 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.170 -5.921 6.921 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.471 -6.525 9.198 1.00 0.00 C ATOM 0 H THR A 53 -7.574 -4.064 7.959 1.00 0.00 H new ATOM 0 HA THR A 53 -5.264 -4.151 9.636 1.00 0.00 H new ATOM 0 HB THR A 53 -4.598 -6.052 8.225 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.444 -5.061 6.539 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.487 -7.570 8.890 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.034 -6.447 10.193 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.489 -6.137 9.217 1.00 0.00 H new ATOM 776 N PHE A 54 -4.894 -2.770 6.696 1.00 0.00 N ATOM 777 CA PHE A 54 -3.999 -1.951 5.856 1.00 0.00 C ATOM 778 C PHE A 54 -3.149 -0.979 6.681 1.00 0.00 C ATOM 779 O PHE A 54 -1.934 -0.895 6.491 1.00 0.00 O ATOM 780 CB PHE A 54 -4.838 -1.185 4.821 1.00 0.00 C ATOM 781 CG PHE A 54 -4.097 -0.159 3.998 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.490 -0.532 2.788 1.00 0.00 C ATOM 783 CD2 PHE A 54 -4.045 1.180 4.431 1.00 0.00 C ATOM 784 CE1 PHE A 54 -2.779 0.426 2.046 1.00 0.00 C ATOM 785 CE2 PHE A 54 -3.357 2.139 3.671 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.698 1.755 2.493 1.00 0.00 C ATOM 0 H PHE A 54 -5.866 -2.725 6.390 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.304 -2.622 5.351 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.291 -1.908 4.142 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.653 -0.684 5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.569 -1.548 2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.535 1.469 5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.292 0.139 1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.335 3.170 3.992 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.129 2.481 1.931 1.00 0.00 H new ATOM 796 N GLN A 55 -3.780 -0.280 7.629 1.00 0.00 N ATOM 797 CA GLN A 55 -3.108 0.619 8.570 1.00 0.00 C ATOM 798 C GLN A 55 -2.028 -0.127 9.357 1.00 0.00 C ATOM 799 O GLN A 55 -0.846 0.190 9.239 1.00 0.00 O ATOM 800 CB GLN A 55 -4.141 1.238 9.517 1.00 0.00 C ATOM 801 CG GLN A 55 -5.079 2.209 8.797 1.00 0.00 C ATOM 802 CD GLN A 55 -6.372 2.348 9.583 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.508 3.142 10.504 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.350 1.533 9.274 1.00 0.00 N ATOM 0 H GLN A 55 -4.790 -0.324 7.766 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.619 1.416 8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.728 0.445 9.980 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.625 1.763 10.321 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.600 3.182 8.691 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.291 1.847 7.791 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.239 0.870 8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.223 1.561 9.801 1.00 0.00 H new ATOM 813 N LYS A 56 -2.421 -1.161 10.117 1.00 0.00 N ATOM 814 CA LYS A 56 -1.478 -1.958 10.936 1.00 0.00 C ATOM 815 C LYS A 56 -0.342 -2.610 10.121 1.00 0.00 C ATOM 816 O LYS A 56 0.729 -2.867 10.674 1.00 0.00 O ATOM 817 CB LYS A 56 -2.205 -3.030 11.774 1.00 0.00 C ATOM 818 CG LYS A 56 -3.052 -2.486 12.941 1.00 0.00 C ATOM 819 CD LYS A 56 -4.484 -2.093 12.541 1.00 0.00 C ATOM 820 CE LYS A 56 -5.321 -1.561 13.715 1.00 0.00 C ATOM 821 NZ LYS A 56 -5.606 -2.601 14.741 1.00 0.00 N ATOM 0 H LYS A 56 -3.390 -1.471 10.185 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.015 -1.235 11.607 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.853 -3.607 11.114 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.463 -3.720 12.175 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.099 -3.241 13.726 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.552 -1.615 13.365 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.440 -1.332 11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.984 -2.961 12.111 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.793 -0.730 14.184 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.263 -1.166 13.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.173 -2.186 15.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.134 -3.384 14.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.711 -2.961 15.128 1.00 0.00 H new ATOM 835 N LYS A 57 -0.546 -2.856 8.819 1.00 0.00 N ATOM 836 CA LYS A 57 0.433 -3.458 7.894 1.00 0.00 C ATOM 837 C LYS A 57 1.666 -2.581 7.630 1.00 0.00 C ATOM 838 O LYS A 57 2.795 -3.053 7.767 1.00 0.00 O ATOM 839 CB LYS A 57 -0.278 -3.854 6.577 1.00 0.00 C ATOM 840 CG LYS A 57 -0.331 -5.378 6.410 1.00 0.00 C ATOM 841 CD LYS A 57 1.058 -5.954 6.092 1.00 0.00 C ATOM 842 CE LYS A 57 1.416 -7.068 7.083 1.00 0.00 C ATOM 843 NZ LYS A 57 2.726 -7.688 6.757 1.00 0.00 N ATOM 0 H LYS A 57 -1.430 -2.634 8.361 1.00 0.00 H new ATOM 0 HA LYS A 57 0.828 -4.349 8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.290 -3.450 6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.247 -3.411 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.715 -5.833 7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.025 -5.634 5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.072 -6.346 5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.806 -5.163 6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.447 -6.661 8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.638 -7.831 7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.937 -8.437 7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.688 -8.098 5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.472 -6.964 6.794 1.00 0.00 H new ATOM 857 N HIS A 58 1.456 -1.336 7.196 1.00 0.00 N ATOM 858 CA HIS A 58 2.514 -0.434 6.692 1.00 0.00 C ATOM 859 C HIS A 58 2.305 1.067 6.982 1.00 0.00 C ATOM 860 O HIS A 58 2.926 1.929 6.362 1.00 0.00 O ATOM 861 CB HIS A 58 2.814 -0.766 5.215 1.00 0.00 C ATOM 862 CG HIS A 58 1.668 -1.154 4.297 1.00 0.00 C ATOM 863 ND1 HIS A 58 1.780 -2.048 3.243 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.365 -0.736 4.347 1.00 0.00 C ATOM 865 CE1 HIS A 58 0.569 -2.170 2.669 1.00 0.00 C ATOM 866 NE2 HIS A 58 -0.305 -1.377 3.322 1.00 0.00 N ATOM 0 H HIS A 58 0.529 -0.911 7.182 1.00 0.00 H new ATOM 0 HA HIS A 58 3.411 -0.636 7.277 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.306 0.102 4.777 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.536 -1.582 5.202 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -0.059 -0.038 5.054 1.00 0.00 H new ATOM 0 HE1 HIS A 58 0.335 -2.800 1.824 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -1.294 -1.269 3.097 1.00 0.00 H new ATOM 875 N ILE A 59 1.474 1.399 7.967 1.00 0.00 N ATOM 876 CA ILE A 59 1.259 2.774 8.471 1.00 0.00 C ATOM 877 C ILE A 59 1.466 2.806 9.994 1.00 0.00 C ATOM 878 O ILE A 59 1.229 1.819 10.690 1.00 0.00 O ATOM 879 CB ILE A 59 -0.129 3.325 8.038 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.317 3.143 6.509 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.304 4.802 8.444 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.347 4.049 5.824 1.00 0.00 C ATOM 0 H ILE A 59 0.910 0.706 8.458 1.00 0.00 H new ATOM 0 HA ILE A 59 1.996 3.440 8.024 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.899 2.756 8.558 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.648 3.302 6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.600 2.107 6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.285 5.153 8.125 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.220 4.894 9.527 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.469 5.404 7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.381 3.821 4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.330 3.879 6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.063 5.092 5.963 1.00 0.00 H new ATOM 894 N THR A 60 1.912 3.947 10.524 1.00 0.00 N ATOM 895 CA THR A 60 1.990 4.197 11.974 1.00 0.00 C ATOM 896 C THR A 60 1.615 5.631 12.358 1.00 0.00 C ATOM 897 O THR A 60 1.826 6.573 11.593 1.00 0.00 O ATOM 898 CB THR A 60 3.379 3.826 12.517 1.00 0.00 C ATOM 899 OG1 THR A 60 3.360 3.982 13.918 1.00 0.00 O ATOM 900 CG2 THR A 60 4.526 4.670 11.953 1.00 0.00 C ATOM 0 H THR A 60 2.233 4.733 9.958 1.00 0.00 H new ATOM 0 HA THR A 60 1.246 3.552 12.441 1.00 0.00 H new ATOM 0 HB THR A 60 3.571 2.799 12.207 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.215 4.355 14.217 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.469 4.341 12.390 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.567 4.551 10.870 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.360 5.719 12.197 1.00 0.00 H new ATOM 908 N ASN A 61 1.101 5.808 13.580 1.00 0.00 N ATOM 909 CA ASN A 61 0.866 7.097 14.225 1.00 0.00 C ATOM 910 C ASN A 61 2.127 7.659 14.926 1.00 0.00 C ATOM 911 O ASN A 61 2.087 8.769 15.456 1.00 0.00 O ATOM 912 CB ASN A 61 -0.319 6.930 15.194 1.00 0.00 C ATOM 913 CG ASN A 61 -0.032 6.000 16.364 1.00 0.00 C ATOM 914 OD1 ASN A 61 0.610 6.362 17.338 1.00 0.00 O ATOM 915 ND2 ASN A 61 -0.494 4.771 16.308 1.00 0.00 N ATOM 0 H ASN A 61 0.827 5.021 14.168 1.00 0.00 H new ATOM 0 HA ASN A 61 0.622 7.841 13.467 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.600 7.909 15.581 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.177 6.548 14.641 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.316 4.124 17.076 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.031 4.464 15.497 1.00 0.00 H new ATOM 922 N THR A 62 3.235 6.907 14.939 1.00 0.00 N ATOM 923 CA THR A 62 4.541 7.289 15.505 1.00 0.00 C ATOM 924 C THR A 62 5.661 6.388 14.962 1.00 0.00 C ATOM 925 O THR A 62 5.628 5.167 15.139 1.00 0.00 O ATOM 926 CB THR A 62 4.500 7.263 17.046 1.00 0.00 C ATOM 927 OG1 THR A 62 5.756 7.658 17.558 1.00 0.00 O ATOM 928 CG2 THR A 62 4.122 5.918 17.680 1.00 0.00 C ATOM 0 H THR A 62 3.249 5.970 14.536 1.00 0.00 H new ATOM 0 HA THR A 62 4.759 8.311 15.194 1.00 0.00 H new ATOM 0 HB THR A 62 3.701 7.955 17.313 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.729 7.643 18.538 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.124 6.014 18.766 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.128 5.624 17.344 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.845 5.159 17.382 1.00 0.00 H new ATOM 936 N ARG A 63 6.653 6.947 14.252 1.00 0.00 N ATOM 937 CA ARG A 63 7.826 6.178 13.804 1.00 0.00 C ATOM 938 C ARG A 63 8.717 5.775 14.988 1.00 0.00 C ATOM 939 O ARG A 63 9.540 6.559 15.461 1.00 0.00 O ATOM 940 CB ARG A 63 8.617 6.935 12.726 1.00 0.00 C ATOM 941 CG ARG A 63 9.685 5.998 12.131 1.00 0.00 C ATOM 942 CD ARG A 63 10.586 6.699 11.116 1.00 0.00 C ATOM 943 NE ARG A 63 11.543 7.615 11.770 1.00 0.00 N ATOM 944 CZ ARG A 63 11.514 8.936 11.838 1.00 0.00 C ATOM 945 NH1 ARG A 63 10.579 9.644 11.270 1.00 0.00 N ATOM 946 NH2 ARG A 63 12.438 9.579 12.491 1.00 0.00 N ATOM 0 H ARG A 63 6.667 7.929 13.975 1.00 0.00 H new ATOM 0 HA ARG A 63 7.461 5.258 13.347 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.945 7.284 11.942 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.090 7.818 13.157 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.298 5.595 12.937 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.193 5.152 11.651 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.133 5.953 10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.972 7.259 10.411 1.00 0.00 H new ATOM 0 HE ARG A 63 12.335 7.168 12.232 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.834 9.181 10.750 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.592 10.661 11.346 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.188 9.065 12.953 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.412 10.597 12.541 1.00 0.00 H new ATOM 960 N ASP A 64 8.580 4.524 15.422 1.00 0.00 N ATOM 961 CA ASP A 64 9.417 3.876 16.446 1.00 0.00 C ATOM 962 C ASP A 64 10.385 2.820 15.862 1.00 0.00 C ATOM 963 O ASP A 64 11.106 2.134 16.592 1.00 0.00 O ATOM 964 CB ASP A 64 8.482 3.299 17.525 1.00 0.00 C ATOM 965 CG ASP A 64 9.215 2.875 18.811 1.00 0.00 C ATOM 966 OD1 ASP A 64 9.924 3.717 19.413 1.00 0.00 O ATOM 967 OD2 ASP A 64 9.034 1.717 19.258 1.00 0.00 O ATOM 0 H ASP A 64 7.856 3.904 15.059 1.00 0.00 H new ATOM 0 HA ASP A 64 10.078 4.618 16.893 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.727 4.044 17.776 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.956 2.437 17.115 1.00 0.00 H new ATOM 972 N VAL A 65 10.416 2.681 14.530 1.00 0.00 N ATOM 973 CA VAL A 65 11.259 1.727 13.794 1.00 0.00 C ATOM 974 C VAL A 65 12.723 2.191 13.748 1.00 0.00 C ATOM 975 O VAL A 65 13.009 3.360 13.491 1.00 0.00 O ATOM 976 CB VAL A 65 10.696 1.537 12.370 1.00 0.00 C ATOM 977 CG1 VAL A 65 11.617 0.704 11.472 1.00 0.00 C ATOM 978 CG2 VAL A 65 9.335 0.831 12.436 1.00 0.00 C ATOM 0 H VAL A 65 9.835 3.249 13.913 1.00 0.00 H new ATOM 0 HA VAL A 65 11.242 0.771 14.317 1.00 0.00 H new ATOM 0 HB VAL A 65 10.607 2.534 11.940 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.169 0.604 10.484 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.584 1.199 11.383 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.754 -0.285 11.909 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.944 0.700 11.427 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.453 -0.144 12.908 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.640 1.435 13.019 1.00 0.00 H new ATOM 988 N ASP A 66 13.651 1.243 13.929 1.00 0.00 N ATOM 989 CA ASP A 66 15.111 1.434 13.829 1.00 0.00 C ATOM 990 C ASP A 66 15.791 0.436 12.858 1.00 0.00 C ATOM 991 O ASP A 66 17.014 0.417 12.725 1.00 0.00 O ATOM 992 CB ASP A 66 15.703 1.361 15.246 1.00 0.00 C ATOM 993 CG ASP A 66 17.143 1.904 15.334 1.00 0.00 C ATOM 994 OD1 ASP A 66 17.381 3.067 14.924 1.00 0.00 O ATOM 995 OD2 ASP A 66 18.032 1.198 15.870 1.00 0.00 O ATOM 0 H ASP A 66 13.399 0.282 14.159 1.00 0.00 H new ATOM 0 HA ASP A 66 15.309 2.414 13.396 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.067 1.926 15.928 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.692 0.325 15.584 1.00 0.00 H new ATOM 1000 N CYS A 67 14.994 -0.396 12.168 1.00 0.00 N ATOM 1001 CA CYS A 67 15.415 -1.452 11.228 1.00 0.00 C ATOM 1002 C CYS A 67 16.427 -2.452 11.842 1.00 0.00 C ATOM 1003 O CYS A 67 17.348 -2.935 11.184 1.00 0.00 O ATOM 1004 CB CYS A 67 15.847 -0.815 9.897 1.00 0.00 C ATOM 1005 SG CYS A 67 14.711 0.476 9.307 1.00 0.00 S ATOM 0 H CYS A 67 13.979 -0.348 12.255 1.00 0.00 H new ATOM 0 HA CYS A 67 14.560 -2.091 11.007 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.842 -0.386 10.015 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.924 -1.594 9.139 1.00 0.00 H new ATOM 1010 N ASP A 68 16.241 -2.740 13.135 1.00 0.00 N ATOM 1011 CA ASP A 68 17.115 -3.527 14.016 1.00 0.00 C ATOM 1012 C ASP A 68 16.341 -4.192 15.177 1.00 0.00 C ATOM 1013 O ASP A 68 16.724 -5.262 15.648 1.00 0.00 O ATOM 1014 CB ASP A 68 18.193 -2.591 14.583 1.00 0.00 C ATOM 1015 CG ASP A 68 19.322 -3.372 15.271 1.00 0.00 C ATOM 1016 OD1 ASP A 68 20.177 -3.937 14.551 1.00 0.00 O ATOM 1017 OD2 ASP A 68 19.357 -3.423 16.523 1.00 0.00 O ATOM 0 H ASP A 68 15.415 -2.405 13.631 1.00 0.00 H new ATOM 0 HA ASP A 68 17.558 -4.332 13.430 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.608 -1.985 13.778 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.739 -1.904 15.297 1.00 0.00 H new ATOM 1022 N ASN A 69 15.217 -3.601 15.603 1.00 0.00 N ATOM 1023 CA ASN A 69 14.348 -4.073 16.689 1.00 0.00 C ATOM 1024 C ASN A 69 12.937 -4.493 16.234 1.00 0.00 C ATOM 1025 O ASN A 69 12.111 -4.888 17.055 1.00 0.00 O ATOM 1026 CB ASN A 69 14.355 -3.034 17.825 1.00 0.00 C ATOM 1027 CG ASN A 69 13.991 -1.598 17.471 1.00 0.00 C ATOM 1028 OD1 ASN A 69 14.639 -0.658 17.908 1.00 0.00 O ATOM 1029 ND2 ASN A 69 12.957 -1.344 16.701 1.00 0.00 N ATOM 0 H ASN A 69 14.872 -2.739 15.179 1.00 0.00 H new ATOM 0 HA ASN A 69 14.760 -5.007 17.072 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.664 -3.375 18.596 1.00 0.00 H new ATOM 0 HB3 ASN A 69 15.351 -3.028 18.269 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.711 -0.379 16.480 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.401 -2.112 16.324 1.00 0.00 H new ATOM 1036 N ILE A 70 12.658 -4.471 14.924 1.00 0.00 N ATOM 1037 CA ILE A 70 11.401 -4.958 14.310 1.00 0.00 C ATOM 1038 C ILE A 70 11.169 -6.470 14.495 1.00 0.00 C ATOM 1039 O ILE A 70 10.076 -6.974 14.257 1.00 0.00 O ATOM 1040 CB ILE A 70 11.332 -4.550 12.824 1.00 0.00 C ATOM 1041 CG1 ILE A 70 12.389 -5.290 11.971 1.00 0.00 C ATOM 1042 CG2 ILE A 70 11.449 -3.016 12.735 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.534 -4.740 10.555 1.00 0.00 C ATOM 0 H ILE A 70 13.316 -4.104 14.236 1.00 0.00 H new ATOM 0 HA ILE A 70 10.585 -4.473 14.846 1.00 0.00 H new ATOM 0 HB ILE A 70 10.373 -4.851 12.402 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.354 -5.231 12.474 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.123 -6.346 11.915 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.402 -2.708 11.691 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.629 -2.556 13.286 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.399 -2.698 13.165 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.293 -5.310 10.019 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.581 -4.824 10.033 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.832 -3.692 10.600 1.00 0.00 H new ATOM 1055 N MET A 71 12.172 -7.185 15.015 1.00 0.00 N ATOM 1056 CA MET A 71 12.035 -8.527 15.600 1.00 0.00 C ATOM 1057 C MET A 71 10.959 -8.589 16.709 1.00 0.00 C ATOM 1058 O MET A 71 10.338 -9.632 16.913 1.00 0.00 O ATOM 1059 CB MET A 71 13.411 -8.953 16.138 1.00 0.00 C ATOM 1060 CG MET A 71 13.473 -10.414 16.589 1.00 0.00 C ATOM 1061 SD MET A 71 15.143 -10.937 17.066 1.00 0.00 S ATOM 1062 CE MET A 71 14.776 -12.621 17.630 1.00 0.00 C ATOM 0 H MET A 71 13.131 -6.838 15.042 1.00 0.00 H new ATOM 0 HA MET A 71 11.697 -9.216 14.826 1.00 0.00 H new ATOM 0 HB2 MET A 71 14.160 -8.790 15.363 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.677 -8.312 16.978 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.798 -10.557 17.433 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.114 -11.053 15.782 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.696 -13.101 17.964 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.066 -12.581 18.456 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.345 -13.194 16.809 1.00 0.00 H new ATOM 1072 N SER A 72 10.714 -7.468 17.402 1.00 0.00 N ATOM 1073 CA SER A 72 9.718 -7.310 18.473 1.00 0.00 C ATOM 1074 C SER A 72 8.345 -6.794 17.990 1.00 0.00 C ATOM 1075 O SER A 72 7.430 -6.642 18.803 1.00 0.00 O ATOM 1076 CB SER A 72 10.301 -6.370 19.540 1.00 0.00 C ATOM 1077 OG SER A 72 9.619 -6.493 20.779 1.00 0.00 O ATOM 0 H SER A 72 11.229 -6.606 17.223 1.00 0.00 H new ATOM 0 HA SER A 72 9.520 -8.301 18.882 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.358 -6.594 19.683 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.238 -5.339 19.191 1.00 0.00 H new ATOM 0 HG SER A 72 8.657 -6.586 20.615 1.00 0.00 H new ATOM 1083 N THR A 73 8.169 -6.524 16.689 1.00 0.00 N ATOM 1084 CA THR A 73 6.916 -6.023 16.079 1.00 0.00 C ATOM 1085 C THR A 73 6.314 -7.052 15.109 1.00 0.00 C ATOM 1086 O THR A 73 6.813 -8.171 14.986 1.00 0.00 O ATOM 1087 CB THR A 73 7.121 -4.660 15.386 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.873 -4.808 14.204 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.829 -3.627 16.264 1.00 0.00 C ATOM 0 H THR A 73 8.915 -6.650 16.005 1.00 0.00 H new ATOM 0 HA THR A 73 6.203 -5.872 16.890 1.00 0.00 H new ATOM 0 HB THR A 73 6.116 -4.296 15.172 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.530 -5.526 14.322 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.939 -2.694 15.711 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.240 -3.449 17.164 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.814 -4.001 16.544 1.00 0.00 H new ATOM 1097 N ASN A 74 5.224 -6.703 14.411 1.00 0.00 N ATOM 1098 CA ASN A 74 4.587 -7.570 13.402 1.00 0.00 C ATOM 1099 C ASN A 74 5.485 -7.863 12.178 1.00 0.00 C ATOM 1100 O ASN A 74 5.191 -8.769 11.399 1.00 0.00 O ATOM 1101 CB ASN A 74 3.273 -6.923 12.919 1.00 0.00 C ATOM 1102 CG ASN A 74 2.328 -6.537 14.042 1.00 0.00 C ATOM 1103 OD1 ASN A 74 1.767 -7.372 14.739 1.00 0.00 O ATOM 1104 ND2 ASN A 74 2.126 -5.255 14.248 1.00 0.00 N ATOM 0 H ASN A 74 4.754 -5.805 14.529 1.00 0.00 H new ATOM 0 HA ASN A 74 4.399 -8.525 13.893 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.511 -6.033 12.336 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.763 -7.616 12.250 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.499 -4.951 14.992 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.597 -4.564 13.664 1.00 0.00 H new ATOM 1111 N LEU A 75 6.558 -7.088 11.981 1.00 0.00 N ATOM 1112 CA LEU A 75 7.336 -6.985 10.741 1.00 0.00 C ATOM 1113 C LEU A 75 8.648 -7.803 10.745 1.00 0.00 C ATOM 1114 O LEU A 75 9.524 -7.582 9.905 1.00 0.00 O ATOM 1115 CB LEU A 75 7.583 -5.487 10.457 1.00 0.00 C ATOM 1116 CG LEU A 75 6.363 -4.557 10.265 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.214 -5.209 9.495 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.832 -3.949 11.562 1.00 0.00 C ATOM 0 H LEU A 75 6.925 -6.486 12.718 1.00 0.00 H new ATOM 0 HA LEU A 75 6.755 -7.435 9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.177 -5.088 11.280 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.196 -5.418 9.559 1.00 0.00 H new ATOM 0 HG LEU A 75 6.763 -3.744 9.659 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.392 -4.499 9.398 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.560 -5.501 8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.869 -6.092 10.034 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.977 -3.310 11.341 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.524 -4.746 12.238 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.616 -3.356 12.034 1.00 0.00 H new ATOM 1130 N PHE A 76 8.770 -8.769 11.659 1.00 0.00 N ATOM 1131 CA PHE A 76 9.940 -9.608 11.970 1.00 0.00 C ATOM 1132 C PHE A 76 10.317 -10.615 10.873 1.00 0.00 C ATOM 1133 O PHE A 76 11.354 -11.272 10.954 1.00 0.00 O ATOM 1134 CB PHE A 76 9.662 -10.362 13.281 1.00 0.00 C ATOM 1135 CG PHE A 76 8.623 -11.471 13.190 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.254 -11.186 13.355 1.00 0.00 C ATOM 1137 CD2 PHE A 76 9.029 -12.799 12.958 1.00 0.00 C ATOM 1138 CE1 PHE A 76 6.300 -12.218 13.305 1.00 0.00 C ATOM 1139 CE2 PHE A 76 8.076 -13.834 12.902 1.00 0.00 C ATOM 1140 CZ PHE A 76 6.711 -13.544 13.083 1.00 0.00 C ATOM 0 H PHE A 76 7.981 -9.009 12.258 1.00 0.00 H new ATOM 0 HA PHE A 76 10.793 -8.934 12.055 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.598 -10.793 13.638 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.335 -9.642 14.032 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.934 -10.168 13.521 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.076 -13.025 12.822 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.252 -11.992 13.437 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.393 -14.850 12.720 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.980 -14.339 13.051 1.00 0.00 H new ATOM 1150 N HIS A 77 9.473 -10.737 9.844 1.00 0.00 N ATOM 1151 CA HIS A 77 9.495 -11.737 8.761 1.00 0.00 C ATOM 1152 C HIS A 77 10.734 -11.703 7.839 1.00 0.00 C ATOM 1153 O HIS A 77 10.796 -12.466 6.875 1.00 0.00 O ATOM 1154 CB HIS A 77 8.191 -11.564 7.961 1.00 0.00 C ATOM 1155 CG HIS A 77 6.951 -11.789 8.792 1.00 0.00 C ATOM 1156 ND1 HIS A 77 6.535 -12.997 9.322 1.00 0.00 N ATOM 1157 CD2 HIS A 77 6.069 -10.822 9.186 1.00 0.00 C ATOM 1158 CE1 HIS A 77 5.415 -12.763 10.036 1.00 0.00 C ATOM 1159 NE2 HIS A 77 5.118 -11.447 9.971 1.00 0.00 N ATOM 0 H HIS A 77 8.693 -10.089 9.734 1.00 0.00 H new ATOM 0 HA HIS A 77 9.567 -12.721 9.223 1.00 0.00 H new ATOM 0 HB2 HIS A 77 8.161 -10.559 7.540 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.191 -12.261 7.123 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.108 -9.773 8.933 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.847 -13.508 10.573 1.00 0.00 H new ATOM 0 HE2 HIS A 77 4.326 -10.991 10.424 1.00 0.00 H new ATOM 1168 N CYS A 78 11.706 -10.822 8.103 1.00 0.00 N ATOM 1169 CA CYS A 78 12.928 -10.601 7.300 1.00 0.00 C ATOM 1170 C CYS A 78 12.655 -10.236 5.819 1.00 0.00 C ATOM 1171 O CYS A 78 13.450 -10.530 4.921 1.00 0.00 O ATOM 1172 CB CYS A 78 13.875 -11.804 7.449 1.00 0.00 C ATOM 1173 SG CYS A 78 15.622 -11.472 7.070 1.00 0.00 S ATOM 0 H CYS A 78 11.666 -10.212 8.919 1.00 0.00 H new ATOM 0 HA CYS A 78 13.420 -9.715 7.702 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.807 -12.174 8.472 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.525 -12.604 6.796 1.00 0.00 H new ATOM 1178 N LYS A 79 11.500 -9.612 5.552 1.00 0.00 N ATOM 1179 CA LYS A 79 11.080 -9.139 4.222 1.00 0.00 C ATOM 1180 C LYS A 79 12.060 -8.110 3.635 1.00 0.00 C ATOM 1181 O LYS A 79 12.759 -7.417 4.374 1.00 0.00 O ATOM 1182 CB LYS A 79 9.612 -8.661 4.272 1.00 0.00 C ATOM 1183 CG LYS A 79 9.243 -7.706 5.425 1.00 0.00 C ATOM 1184 CD LYS A 79 9.805 -6.283 5.267 1.00 0.00 C ATOM 1185 CE LYS A 79 10.737 -5.823 6.402 1.00 0.00 C ATOM 1186 NZ LYS A 79 10.015 -5.626 7.688 1.00 0.00 N ATOM 0 H LYS A 79 10.809 -9.415 6.276 1.00 0.00 H new ATOM 0 HA LYS A 79 11.115 -9.972 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.382 -8.164 3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.969 -9.538 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.157 -7.650 5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.608 -8.127 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.349 -6.226 4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.971 -5.585 5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.526 -6.562 6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.221 -4.890 6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.437 -4.828 8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.013 -5.424 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.090 -6.489 8.264 1.00 0.00 H new ATOM 1200 N ASP A 80 12.095 -7.999 2.307 1.00 0.00 N ATOM 1201 CA ASP A 80 13.094 -7.213 1.560 1.00 0.00 C ATOM 1202 C ASP A 80 13.040 -5.694 1.813 1.00 0.00 C ATOM 1203 O ASP A 80 14.086 -5.042 1.834 1.00 0.00 O ATOM 1204 CB ASP A 80 12.998 -7.526 0.056 1.00 0.00 C ATOM 1205 CG ASP A 80 11.814 -6.844 -0.652 1.00 0.00 C ATOM 1206 OD1 ASP A 80 10.678 -6.909 -0.130 1.00 0.00 O ATOM 1207 OD2 ASP A 80 12.029 -6.255 -1.738 1.00 0.00 O ATOM 0 H ASP A 80 11.417 -8.461 1.701 1.00 0.00 H new ATOM 0 HA ASP A 80 14.065 -7.525 1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.924 -7.217 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.914 -8.605 -0.075 1.00 0.00 H new ATOM 1212 N LYS A 81 11.844 -5.136 2.038 1.00 0.00 N ATOM 1213 CA LYS A 81 11.608 -3.773 2.549 1.00 0.00 C ATOM 1214 C LYS A 81 10.199 -3.592 3.118 1.00 0.00 C ATOM 1215 O LYS A 81 9.278 -4.324 2.756 1.00 0.00 O ATOM 1216 CB LYS A 81 11.870 -2.714 1.451 1.00 0.00 C ATOM 1217 CG LYS A 81 11.170 -3.005 0.114 1.00 0.00 C ATOM 1218 CD LYS A 81 11.125 -1.791 -0.833 1.00 0.00 C ATOM 1219 CE LYS A 81 10.211 -0.646 -0.364 1.00 0.00 C ATOM 1220 NZ LYS A 81 8.767 -0.962 -0.521 1.00 0.00 N ATOM 0 H LYS A 81 10.975 -5.641 1.863 1.00 0.00 H new ATOM 0 HA LYS A 81 12.314 -3.627 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.542 -1.741 1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.944 -2.644 1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.684 -3.826 -0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.152 -3.340 0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.137 -1.404 -0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.791 -2.125 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.419 -0.427 0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.445 0.255 -0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.198 -0.228 -0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.527 -0.995 -1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.565 -1.885 -0.087 1.00 0.00 H new ATOM 1234 N ASN A 82 10.013 -2.570 3.955 1.00 0.00 N ATOM 1235 CA ASN A 82 8.697 -2.035 4.332 1.00 0.00 C ATOM 1236 C ASN A 82 8.695 -0.507 4.181 1.00 0.00 C ATOM 1237 O ASN A 82 9.561 0.175 4.732 1.00 0.00 O ATOM 1238 CB ASN A 82 8.324 -2.474 5.761 1.00 0.00 C ATOM 1239 CG ASN A 82 6.856 -2.231 6.108 1.00 0.00 C ATOM 1240 OD1 ASN A 82 6.215 -1.295 5.658 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.261 -3.090 6.906 1.00 0.00 N ATOM 0 H ASN A 82 10.787 -2.078 4.401 1.00 0.00 H new ATOM 0 HA ASN A 82 7.936 -2.439 3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.546 -3.535 5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.951 -1.938 6.473 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.276 -2.969 7.142 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.784 -3.877 7.289 1.00 0.00 H new ATOM 1248 N THR A 83 7.739 0.018 3.416 1.00 0.00 N ATOM 1249 CA THR A 83 7.469 1.453 3.291 1.00 0.00 C ATOM 1250 C THR A 83 6.493 1.899 4.385 1.00 0.00 C ATOM 1251 O THR A 83 5.278 1.777 4.223 1.00 0.00 O ATOM 1252 CB THR A 83 6.878 1.768 1.910 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.723 1.291 0.887 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.718 3.272 1.727 1.00 0.00 C ATOM 0 H THR A 83 7.114 -0.556 2.851 1.00 0.00 H new ATOM 0 HA THR A 83 8.408 1.994 3.404 1.00 0.00 H new ATOM 0 HB THR A 83 5.906 1.278 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.492 1.891 0.792 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.298 3.476 0.742 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.050 3.663 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.692 3.755 1.813 1.00 0.00 H new ATOM 1262 N PHE A 84 7.006 2.412 5.503 1.00 0.00 N ATOM 1263 CA PHE A 84 6.177 2.943 6.589 1.00 0.00 C ATOM 1264 C PHE A 84 5.738 4.384 6.306 1.00 0.00 C ATOM 1265 O PHE A 84 6.566 5.260 6.044 1.00 0.00 O ATOM 1266 CB PHE A 84 6.904 2.875 7.938 1.00 0.00 C ATOM 1267 CG PHE A 84 7.305 1.483 8.374 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.313 0.526 8.663 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.667 1.152 8.500 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.684 -0.753 9.113 1.00 0.00 C ATOM 1271 CE2 PHE A 84 9.032 -0.156 8.872 1.00 0.00 C ATOM 1272 CZ PHE A 84 8.044 -1.098 9.211 1.00 0.00 C ATOM 0 H PHE A 84 8.008 2.472 5.683 1.00 0.00 H new ATOM 0 HA PHE A 84 5.289 2.314 6.643 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.799 3.495 7.884 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.261 3.309 8.704 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.269 0.774 8.539 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.427 1.896 8.313 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.924 -1.471 9.384 1.00 0.00 H new ATOM 0 HE2 PHE A 84 10.074 -0.437 8.897 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.329 -2.084 9.546 1.00 0.00 H new ATOM 1282 N ILE A 85 4.435 4.638 6.398 1.00 0.00 N ATOM 1283 CA ILE A 85 3.830 5.971 6.317 1.00 0.00 C ATOM 1284 C ILE A 85 3.583 6.463 7.749 1.00 0.00 C ATOM 1285 O ILE A 85 2.798 5.861 8.482 1.00 0.00 O ATOM 1286 CB ILE A 85 2.532 5.884 5.481 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.831 5.488 4.015 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.742 7.201 5.513 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.603 4.917 3.297 1.00 0.00 C ATOM 0 H ILE A 85 3.746 3.899 6.536 1.00 0.00 H new ATOM 0 HA ILE A 85 4.483 6.688 5.819 1.00 0.00 H new ATOM 0 HB ILE A 85 1.919 5.106 5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.191 6.362 3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.633 4.750 3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.838 7.097 4.914 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.470 7.437 6.542 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.357 8.004 5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.869 4.656 2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.257 4.026 3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.808 5.663 3.287 1.00 0.00 H new ATOM 1301 N TYR A 86 4.263 7.529 8.176 1.00 0.00 N ATOM 1302 CA TYR A 86 4.001 8.196 9.456 1.00 0.00 C ATOM 1303 C TYR A 86 2.936 9.296 9.275 1.00 0.00 C ATOM 1304 O TYR A 86 3.254 10.462 9.024 1.00 0.00 O ATOM 1305 CB TYR A 86 5.330 8.631 10.094 1.00 0.00 C ATOM 1306 CG TYR A 86 5.264 9.486 11.351 1.00 0.00 C ATOM 1307 CD1 TYR A 86 4.142 9.461 12.207 1.00 0.00 C ATOM 1308 CD2 TYR A 86 6.348 10.333 11.656 1.00 0.00 C ATOM 1309 CE1 TYR A 86 4.082 10.327 13.313 1.00 0.00 C ATOM 1310 CE2 TYR A 86 6.301 11.180 12.779 1.00 0.00 C ATOM 1311 CZ TYR A 86 5.159 11.190 13.606 1.00 0.00 C ATOM 1312 OH TYR A 86 5.105 12.027 14.679 1.00 0.00 O ATOM 0 H TYR A 86 5.017 7.958 7.640 1.00 0.00 H new ATOM 0 HA TYR A 86 3.557 7.513 10.180 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.899 7.732 10.329 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.898 9.181 9.344 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.330 8.777 12.012 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.223 10.332 11.022 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.205 10.332 13.943 1.00 0.00 H new ATOM 0 HE2 TYR A 86 7.139 11.822 13.007 1.00 0.00 H new ATOM 0 HH TYR A 86 5.934 12.548 14.730 1.00 0.00 H new ATOM 1322 N SER A 87 1.664 8.889 9.396 1.00 0.00 N ATOM 1323 CA SER A 87 0.452 9.720 9.244 1.00 0.00 C ATOM 1324 C SER A 87 -0.676 9.298 10.200 1.00 0.00 C ATOM 1325 O SER A 87 -0.677 8.188 10.739 1.00 0.00 O ATOM 1326 CB SER A 87 -0.098 9.610 7.813 1.00 0.00 C ATOM 1327 OG SER A 87 0.840 10.082 6.870 1.00 0.00 O ATOM 0 H SER A 87 1.437 7.919 9.614 1.00 0.00 H new ATOM 0 HA SER A 87 0.756 10.741 9.476 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.347 8.571 7.595 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.021 10.183 7.730 1.00 0.00 H new ATOM 0 HG SER A 87 0.562 10.963 6.545 1.00 0.00 H new ATOM 1333 N ARG A 88 -1.695 10.155 10.356 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.017 9.786 10.894 1.00 0.00 C ATOM 1335 C ARG A 88 -3.825 8.990 9.856 1.00 0.00 C ATOM 1336 O ARG A 88 -3.503 9.062 8.669 1.00 0.00 O ATOM 1337 CB ARG A 88 -3.762 11.073 11.291 1.00 0.00 C ATOM 1338 CG ARG A 88 -3.283 11.586 12.655 1.00 0.00 C ATOM 1339 CD ARG A 88 -4.097 12.817 13.063 1.00 0.00 C ATOM 1340 NE ARG A 88 -3.952 13.102 14.504 1.00 0.00 N ATOM 1341 CZ ARG A 88 -4.783 13.783 15.274 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -5.883 14.313 14.818 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -4.518 13.940 16.541 1.00 0.00 N ATOM 0 H ARG A 88 -1.625 11.142 10.108 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.891 9.149 11.770 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.601 11.839 10.533 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.834 10.881 11.327 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.390 10.803 13.406 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.224 11.839 12.607 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.769 13.681 12.484 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.149 12.655 12.826 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.116 12.732 14.957 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.129 14.209 13.834 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.498 14.831 15.446 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.669 13.537 16.938 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.159 14.466 17.135 1.00 0.00 H new ATOM 1357 N PRO A 89 -4.909 8.295 10.248 1.00 0.00 N ATOM 1358 CA PRO A 89 -5.788 7.607 9.300 1.00 0.00 C ATOM 1359 C PRO A 89 -6.686 8.548 8.477 1.00 0.00 C ATOM 1360 O PRO A 89 -7.101 8.187 7.379 1.00 0.00 O ATOM 1361 CB PRO A 89 -6.621 6.657 10.164 1.00 0.00 C ATOM 1362 CG PRO A 89 -6.687 7.356 11.521 1.00 0.00 C ATOM 1363 CD PRO A 89 -5.315 8.016 11.622 1.00 0.00 C ATOM 0 HA PRO A 89 -5.198 7.092 8.542 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.615 6.504 9.745 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.154 5.675 10.243 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.493 8.088 11.561 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.858 6.649 12.333 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -5.364 8.933 12.210 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.600 7.358 12.116 1.00 0.00 H new ATOM 1371 N GLU A 90 -6.978 9.759 8.967 1.00 0.00 N ATOM 1372 CA GLU A 90 -7.868 10.731 8.309 1.00 0.00 C ATOM 1373 C GLU A 90 -7.396 11.139 6.898 1.00 0.00 C ATOM 1374 O GLU A 90 -8.153 10.919 5.949 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.091 11.959 9.215 1.00 0.00 C ATOM 1376 CG GLU A 90 -8.896 11.627 10.482 1.00 0.00 C ATOM 1377 CD GLU A 90 -9.059 12.869 11.384 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -8.109 13.193 12.143 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -10.126 13.520 11.336 1.00 0.00 O ATOM 0 H GLU A 90 -6.596 10.100 9.849 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.825 10.230 8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.124 12.373 9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.613 12.731 8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.878 11.247 10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.394 10.835 11.037 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.158 11.646 6.696 1.00 0.00 N ATOM 1387 CA PRO A 91 -5.654 12.033 5.367 1.00 0.00 C ATOM 1388 C PRO A 91 -5.372 10.855 4.423 1.00 0.00 C ATOM 1389 O PRO A 91 -4.976 11.076 3.281 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.367 12.819 5.634 1.00 0.00 C ATOM 1391 CG PRO A 91 -3.854 12.239 6.949 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.140 11.925 7.703 1.00 0.00 C ATOM 0 HA PRO A 91 -6.419 12.612 4.849 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.644 12.688 4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.561 13.888 5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.250 11.346 6.789 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.231 12.952 7.490 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.003 11.068 8.362 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.436 12.766 8.330 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.571 9.618 4.883 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.435 8.372 4.114 1.00 0.00 C ATOM 1402 C VAL A 92 -6.820 7.896 3.668 1.00 0.00 C ATOM 1403 O VAL A 92 -7.062 7.729 2.473 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.690 7.307 4.949 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.320 6.100 4.083 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.391 7.829 5.589 1.00 0.00 C ATOM 0 H VAL A 92 -5.845 9.446 5.850 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.838 8.549 3.219 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.384 7.031 5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.796 5.363 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.227 5.655 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.673 6.422 3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.920 7.029 6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.710 8.166 4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.622 8.662 6.253 1.00 0.00 H new ATOM 1416 N LYS A 93 -7.768 7.734 4.597 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.136 7.283 4.292 1.00 0.00 C ATOM 1418 C LYS A 93 -9.925 8.295 3.453 1.00 0.00 C ATOM 1419 O LYS A 93 -10.578 7.918 2.483 1.00 0.00 O ATOM 1420 CB LYS A 93 -9.904 6.931 5.583 1.00 0.00 C ATOM 1421 CG LYS A 93 -10.824 5.718 5.343 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.115 5.673 6.176 1.00 0.00 C ATOM 1423 CE LYS A 93 -11.917 5.424 7.676 1.00 0.00 C ATOM 1424 NZ LYS A 93 -11.611 6.653 8.454 1.00 0.00 N ATOM 0 H LYS A 93 -7.610 7.912 5.589 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.034 6.383 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.199 6.709 6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.496 7.787 5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.096 5.697 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.255 4.810 5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.644 6.617 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.759 4.890 5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -12.819 4.965 8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.106 4.708 7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.591 6.426 9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.684 7.026 8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.344 7.369 8.274 1.00 0.00 H new ATOM 1438 N ALA A 94 -9.859 9.578 3.819 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.681 10.649 3.249 1.00 0.00 C ATOM 1440 C ALA A 94 -10.246 11.112 1.845 1.00 0.00 C ATOM 1441 O ALA A 94 -10.926 11.946 1.240 1.00 0.00 O ATOM 1442 CB ALA A 94 -10.690 11.828 4.223 1.00 0.00 C ATOM 0 H ALA A 94 -9.216 9.909 4.538 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.683 10.242 3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.298 12.634 3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.108 11.508 5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.671 12.183 4.374 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.143 10.572 1.305 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.728 10.790 -0.093 1.00 0.00 C ATOM 1450 C ILE A 95 -9.874 10.431 -1.064 1.00 0.00 C ATOM 1451 O ILE A 95 -10.082 11.119 -2.066 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.443 9.995 -0.441 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.290 10.262 0.551 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.952 10.354 -1.854 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.116 9.280 0.413 1.00 0.00 C ATOM 0 H ILE A 95 -8.509 9.968 1.827 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.497 11.849 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.715 8.941 -0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.922 11.277 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.678 10.210 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.049 9.786 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.726 10.110 -2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.732 11.420 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.345 9.530 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.468 8.264 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.701 9.348 -0.592 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.662 9.402 -0.728 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.875 9.000 -1.440 1.00 0.00 C ATOM 1469 C CYS A 96 -13.163 9.247 -0.629 1.00 0.00 C ATOM 1470 O CYS A 96 -13.149 9.320 0.603 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.753 7.526 -1.839 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.412 6.334 -0.517 1.00 0.00 S ATOM 0 H CYS A 96 -10.463 8.807 0.076 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.962 9.624 -2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.681 7.231 -2.328 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.960 7.442 -2.582 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.296 9.335 -1.344 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.657 9.475 -0.796 1.00 0.00 C ATOM 1479 C LYS A 97 -16.694 8.949 -1.798 1.00 0.00 C ATOM 1480 O LYS A 97 -16.836 9.493 -2.892 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.915 10.954 -0.430 1.00 0.00 C ATOM 1482 CG LYS A 97 -17.160 11.165 0.451 1.00 0.00 C ATOM 1483 CD LYS A 97 -16.945 10.697 1.900 1.00 0.00 C ATOM 1484 CE LYS A 97 -18.180 11.019 2.751 1.00 0.00 C ATOM 1485 NZ LYS A 97 -17.981 10.630 4.173 1.00 0.00 N ATOM 0 H LYS A 97 -14.290 9.310 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.750 8.877 0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.042 11.348 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.028 11.532 -1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.426 12.222 0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.002 10.624 0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.752 9.624 1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.067 11.186 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.396 12.086 2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.047 10.496 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.835 10.862 4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.800 9.608 4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.169 11.148 4.564 1.00 0.00 H new ATOM 1499 N GLY A 98 -17.369 7.851 -1.455 1.00 0.00 N ATOM 1500 CA GLY A 98 -18.389 7.197 -2.295 1.00 0.00 C ATOM 1501 C GLY A 98 -17.834 6.241 -3.364 1.00 0.00 C ATOM 1502 O GLY A 98 -18.604 5.688 -4.149 1.00 0.00 O ATOM 0 H GLY A 98 -17.222 7.376 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -19.068 6.641 -1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.980 7.968 -2.790 1.00 0.00 H new ATOM 1506 N ILE A 99 -16.512 6.035 -3.408 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.821 5.204 -4.406 1.00 0.00 C ATOM 1508 C ILE A 99 -15.984 3.708 -4.088 1.00 0.00 C ATOM 1509 O ILE A 99 -15.539 3.222 -3.048 1.00 0.00 O ATOM 1510 CB ILE A 99 -14.337 5.629 -4.539 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -14.273 7.096 -5.037 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -13.582 4.690 -5.498 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.864 7.651 -5.293 1.00 0.00 C ATOM 0 H ILE A 99 -15.874 6.453 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 99 -16.286 5.366 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.853 5.559 -3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.847 7.172 -5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.766 7.732 -4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -12.542 5.008 -5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -13.622 3.670 -5.115 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -14.047 4.726 -6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.936 8.683 -5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -12.286 7.616 -4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -12.368 7.048 -6.054 1.00 0.00 H new ATOM 1525 N ILE A 100 -16.612 2.978 -5.014 1.00 0.00 N ATOM 1526 CA ILE A 100 -16.795 1.510 -5.005 1.00 0.00 C ATOM 1527 C ILE A 100 -15.960 0.838 -6.125 1.00 0.00 C ATOM 1528 O ILE A 100 -15.731 -0.369 -6.118 1.00 0.00 O ATOM 1529 CB ILE A 100 -18.309 1.156 -5.101 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -19.179 2.091 -4.221 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -18.561 -0.298 -4.668 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -20.677 1.758 -4.154 1.00 0.00 C ATOM 0 H ILE A 100 -17.031 3.411 -5.837 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.425 1.113 -4.060 1.00 0.00 H new ATOM 0 HB ILE A 100 -18.592 1.288 -6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.779 2.077 -3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -19.071 3.110 -4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -19.625 -0.521 -4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -18.002 -0.973 -5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -18.235 -0.432 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -21.182 2.479 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -21.105 1.804 -5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.809 0.755 -3.748 1.00 0.00 H new ATOM 1544 N ALA A 101 -15.443 1.632 -7.068 1.00 0.00 N ATOM 1545 CA ALA A 101 -14.817 1.224 -8.333 1.00 0.00 C ATOM 1546 C ALA A 101 -13.416 0.572 -8.228 1.00 0.00 C ATOM 1547 O ALA A 101 -12.820 0.251 -9.260 1.00 0.00 O ATOM 1548 CB ALA A 101 -14.769 2.473 -9.227 1.00 0.00 C ATOM 0 H ALA A 101 -15.451 2.646 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 101 -15.427 0.422 -8.749 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -14.310 2.219 -10.183 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.782 2.838 -9.397 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -14.181 3.249 -8.737 1.00 0.00 H new ATOM 1554 N SER A 102 -12.873 0.379 -7.018 1.00 0.00 N ATOM 1555 CA SER A 102 -11.476 -0.015 -6.757 1.00 0.00 C ATOM 1556 C SER A 102 -10.461 0.909 -7.465 1.00 0.00 C ATOM 1557 O SER A 102 -9.782 0.523 -8.424 1.00 0.00 O ATOM 1558 CB SER A 102 -11.265 -1.504 -7.054 1.00 0.00 C ATOM 1559 OG SER A 102 -10.068 -1.952 -6.437 1.00 0.00 O ATOM 0 H SER A 102 -13.412 0.497 -6.160 1.00 0.00 H new ATOM 0 HA SER A 102 -11.280 0.121 -5.693 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.113 -2.081 -6.686 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.213 -1.666 -8.131 1.00 0.00 H new ATOM 0 HG SER A 102 -9.938 -2.904 -6.628 1.00 0.00 H new ATOM 1565 N LYS A 103 -10.380 2.170 -7.009 1.00 0.00 N ATOM 1566 CA LYS A 103 -9.538 3.252 -7.566 1.00 0.00 C ATOM 1567 C LYS A 103 -9.290 4.336 -6.512 1.00 0.00 C ATOM 1568 O LYS A 103 -10.142 4.558 -5.667 1.00 0.00 O ATOM 1569 CB LYS A 103 -10.273 3.831 -8.794 1.00 0.00 C ATOM 1570 CG LYS A 103 -9.511 4.952 -9.526 1.00 0.00 C ATOM 1571 CD LYS A 103 -10.106 6.347 -9.262 1.00 0.00 C ATOM 1572 CE LYS A 103 -9.348 7.457 -10.007 1.00 0.00 C ATOM 1573 NZ LYS A 103 -9.571 7.412 -11.479 1.00 0.00 N ATOM 0 H LYS A 103 -10.924 2.482 -6.204 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.563 2.864 -7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -10.469 3.023 -9.498 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -11.241 4.216 -8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.467 4.941 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.523 4.754 -10.598 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -11.152 6.357 -9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -10.085 6.552 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.664 8.428 -9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.282 7.365 -9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.038 8.181 -11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.246 6.497 -11.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -10.585 7.527 -11.680 1.00 0.00 H new ATOM 1587 N ASN A 104 -8.157 5.033 -6.532 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.960 6.285 -5.791 1.00 0.00 C ATOM 1589 C ASN A 104 -7.157 7.307 -6.619 1.00 0.00 C ATOM 1590 O ASN A 104 -6.933 7.116 -7.816 1.00 0.00 O ATOM 1591 CB ASN A 104 -7.285 5.966 -4.441 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.800 6.803 -3.281 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -8.329 7.887 -3.454 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.647 6.327 -2.065 1.00 0.00 N ATOM 0 H ASN A 104 -7.338 4.745 -7.068 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.926 6.750 -5.595 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.437 4.911 -4.211 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.210 6.120 -4.538 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.972 6.866 -1.262 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.204 5.419 -1.925 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.702 8.384 -5.976 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.731 9.349 -6.505 1.00 0.00 C ATOM 1603 C VAL A 105 -4.566 9.504 -5.520 1.00 0.00 C ATOM 1604 O VAL A 105 -4.738 9.353 -4.308 1.00 0.00 O ATOM 1605 CB VAL A 105 -6.442 10.682 -6.832 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -7.001 11.406 -5.598 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -5.547 11.648 -7.615 1.00 0.00 C ATOM 0 H VAL A 105 -7.012 8.619 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.303 8.987 -7.440 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.285 10.385 -7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.485 12.332 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.728 10.766 -5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.187 11.634 -4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.095 12.568 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.658 11.878 -7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.250 11.187 -8.557 1.00 0.00 H new ATOM 1617 N LEU A 106 -3.369 9.793 -6.031 1.00 0.00 N ATOM 1618 CA LEU A 106 -2.204 10.206 -5.246 1.00 0.00 C ATOM 1619 C LEU A 106 -2.528 11.413 -4.337 1.00 0.00 C ATOM 1620 O LEU A 106 -3.249 12.330 -4.742 1.00 0.00 O ATOM 1621 CB LEU A 106 -1.069 10.534 -6.245 1.00 0.00 C ATOM 1622 CG LEU A 106 0.283 10.944 -5.633 1.00 0.00 C ATOM 1623 CD1 LEU A 106 0.965 9.762 -4.960 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.211 11.490 -6.714 1.00 0.00 C ATOM 0 H LEU A 106 -3.177 9.745 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.897 9.403 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.907 9.661 -6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.408 11.340 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 106 0.083 11.714 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.917 10.083 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.326 9.378 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.141 8.977 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.163 11.776 -6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.381 10.723 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.753 12.362 -7.180 1.00 0.00 H new ATOM 1636 N THR A 107 -1.971 11.435 -3.122 1.00 0.00 N ATOM 1637 CA THR A 107 -2.070 12.589 -2.198 1.00 0.00 C ATOM 1638 C THR A 107 -1.396 13.867 -2.734 1.00 0.00 C ATOM 1639 O THR A 107 -0.702 13.856 -3.752 1.00 0.00 O ATOM 1640 CB THR A 107 -1.509 12.275 -0.793 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.829 11.049 -0.718 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.621 12.216 0.250 1.00 0.00 C ATOM 0 H THR A 107 -1.435 10.654 -2.743 1.00 0.00 H new ATOM 0 HA THR A 107 -3.141 12.778 -2.121 1.00 0.00 H new ATOM 0 HB THR A 107 -0.811 13.089 -0.595 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.499 10.913 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.192 11.993 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.134 13.177 0.290 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.332 11.436 -0.020 1.00 0.00 H new ATOM 1650 N THR A 108 -1.566 14.985 -2.017 1.00 0.00 N ATOM 1651 CA THR A 108 -0.988 16.305 -2.361 1.00 0.00 C ATOM 1652 C THR A 108 -0.143 16.935 -1.239 1.00 0.00 C ATOM 1653 O THR A 108 0.749 17.737 -1.521 1.00 0.00 O ATOM 1654 CB THR A 108 -2.097 17.255 -2.856 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.552 18.390 -3.499 1.00 0.00 O ATOM 1656 CG2 THR A 108 -3.045 17.737 -1.754 1.00 0.00 C ATOM 0 H THR A 108 -2.120 15.005 -1.161 1.00 0.00 H new ATOM 0 HA THR A 108 -0.279 16.135 -3.171 1.00 0.00 H new ATOM 0 HB THR A 108 -2.678 16.655 -3.557 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.278 18.974 -3.804 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.795 18.400 -2.184 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.538 16.879 -1.297 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.477 18.275 -0.995 1.00 0.00 H new ATOM 1664 N SER A 109 -0.371 16.549 0.023 1.00 0.00 N ATOM 1665 CA SER A 109 0.491 16.896 1.169 1.00 0.00 C ATOM 1666 C SER A 109 1.734 15.998 1.230 1.00 0.00 C ATOM 1667 O SER A 109 1.841 15.012 0.498 1.00 0.00 O ATOM 1668 CB SER A 109 -0.300 16.788 2.480 1.00 0.00 C ATOM 1669 OG SER A 109 -1.327 17.769 2.523 1.00 0.00 O ATOM 0 H SER A 109 -1.173 15.976 0.285 1.00 0.00 H new ATOM 0 HA SER A 109 0.825 17.925 1.034 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.736 15.793 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.371 16.918 3.329 1.00 0.00 H new ATOM 0 HG SER A 109 -1.823 17.686 3.364 1.00 0.00 H new ATOM 1675 N GLU A 110 2.691 16.328 2.099 1.00 0.00 N ATOM 1676 CA GLU A 110 3.995 15.655 2.185 1.00 0.00 C ATOM 1677 C GLU A 110 4.267 15.133 3.603 1.00 0.00 C ATOM 1678 O GLU A 110 4.533 15.896 4.536 1.00 0.00 O ATOM 1679 CB GLU A 110 5.114 16.558 1.636 1.00 0.00 C ATOM 1680 CG GLU A 110 4.759 17.074 0.229 1.00 0.00 C ATOM 1681 CD GLU A 110 5.973 17.497 -0.615 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.835 18.267 -0.130 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.023 17.080 -1.800 1.00 0.00 O ATOM 0 H GLU A 110 2.583 17.083 2.776 1.00 0.00 H new ATOM 0 HA GLU A 110 3.974 14.771 1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.270 17.401 2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.051 16.002 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.214 16.295 -0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.085 17.925 0.326 1.00 0.00 H new ATOM 1690 N PHE A 111 4.138 13.815 3.759 1.00 0.00 N ATOM 1691 CA PHE A 111 4.160 13.068 5.021 1.00 0.00 C ATOM 1692 C PHE A 111 5.521 12.394 5.231 1.00 0.00 C ATOM 1693 O PHE A 111 6.279 12.224 4.272 1.00 0.00 O ATOM 1694 CB PHE A 111 3.057 11.995 4.987 1.00 0.00 C ATOM 1695 CG PHE A 111 1.716 12.454 4.437 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.509 12.454 3.046 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.671 12.848 5.294 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.277 12.856 2.511 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.570 13.241 4.758 1.00 0.00 C ATOM 1700 CZ PHE A 111 -0.766 13.242 3.366 1.00 0.00 C ATOM 0 H PHE A 111 4.007 13.199 2.956 1.00 0.00 H new ATOM 0 HA PHE A 111 3.988 13.761 5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.409 11.156 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.906 11.621 6.000 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.304 12.142 2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.821 12.849 6.363 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.131 12.868 1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.372 13.542 5.416 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.719 13.540 2.955 1.00 0.00 H new ATOM 1710 N TYR A 112 5.837 11.968 6.457 1.00 0.00 N ATOM 1711 CA TYR A 112 7.115 11.317 6.757 1.00 0.00 C ATOM 1712 C TYR A 112 7.121 9.869 6.240 1.00 0.00 C ATOM 1713 O TYR A 112 6.464 8.988 6.800 1.00 0.00 O ATOM 1714 CB TYR A 112 7.409 11.402 8.260 1.00 0.00 C ATOM 1715 CG TYR A 112 7.907 12.758 8.723 1.00 0.00 C ATOM 1716 CD1 TYR A 112 9.172 13.220 8.307 1.00 0.00 C ATOM 1717 CD2 TYR A 112 7.120 13.548 9.584 1.00 0.00 C ATOM 1718 CE1 TYR A 112 9.649 14.471 8.743 1.00 0.00 C ATOM 1719 CE2 TYR A 112 7.594 14.800 10.023 1.00 0.00 C ATOM 1720 CZ TYR A 112 8.859 15.266 9.604 1.00 0.00 C ATOM 1721 OH TYR A 112 9.312 16.475 10.037 1.00 0.00 O ATOM 0 H TYR A 112 5.220 12.063 7.263 1.00 0.00 H new ATOM 0 HA TYR A 112 7.917 11.841 6.237 1.00 0.00 H new ATOM 0 HB2 TYR A 112 6.501 11.154 8.810 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.153 10.648 8.516 1.00 0.00 H new ATOM 0 HD1 TYR A 112 9.778 12.612 7.651 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.153 13.194 9.908 1.00 0.00 H new ATOM 0 HE1 TYR A 112 10.618 14.823 8.420 1.00 0.00 H new ATOM 0 HE2 TYR A 112 6.988 15.405 10.682 1.00 0.00 H new ATOM 0 HH TYR A 112 8.640 16.886 10.620 1.00 0.00 H new ATOM 1731 N LEU A 113 7.850 9.637 5.146 1.00 0.00 N ATOM 1732 CA LEU A 113 8.009 8.325 4.507 1.00 0.00 C ATOM 1733 C LEU A 113 9.305 7.630 4.953 1.00 0.00 C ATOM 1734 O LEU A 113 10.415 8.129 4.757 1.00 0.00 O ATOM 1735 CB LEU A 113 7.905 8.470 2.976 1.00 0.00 C ATOM 1736 CG LEU A 113 6.527 8.091 2.401 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.276 6.587 2.462 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.359 8.824 3.057 1.00 0.00 C ATOM 0 H LEU A 113 8.361 10.377 4.665 1.00 0.00 H new ATOM 0 HA LEU A 113 7.198 7.674 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.130 9.501 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.666 7.844 2.510 1.00 0.00 H new ATOM 0 HG LEU A 113 6.570 8.412 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.293 6.365 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.040 6.067 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.315 6.253 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.424 8.503 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.338 8.594 4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.481 9.898 2.920 1.00 0.00 H new ATOM 1750 N SER A 114 9.144 6.461 5.567 1.00 0.00 N ATOM 1751 CA SER A 114 10.189 5.693 6.243 1.00 0.00 C ATOM 1752 C SER A 114 10.340 4.321 5.583 1.00 0.00 C ATOM 1753 O SER A 114 9.688 3.347 5.962 1.00 0.00 O ATOM 1754 CB SER A 114 9.869 5.624 7.742 1.00 0.00 C ATOM 1755 OG SER A 114 10.784 4.796 8.447 1.00 0.00 O ATOM 0 H SER A 114 8.236 5.999 5.609 1.00 0.00 H new ATOM 0 HA SER A 114 11.158 6.183 6.145 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.891 6.629 8.164 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.857 5.243 7.879 1.00 0.00 H new ATOM 0 HG SER A 114 10.333 4.392 9.218 1.00 0.00 H new ATOM 1761 N ASP A 115 11.175 4.246 4.548 1.00 0.00 N ATOM 1762 CA ASP A 115 11.613 2.974 3.972 1.00 0.00 C ATOM 1763 C ASP A 115 12.776 2.362 4.782 1.00 0.00 C ATOM 1764 O ASP A 115 13.447 3.026 5.580 1.00 0.00 O ATOM 1765 CB ASP A 115 12.008 3.179 2.499 1.00 0.00 C ATOM 1766 CG ASP A 115 10.782 3.374 1.596 1.00 0.00 C ATOM 1767 OD1 ASP A 115 10.086 2.367 1.331 1.00 0.00 O ATOM 1768 OD2 ASP A 115 10.536 4.513 1.135 1.00 0.00 O ATOM 0 H ASP A 115 11.568 5.065 4.084 1.00 0.00 H new ATOM 0 HA ASP A 115 10.784 2.267 4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.661 4.048 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.579 2.317 2.154 1.00 0.00 H new ATOM 1773 N CYS A 116 13.027 1.074 4.555 1.00 0.00 N ATOM 1774 CA CYS A 116 14.263 0.370 4.905 1.00 0.00 C ATOM 1775 C CYS A 116 14.422 -0.834 3.974 1.00 0.00 C ATOM 1776 O CYS A 116 13.503 -1.645 3.880 1.00 0.00 O ATOM 1777 CB CYS A 116 14.227 -0.064 6.377 1.00 0.00 C ATOM 1778 SG CYS A 116 15.326 0.923 7.427 1.00 0.00 S ATOM 0 H CYS A 116 12.346 0.464 4.102 1.00 0.00 H new ATOM 0 HA CYS A 116 15.120 1.031 4.780 1.00 0.00 H new ATOM 0 HB2 CYS A 116 13.206 0.017 6.750 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.510 -1.114 6.449 1.00 0.00 H new ATOM 1783 N ASN A 117 15.549 -0.940 3.266 1.00 0.00 N ATOM 1784 CA ASN A 117 15.807 -1.989 2.270 1.00 0.00 C ATOM 1785 C ASN A 117 16.893 -2.938 2.782 1.00 0.00 C ATOM 1786 O ASN A 117 17.868 -2.487 3.378 1.00 0.00 O ATOM 1787 CB ASN A 117 16.220 -1.339 0.936 1.00 0.00 C ATOM 1788 CG ASN A 117 15.053 -0.832 0.108 1.00 0.00 C ATOM 1789 OD1 ASN A 117 14.689 -1.411 -0.903 1.00 0.00 O ATOM 1790 ND2 ASN A 117 14.449 0.272 0.485 1.00 0.00 N ATOM 0 H ASN A 117 16.325 -0.287 3.369 1.00 0.00 H new ATOM 0 HA ASN A 117 14.901 -2.572 2.105 1.00 0.00 H new ATOM 0 HB2 ASN A 117 16.894 -0.508 1.142 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.781 -2.066 0.348 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.676 0.645 -0.067 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.753 0.756 1.330 1.00 0.00 H new ATOM 1797 N VAL A 118 16.739 -4.244 2.564 1.00 0.00 N ATOM 1798 CA VAL A 118 17.721 -5.267 2.979 1.00 0.00 C ATOM 1799 C VAL A 118 19.090 -5.054 2.308 1.00 0.00 C ATOM 1800 O VAL A 118 19.181 -4.582 1.171 1.00 0.00 O ATOM 1801 CB VAL A 118 17.149 -6.676 2.706 1.00 0.00 C ATOM 1802 CG1 VAL A 118 18.184 -7.809 2.671 1.00 0.00 C ATOM 1803 CG2 VAL A 118 16.135 -7.054 3.786 1.00 0.00 C ATOM 0 H VAL A 118 15.924 -4.634 2.090 1.00 0.00 H new ATOM 0 HA VAL A 118 17.896 -5.170 4.051 1.00 0.00 H new ATOM 0 HB VAL A 118 16.709 -6.591 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.681 -8.755 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.912 -7.613 1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.696 -7.864 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.740 -8.049 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.623 -7.051 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.318 -6.332 3.787 1.00 0.00 H new ATOM 1813 N THR A 119 20.170 -5.425 3.005 1.00 0.00 N ATOM 1814 CA THR A 119 21.549 -5.421 2.472 1.00 0.00 C ATOM 1815 C THR A 119 22.348 -6.644 2.944 1.00 0.00 C ATOM 1816 O THR A 119 23.033 -6.637 3.970 1.00 0.00 O ATOM 1817 CB THR A 119 22.261 -4.073 2.698 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.558 -4.103 2.144 1.00 0.00 O ATOM 1819 CG2 THR A 119 22.328 -3.588 4.144 1.00 0.00 C ATOM 0 H THR A 119 20.116 -5.743 3.973 1.00 0.00 H new ATOM 0 HA THR A 119 21.483 -5.521 1.389 1.00 0.00 H new ATOM 0 HB THR A 119 21.631 -3.346 2.185 1.00 0.00 H new ATOM 0 HG1 THR A 119 23.998 -3.240 2.294 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.850 -2.632 4.183 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.318 -3.466 4.534 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.865 -4.319 4.749 1.00 0.00 H new ATOM 1827 N SER A 120 22.201 -7.738 2.189 1.00 0.00 N ATOM 1828 CA SER A 120 22.938 -9.007 2.356 1.00 0.00 C ATOM 1829 C SER A 120 24.376 -8.912 1.822 1.00 0.00 C ATOM 1830 O SER A 120 24.556 -8.572 0.627 1.00 0.00 O ATOM 1831 CB SER A 120 22.167 -10.139 1.672 1.00 0.00 C ATOM 1832 OG SER A 120 22.719 -11.383 2.069 1.00 0.00 O ATOM 1833 OXT SER A 120 25.327 -9.148 2.602 1.00 0.00 O ATOM 0 H SER A 120 21.540 -7.771 1.412 1.00 0.00 H new ATOM 0 HA SER A 120 23.017 -9.220 3.422 1.00 0.00 H new ATOM 0 HB2 SER A 120 21.112 -10.092 1.943 1.00 0.00 H new ATOM 0 HB3 SER A 120 22.223 -10.031 0.589 1.00 0.00 H new ATOM 0 HG SER A 120 22.228 -12.112 1.635 1.00 0.00 H new TER 1839 SER A 120