USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 676 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 36 THR OG1 : rot 130:sc= 0.604 USER MOD Set 1.2: A 39 LYS NZ :NH3+ -133:sc= 0.597 (180deg=0.0237) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -128:sc= 0.257 (180deg=-0.0793) USER MOD Set 2.2: A 22 CYS SG : rot -150:sc= -0.245 USER MOD Single : A 10 CYS SG : rot -150:sc= -0.182 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 147:sc= 2.48 (180deg=2.42) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot -125:sc= 1.43 USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= 1.33 (180deg=1.21) USER MOD Single : A 50 ASN : amide:sc= -0.595 K(o=-0.59,f=-2.9!) USER MOD Single : A 53 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.021) USER MOD Single : A 57 THR OG1 : rot 100:sc= 0.683 USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= 1.2 (180deg=0.83) USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= -0.0337 (180deg=-0.238) USER MOD Single : A 64 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.17) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.18) USER MOD Single : A 68 SER OG : rot 180:sc= 0.137 USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0.874 (180deg=0.749) USER MOD Single : A 74 LYS NZ :NH3+ -161:sc= 0.661 (180deg=0.306) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.19) USER MOD Single : A 79 SER OG : rot 81:sc= 0.0703 USER MOD Single : A 80 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.023) USER MOD Single : A 82 THR OG1 : rot -163:sc= -0.494 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= 1.19 (180deg=1.06) USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= -0.0128 (180deg=-0.206) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 2.706 10.296 -6.588 1.00 0.00 N ATOM 45 CA ILE A 4 3.269 10.106 -5.252 1.00 0.00 C ATOM 46 C ILE A 4 2.701 11.112 -4.247 1.00 0.00 C ATOM 47 O ILE A 4 3.242 12.204 -4.051 1.00 0.00 O ATOM 48 CB ILE A 4 4.814 10.185 -5.262 1.00 0.00 C ATOM 49 CG1 ILE A 4 5.400 9.149 -6.229 1.00 0.00 C ATOM 50 CG2 ILE A 4 5.377 9.976 -3.860 1.00 0.00 C ATOM 51 CD1 ILE A 4 5.039 7.717 -5.887 1.00 0.00 C ATOM 0 HA ILE A 4 2.979 9.104 -4.936 1.00 0.00 H new ATOM 0 HB ILE A 4 5.099 11.181 -5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.052 9.370 -7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.485 9.248 -6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.465 10.036 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.991 10.748 -3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.078 8.995 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.490 7.044 -6.616 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.411 7.476 -4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.955 7.600 -5.907 1.00 0.00 H new ATOM 63 N GLU A 5 1.591 10.743 -3.633 1.00 0.00 N ATOM 64 CA GLU A 5 0.984 11.557 -2.594 1.00 0.00 C ATOM 65 C GLU A 5 0.476 10.668 -1.465 1.00 0.00 C ATOM 66 O GLU A 5 0.576 9.441 -1.535 1.00 0.00 O ATOM 67 CB GLU A 5 -0.156 12.432 -3.151 1.00 0.00 C ATOM 68 CG GLU A 5 -1.284 11.664 -3.831 1.00 0.00 C ATOM 69 CD GLU A 5 -0.882 11.094 -5.177 1.00 0.00 C ATOM 70 OE1 GLU A 5 -0.756 11.872 -6.143 1.00 0.00 O ATOM 71 OE2 GLU A 5 -0.680 9.868 -5.269 1.00 0.00 O ATOM 0 H GLU A 5 1.089 9.879 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 5 1.748 12.229 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.577 13.018 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.265 13.139 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.608 10.852 -3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.139 12.326 -3.963 1.00 0.00 H new ATOM 78 N VAL A 6 -0.053 11.294 -0.428 1.00 0.00 N ATOM 79 CA VAL A 6 -0.546 10.572 0.733 1.00 0.00 C ATOM 80 C VAL A 6 -1.847 9.839 0.420 1.00 0.00 C ATOM 81 O VAL A 6 -2.838 10.442 0.006 1.00 0.00 O ATOM 82 CB VAL A 6 -0.743 11.518 1.938 1.00 0.00 C ATOM 83 CG1 VAL A 6 0.601 11.901 2.532 1.00 0.00 C ATOM 84 CG2 VAL A 6 -1.507 12.768 1.522 1.00 0.00 C ATOM 0 H VAL A 6 -0.153 12.307 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 6 0.209 9.831 0.997 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.326 10.992 2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.447 12.568 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.120 11.003 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.202 12.408 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.635 13.421 2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.949 13.295 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.485 12.484 1.134 1.00 0.00 H new ATOM 94 N GLY A 7 -1.829 8.528 0.610 1.00 0.00 N ATOM 95 CA GLY A 7 -2.999 7.721 0.332 1.00 0.00 C ATOM 96 C GLY A 7 -2.878 6.960 -0.974 1.00 0.00 C ATOM 97 O GLY A 7 -3.812 6.281 -1.399 1.00 0.00 O ATOM 0 H GLY A 7 -1.022 8.007 0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.153 7.015 1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.879 8.363 0.296 1.00 0.00 H new ATOM 101 N ARG A 8 -1.725 7.069 -1.609 1.00 0.00 N ATOM 102 CA ARG A 8 -1.486 6.400 -2.876 1.00 0.00 C ATOM 103 C ARG A 8 -1.056 4.957 -2.651 1.00 0.00 C ATOM 104 O ARG A 8 -0.061 4.692 -1.968 1.00 0.00 O ATOM 105 CB ARG A 8 -0.407 7.150 -3.656 1.00 0.00 C ATOM 106 CG ARG A 8 -0.163 6.620 -5.056 1.00 0.00 C ATOM 107 CD ARG A 8 0.935 7.414 -5.739 1.00 0.00 C ATOM 108 NE ARG A 8 1.001 7.176 -7.182 1.00 0.00 N ATOM 109 CZ ARG A 8 0.513 8.023 -8.099 1.00 0.00 C ATOM 110 NH1 ARG A 8 -0.154 9.106 -7.720 1.00 0.00 N ATOM 111 NH2 ARG A 8 0.695 7.787 -9.395 1.00 0.00 N ATOM 0 H ARG A 8 -0.936 7.617 -1.266 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.413 6.396 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.688 8.201 -3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.527 7.105 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.116 5.567 -5.010 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.081 6.681 -5.640 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.773 8.477 -5.559 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.894 7.157 -5.290 1.00 0.00 H new ATOM 0 HE ARG A 8 1.444 6.317 -7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.297 9.296 -6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.524 9.748 -8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.208 6.958 -9.695 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.322 8.435 -10.089 1.00 0.00 H new ATOM 125 N ILE A 9 -1.816 4.031 -3.212 1.00 0.00 N ATOM 126 CA ILE A 9 -1.461 2.627 -3.162 1.00 0.00 C ATOM 127 C ILE A 9 -0.431 2.325 -4.244 1.00 0.00 C ATOM 128 O ILE A 9 -0.568 2.760 -5.389 1.00 0.00 O ATOM 129 CB ILE A 9 -2.696 1.699 -3.336 1.00 0.00 C ATOM 130 CG1 ILE A 9 -3.632 1.777 -2.123 1.00 0.00 C ATOM 131 CG2 ILE A 9 -2.267 0.255 -3.563 1.00 0.00 C ATOM 132 CD1 ILE A 9 -4.466 3.039 -2.048 1.00 0.00 C ATOM 0 H ILE A 9 -2.685 4.230 -3.708 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.042 2.427 -2.176 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.239 2.049 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.301 0.916 -2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.035 1.698 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.150 -0.373 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.655 0.194 -4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.688 -0.091 -2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.096 3.006 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.809 3.907 -1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.094 3.113 -2.936 1.00 0.00 H new ATOM 144 N CYS A 10 0.615 1.616 -3.865 1.00 0.00 N ATOM 145 CA CYS A 10 1.648 1.223 -4.798 1.00 0.00 C ATOM 146 C CYS A 10 1.855 -0.282 -4.737 1.00 0.00 C ATOM 147 O CYS A 10 1.729 -0.895 -3.672 1.00 0.00 O ATOM 148 CB CYS A 10 2.953 1.954 -4.486 1.00 0.00 C ATOM 149 SG CYS A 10 2.792 3.753 -4.448 1.00 0.00 S ATOM 0 H CYS A 10 0.770 1.299 -2.908 1.00 0.00 H new ATOM 0 HA CYS A 10 1.335 1.495 -5.806 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.328 1.612 -3.521 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.699 1.681 -5.233 1.00 0.00 H new ATOM 0 HG CYS A 10 3.916 4.297 -4.808 1.00 0.00 H new ATOM 155 N VAL A 11 2.156 -0.876 -5.877 1.00 0.00 N ATOM 156 CA VAL A 11 2.362 -2.308 -5.956 1.00 0.00 C ATOM 157 C VAL A 11 3.852 -2.622 -6.028 1.00 0.00 C ATOM 158 O VAL A 11 4.650 -1.819 -6.528 1.00 0.00 O ATOM 159 CB VAL A 11 1.622 -2.921 -7.171 1.00 0.00 C ATOM 160 CG1 VAL A 11 2.220 -2.450 -8.486 1.00 0.00 C ATOM 161 CG2 VAL A 11 1.610 -4.438 -7.098 1.00 0.00 C ATOM 0 H VAL A 11 2.263 -0.385 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 11 1.947 -2.757 -5.054 1.00 0.00 H new ATOM 0 HB VAL A 11 0.591 -2.571 -7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.675 -2.901 -9.316 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.147 -1.364 -8.551 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.268 -2.747 -8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.084 -4.840 -7.964 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.635 -4.810 -7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.103 -4.754 -6.186 1.00 0.00 H new ATOM 171 N LYS A 12 4.220 -3.775 -5.500 1.00 0.00 N ATOM 172 CA LYS A 12 5.608 -4.206 -5.475 1.00 0.00 C ATOM 173 C LYS A 12 6.034 -4.708 -6.850 1.00 0.00 C ATOM 174 O LYS A 12 5.335 -5.500 -7.470 1.00 0.00 O ATOM 175 CB LYS A 12 5.788 -5.314 -4.430 1.00 0.00 C ATOM 176 CG LYS A 12 5.500 -4.861 -3.007 1.00 0.00 C ATOM 177 CD LYS A 12 6.519 -3.839 -2.523 1.00 0.00 C ATOM 178 CE LYS A 12 6.101 -3.220 -1.199 1.00 0.00 C ATOM 179 NZ LYS A 12 5.896 -4.242 -0.137 1.00 0.00 N ATOM 0 H LYS A 12 3.569 -4.437 -5.078 1.00 0.00 H new ATOM 0 HA LYS A 12 6.236 -3.356 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.129 -6.146 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.810 -5.690 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.500 -4.429 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.507 -5.725 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.492 -4.318 -2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.634 -3.056 -3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.863 -2.511 -0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.179 -2.655 -1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.961 -4.108 0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.951 -5.193 -0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.633 -4.140 0.590 1.00 0.00 H new ATOM 193 N VAL A 13 7.189 -4.258 -7.320 1.00 0.00 N ATOM 194 CA VAL A 13 7.711 -4.701 -8.606 1.00 0.00 C ATOM 195 C VAL A 13 8.489 -6.005 -8.416 1.00 0.00 C ATOM 196 O VAL A 13 9.567 -6.211 -8.975 1.00 0.00 O ATOM 197 CB VAL A 13 8.601 -3.618 -9.262 1.00 0.00 C ATOM 198 CG1 VAL A 13 8.940 -3.984 -10.702 1.00 0.00 C ATOM 199 CG2 VAL A 13 7.911 -2.264 -9.217 1.00 0.00 C ATOM 0 H VAL A 13 7.782 -3.587 -6.831 1.00 0.00 H new ATOM 0 HA VAL A 13 6.873 -4.876 -9.280 1.00 0.00 H new ATOM 0 HB VAL A 13 9.531 -3.561 -8.696 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.566 -3.205 -11.138 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.476 -4.933 -10.720 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.021 -4.076 -11.280 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.551 -1.514 -9.682 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.965 -2.319 -9.756 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.722 -1.986 -8.180 1.00 0.00 H new ATOM 287 N GLY A 19 1.549 -9.856 -4.896 1.00 0.00 N ATOM 288 CA GLY A 19 0.387 -9.968 -4.041 1.00 0.00 C ATOM 289 C GLY A 19 0.525 -9.107 -2.803 1.00 0.00 C ATOM 290 O GLY A 19 -0.088 -9.376 -1.775 1.00 0.00 O ATOM 0 HA2 GLY A 19 -0.504 -9.671 -4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.248 -11.009 -3.748 1.00 0.00 H new ATOM 294 N SER A 20 1.343 -8.068 -2.904 1.00 0.00 N ATOM 295 CA SER A 20 1.594 -7.187 -1.780 1.00 0.00 C ATOM 296 C SER A 20 1.392 -5.727 -2.180 1.00 0.00 C ATOM 297 O SER A 20 2.208 -5.147 -2.898 1.00 0.00 O ATOM 298 CB SER A 20 3.014 -7.399 -1.261 1.00 0.00 C ATOM 299 OG SER A 20 3.254 -8.764 -0.971 1.00 0.00 O ATOM 0 H SER A 20 1.843 -7.817 -3.757 1.00 0.00 H new ATOM 0 HA SER A 20 0.884 -7.425 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.731 -7.051 -2.004 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.169 -6.801 -0.363 1.00 0.00 H new ATOM 0 HG SER A 20 4.171 -8.872 -0.642 1.00 0.00 H new ATOM 305 N LYS A 21 0.295 -5.150 -1.716 1.00 0.00 N ATOM 306 CA LYS A 21 -0.022 -3.755 -1.982 1.00 0.00 C ATOM 307 C LYS A 21 0.277 -2.921 -0.743 1.00 0.00 C ATOM 308 O LYS A 21 0.107 -3.393 0.381 1.00 0.00 O ATOM 309 CB LYS A 21 -1.498 -3.637 -2.373 1.00 0.00 C ATOM 310 CG LYS A 21 -1.849 -4.427 -3.626 1.00 0.00 C ATOM 311 CD LYS A 21 -3.303 -4.867 -3.624 1.00 0.00 C ATOM 312 CE LYS A 21 -3.642 -5.672 -4.869 1.00 0.00 C ATOM 313 NZ LYS A 21 -4.974 -6.325 -4.772 1.00 0.00 N ATOM 0 H LYS A 21 -0.399 -5.633 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 21 0.589 -3.384 -2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.116 -3.986 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.743 -2.587 -2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.655 -3.816 -4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.204 -5.303 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.502 -5.467 -2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.949 -3.991 -3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.624 -5.016 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.877 -6.433 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.409 -6.368 -5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.862 -7.289 -4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.585 -5.775 -4.134 1.00 0.00 H new ATOM 327 N CYS A 22 0.749 -1.701 -0.935 1.00 0.00 N ATOM 328 CA CYS A 22 1.105 -0.842 0.189 1.00 0.00 C ATOM 329 C CYS A 22 0.671 0.594 -0.076 1.00 0.00 C ATOM 330 O CYS A 22 0.575 1.017 -1.224 1.00 0.00 O ATOM 331 CB CYS A 22 2.610 -0.902 0.440 1.00 0.00 C ATOM 332 SG CYS A 22 3.234 -2.577 0.732 1.00 0.00 S ATOM 0 H CYS A 22 0.895 -1.281 -1.853 1.00 0.00 H new ATOM 0 HA CYS A 22 0.585 -1.200 1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.130 -0.475 -0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.851 -0.279 1.301 1.00 0.00 H new ATOM 0 HG CYS A 22 4.269 -2.524 1.517 1.00 0.00 H new ATOM 338 N VAL A 23 0.412 1.333 0.993 1.00 0.00 N ATOM 339 CA VAL A 23 -0.060 2.706 0.883 1.00 0.00 C ATOM 340 C VAL A 23 1.001 3.679 1.390 1.00 0.00 C ATOM 341 O VAL A 23 1.581 3.474 2.460 1.00 0.00 O ATOM 342 CB VAL A 23 -1.365 2.910 1.691 1.00 0.00 C ATOM 343 CG1 VAL A 23 -1.909 4.321 1.505 1.00 0.00 C ATOM 344 CG2 VAL A 23 -2.410 1.873 1.299 1.00 0.00 C ATOM 0 H VAL A 23 0.522 1.002 1.952 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.260 2.903 -0.170 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.130 2.777 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.826 4.437 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.169 5.044 1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.122 4.493 0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.319 2.035 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.636 1.967 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.024 0.874 1.501 1.00 0.00 H new ATOM 354 N ILE A 24 1.263 4.722 0.615 1.00 0.00 N ATOM 355 CA ILE A 24 2.179 5.773 1.034 1.00 0.00 C ATOM 356 C ILE A 24 1.474 6.715 2.004 1.00 0.00 C ATOM 357 O ILE A 24 0.571 7.457 1.618 1.00 0.00 O ATOM 358 CB ILE A 24 2.711 6.587 -0.167 1.00 0.00 C ATOM 359 CG1 ILE A 24 3.399 5.665 -1.180 1.00 0.00 C ATOM 360 CG2 ILE A 24 3.670 7.670 0.310 1.00 0.00 C ATOM 361 CD1 ILE A 24 3.901 6.386 -2.415 1.00 0.00 C ATOM 0 H ILE A 24 0.853 4.863 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 24 3.028 5.293 1.521 1.00 0.00 H new ATOM 0 HB ILE A 24 1.866 7.067 -0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.238 5.167 -0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.699 4.886 -1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.036 8.235 -0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.149 8.342 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.511 7.209 0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.376 5.670 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.063 6.861 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.626 7.146 -2.123 1.00 0.00 H new ATOM 373 N VAL A 25 1.875 6.662 3.267 1.00 0.00 N ATOM 374 CA VAL A 25 1.258 7.491 4.291 1.00 0.00 C ATOM 375 C VAL A 25 2.141 8.691 4.619 1.00 0.00 C ATOM 376 O VAL A 25 1.650 9.747 5.025 1.00 0.00 O ATOM 377 CB VAL A 25 0.973 6.685 5.580 1.00 0.00 C ATOM 378 CG1 VAL A 25 0.185 7.520 6.579 1.00 0.00 C ATOM 379 CG2 VAL A 25 0.228 5.397 5.256 1.00 0.00 C ATOM 0 H VAL A 25 2.622 6.056 3.605 1.00 0.00 H new ATOM 0 HA VAL A 25 0.308 7.844 3.891 1.00 0.00 H new ATOM 0 HB VAL A 25 1.930 6.425 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.003 6.931 7.477 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.758 8.410 6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.765 7.818 6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.038 4.845 6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.720 5.636 4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.832 4.786 4.585 1.00 0.00 H new ATOM 389 N ASP A 26 3.446 8.536 4.430 1.00 0.00 N ATOM 390 CA ASP A 26 4.376 9.618 4.707 1.00 0.00 C ATOM 391 C ASP A 26 5.446 9.705 3.633 1.00 0.00 C ATOM 392 O ASP A 26 6.065 8.706 3.269 1.00 0.00 O ATOM 393 CB ASP A 26 5.028 9.446 6.081 1.00 0.00 C ATOM 394 CG ASP A 26 6.049 10.533 6.377 1.00 0.00 C ATOM 395 OD1 ASP A 26 5.827 11.692 5.969 1.00 0.00 O ATOM 396 OD2 ASP A 26 7.070 10.234 7.028 1.00 0.00 O ATOM 0 H ASP A 26 3.879 7.678 4.089 1.00 0.00 H new ATOM 0 HA ASP A 26 3.806 10.547 4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.256 9.457 6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.514 8.472 6.130 1.00 0.00 H new ATOM 401 N ILE A 27 5.637 10.903 3.120 1.00 0.00 N ATOM 402 CA ILE A 27 6.690 11.171 2.163 1.00 0.00 C ATOM 403 C ILE A 27 7.868 11.806 2.891 1.00 0.00 C ATOM 404 O ILE A 27 7.853 13.005 3.182 1.00 0.00 O ATOM 405 CB ILE A 27 6.199 12.106 1.036 1.00 0.00 C ATOM 406 CG1 ILE A 27 4.935 11.532 0.393 1.00 0.00 C ATOM 407 CG2 ILE A 27 7.289 12.296 -0.009 1.00 0.00 C ATOM 408 CD1 ILE A 27 4.315 12.431 -0.656 1.00 0.00 C ATOM 0 H ILE A 27 5.068 11.716 3.354 1.00 0.00 H new ATOM 0 HA ILE A 27 6.995 10.231 1.704 1.00 0.00 H new ATOM 0 HB ILE A 27 5.962 13.080 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.176 10.571 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.198 11.339 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.927 12.957 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.169 12.737 0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.553 11.330 -0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.424 11.953 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.041 13.384 -0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.033 12.604 -1.458 1.00 0.00 H new ATOM 420 N ILE A 28 8.854 10.984 3.225 1.00 0.00 N ATOM 421 CA ILE A 28 10.005 11.428 4.004 1.00 0.00 C ATOM 422 C ILE A 28 10.950 12.257 3.141 1.00 0.00 C ATOM 423 O ILE A 28 11.251 13.413 3.451 1.00 0.00 O ATOM 424 CB ILE A 28 10.778 10.223 4.591 1.00 0.00 C ATOM 425 CG1 ILE A 28 9.810 9.237 5.254 1.00 0.00 C ATOM 426 CG2 ILE A 28 11.813 10.706 5.599 1.00 0.00 C ATOM 427 CD1 ILE A 28 10.478 7.978 5.769 1.00 0.00 C ATOM 0 H ILE A 28 8.880 9.998 2.966 1.00 0.00 H new ATOM 0 HA ILE A 28 9.629 12.041 4.823 1.00 0.00 H new ATOM 0 HB ILE A 28 11.291 9.709 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.308 9.736 6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.039 8.960 4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 28 12.351 9.850 6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 28 12.517 11.376 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.312 11.238 6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.730 7.329 6.225 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.956 7.455 4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.230 8.243 6.513 1.00 0.00 H new ATOM 439 N ASP A 29 11.410 11.652 2.060 1.00 0.00 N ATOM 440 CA ASP A 29 12.264 12.325 1.093 1.00 0.00 C ATOM 441 C ASP A 29 11.561 12.357 -0.252 1.00 0.00 C ATOM 442 O ASP A 29 10.427 11.901 -0.371 1.00 0.00 O ATOM 443 CB ASP A 29 13.614 11.612 0.957 1.00 0.00 C ATOM 444 CG ASP A 29 14.590 11.960 2.064 1.00 0.00 C ATOM 445 OD1 ASP A 29 14.434 11.448 3.195 1.00 0.00 O ATOM 446 OD2 ASP A 29 15.523 12.748 1.810 1.00 0.00 O ATOM 0 H ASP A 29 11.203 10.681 1.827 1.00 0.00 H new ATOM 0 HA ASP A 29 12.454 13.341 1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.449 10.535 0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.058 11.870 -0.004 1.00 0.00 H new ATOM 451 N ASP A 30 12.224 12.888 -1.264 1.00 0.00 N ATOM 452 CA ASP A 30 11.642 12.935 -2.598 1.00 0.00 C ATOM 453 C ASP A 30 11.719 11.558 -3.253 1.00 0.00 C ATOM 454 O ASP A 30 10.778 11.111 -3.909 1.00 0.00 O ATOM 455 CB ASP A 30 12.359 13.973 -3.464 1.00 0.00 C ATOM 456 CG ASP A 30 11.603 14.287 -4.741 1.00 0.00 C ATOM 457 OD1 ASP A 30 11.797 13.579 -5.748 1.00 0.00 O ATOM 458 OD2 ASP A 30 10.800 15.249 -4.738 1.00 0.00 O ATOM 0 H ASP A 30 13.158 13.290 -1.191 1.00 0.00 H new ATOM 0 HA ASP A 30 10.596 13.226 -2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.493 14.890 -2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.354 13.606 -3.716 1.00 0.00 H new ATOM 463 N ASN A 31 12.843 10.883 -3.049 1.00 0.00 N ATOM 464 CA ASN A 31 13.064 9.561 -3.630 1.00 0.00 C ATOM 465 C ASN A 31 12.695 8.457 -2.646 1.00 0.00 C ATOM 466 O ASN A 31 12.545 7.294 -3.026 1.00 0.00 O ATOM 467 CB ASN A 31 14.532 9.382 -4.037 1.00 0.00 C ATOM 468 CG ASN A 31 14.981 10.357 -5.106 1.00 0.00 C ATOM 469 OD1 ASN A 31 14.862 10.087 -6.300 1.00 0.00 O ATOM 470 ND2 ASN A 31 15.522 11.492 -4.684 1.00 0.00 N ATOM 0 H ASN A 31 13.619 11.229 -2.484 1.00 0.00 H new ATOM 0 HA ASN A 31 12.426 9.489 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.163 9.503 -3.157 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.680 8.364 -4.398 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.858 12.179 -5.359 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.602 11.678 -3.684 1.00 0.00 H new ATOM 477 N PHE A 32 12.539 8.825 -1.383 1.00 0.00 N ATOM 478 CA PHE A 32 12.363 7.846 -0.319 1.00 0.00 C ATOM 479 C PHE A 32 11.075 8.118 0.446 1.00 0.00 C ATOM 480 O PHE A 32 10.881 9.205 0.986 1.00 0.00 O ATOM 481 CB PHE A 32 13.558 7.917 0.630 1.00 0.00 C ATOM 482 CG PHE A 32 13.922 6.610 1.268 1.00 0.00 C ATOM 483 CD1 PHE A 32 14.464 5.584 0.510 1.00 0.00 C ATOM 484 CD2 PHE A 32 13.739 6.410 2.624 1.00 0.00 C ATOM 485 CE1 PHE A 32 14.816 4.384 1.096 1.00 0.00 C ATOM 486 CE2 PHE A 32 14.087 5.212 3.215 1.00 0.00 C ATOM 487 CZ PHE A 32 14.627 4.197 2.449 1.00 0.00 C ATOM 0 H PHE A 32 12.531 9.795 -1.069 1.00 0.00 H new ATOM 0 HA PHE A 32 12.300 6.849 -0.756 1.00 0.00 H new ATOM 0 HB2 PHE A 32 14.421 8.292 0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 32 13.341 8.642 1.414 1.00 0.00 H new ATOM 0 HD1 PHE A 32 14.613 5.724 -0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 32 13.319 7.201 3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 32 15.239 3.593 0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 32 13.937 5.068 4.275 1.00 0.00 H new ATOM 0 HZ PHE A 32 14.901 3.259 2.909 1.00 0.00 H new ATOM 497 N VAL A 33 10.202 7.125 0.506 1.00 0.00 N ATOM 498 CA VAL A 33 8.901 7.293 1.141 1.00 0.00 C ATOM 499 C VAL A 33 8.671 6.243 2.222 1.00 0.00 C ATOM 500 O VAL A 33 9.437 5.283 2.349 1.00 0.00 O ATOM 501 CB VAL A 33 7.747 7.223 0.114 1.00 0.00 C ATOM 502 CG1 VAL A 33 7.815 8.394 -0.852 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.776 5.901 -0.644 1.00 0.00 C ATOM 0 H VAL A 33 10.369 6.194 0.124 1.00 0.00 H new ATOM 0 HA VAL A 33 8.906 8.283 1.597 1.00 0.00 H new ATOM 0 HB VAL A 33 6.805 7.283 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.994 8.325 -1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.736 9.329 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.764 8.369 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.955 5.874 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.724 5.806 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.670 5.076 0.060 1.00 0.00 H new ATOM 513 N LEU A 34 7.615 6.436 2.999 1.00 0.00 N ATOM 514 CA LEU A 34 7.249 5.492 4.036 1.00 0.00 C ATOM 515 C LEU A 34 5.943 4.806 3.664 1.00 0.00 C ATOM 516 O LEU A 34 4.896 5.454 3.555 1.00 0.00 O ATOM 517 CB LEU A 34 7.103 6.211 5.380 1.00 0.00 C ATOM 518 CG LEU A 34 6.791 5.307 6.573 1.00 0.00 C ATOM 519 CD1 LEU A 34 7.949 4.358 6.845 1.00 0.00 C ATOM 520 CD2 LEU A 34 6.482 6.143 7.804 1.00 0.00 C ATOM 0 H LEU A 34 6.996 7.243 2.927 1.00 0.00 H new ATOM 0 HA LEU A 34 8.034 4.742 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.027 6.752 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.311 6.955 5.292 1.00 0.00 H new ATOM 0 HG LEU A 34 5.912 4.709 6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.707 3.724 7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.123 3.736 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.848 4.934 7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.262 5.485 8.645 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.343 6.766 8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.619 6.778 7.605 1.00 0.00 H new ATOM 532 N VAL A 35 6.004 3.499 3.462 1.00 0.00 N ATOM 533 CA VAL A 35 4.831 2.741 3.066 1.00 0.00 C ATOM 534 C VAL A 35 4.402 1.788 4.167 1.00 0.00 C ATOM 535 O VAL A 35 5.223 1.303 4.954 1.00 0.00 O ATOM 536 CB VAL A 35 5.060 1.942 1.762 1.00 0.00 C ATOM 537 CG1 VAL A 35 5.333 2.883 0.599 1.00 0.00 C ATOM 538 CG2 VAL A 35 6.201 0.948 1.926 1.00 0.00 C ATOM 0 H VAL A 35 6.853 2.943 3.566 1.00 0.00 H new ATOM 0 HA VAL A 35 4.042 3.470 2.885 1.00 0.00 H new ATOM 0 HB VAL A 35 4.151 1.381 1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.492 2.302 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.480 3.547 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.223 3.475 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.342 0.399 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.117 1.484 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.962 0.249 2.727 1.00 0.00 H new ATOM 548 N THR A 36 3.110 1.543 4.228 1.00 0.00 N ATOM 549 CA THR A 36 2.547 0.611 5.180 1.00 0.00 C ATOM 550 C THR A 36 1.105 0.308 4.777 1.00 0.00 C ATOM 551 O THR A 36 0.636 0.785 3.744 1.00 0.00 O ATOM 552 CB THR A 36 2.610 1.171 6.626 1.00 0.00 C ATOM 553 OG1 THR A 36 2.275 0.151 7.579 1.00 0.00 O ATOM 554 CG2 THR A 36 1.673 2.360 6.798 1.00 0.00 C ATOM 0 H THR A 36 2.421 1.985 3.619 1.00 0.00 H new ATOM 0 HA THR A 36 3.133 -0.308 5.169 1.00 0.00 H new ATOM 0 HB THR A 36 3.632 1.506 6.804 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.959 0.121 8.280 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.739 2.730 7.821 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.959 3.152 6.106 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.649 2.049 6.590 1.00 0.00 H new ATOM 562 N GLY A 37 0.417 -0.486 5.573 1.00 0.00 N ATOM 563 CA GLY A 37 -0.955 -0.813 5.278 1.00 0.00 C ATOM 564 C GLY A 37 -1.733 -1.066 6.541 1.00 0.00 C ATOM 565 O GLY A 37 -1.137 -1.187 7.613 1.00 0.00 O ATOM 0 H GLY A 37 0.786 -0.912 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.415 0.003 4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.993 -1.696 4.640 1.00 0.00 H new ATOM 569 N PRO A 38 -3.063 -1.135 6.459 1.00 0.00 N ATOM 570 CA PRO A 38 -3.895 -1.480 7.604 1.00 0.00 C ATOM 571 C PRO A 38 -3.604 -2.899 8.070 1.00 0.00 C ATOM 572 O PRO A 38 -3.671 -3.844 7.282 1.00 0.00 O ATOM 573 CB PRO A 38 -5.331 -1.364 7.073 1.00 0.00 C ATOM 574 CG PRO A 38 -5.222 -0.583 5.808 1.00 0.00 C ATOM 575 CD PRO A 38 -3.861 -0.884 5.252 1.00 0.00 C ATOM 0 HA PRO A 38 -3.715 -0.834 8.464 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.764 -2.348 6.892 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.976 -0.860 7.792 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.003 -0.870 5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.339 0.484 5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.877 -1.750 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.467 -0.049 4.673 1.00 0.00 H new ATOM 583 N LYS A 39 -3.277 -3.049 9.340 1.00 0.00 N ATOM 584 CA LYS A 39 -2.908 -4.348 9.888 1.00 0.00 C ATOM 585 C LYS A 39 -4.153 -5.187 10.122 1.00 0.00 C ATOM 586 O LYS A 39 -4.103 -6.415 10.121 1.00 0.00 O ATOM 587 CB LYS A 39 -2.121 -4.197 11.197 1.00 0.00 C ATOM 588 CG LYS A 39 -0.720 -3.621 11.023 1.00 0.00 C ATOM 589 CD LYS A 39 -0.749 -2.131 10.726 1.00 0.00 C ATOM 590 CE LYS A 39 0.636 -1.600 10.399 1.00 0.00 C ATOM 591 NZ LYS A 39 0.611 -0.151 10.065 1.00 0.00 N ATOM 0 H LYS A 39 -3.258 -2.286 10.017 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.266 -4.850 9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.684 -3.554 11.874 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.043 -5.173 11.675 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.140 -3.799 11.929 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.212 -4.142 10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.420 -1.939 9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.151 -1.596 11.586 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.298 -1.765 11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.050 -2.159 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.165 0.016 9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.372 0.153 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.022 0.393 10.850 1.00 0.00 H new ATOM 605 N ASP A 40 -5.270 -4.504 10.315 1.00 0.00 N ATOM 606 CA ASP A 40 -6.551 -5.161 10.541 1.00 0.00 C ATOM 607 C ASP A 40 -7.196 -5.558 9.214 1.00 0.00 C ATOM 608 O ASP A 40 -8.095 -6.399 9.168 1.00 0.00 O ATOM 609 CB ASP A 40 -7.465 -4.225 11.340 1.00 0.00 C ATOM 610 CG ASP A 40 -8.868 -4.762 11.533 1.00 0.00 C ATOM 611 OD1 ASP A 40 -9.020 -5.875 12.074 1.00 0.00 O ATOM 612 OD2 ASP A 40 -9.829 -4.050 11.172 1.00 0.00 O ATOM 0 H ASP A 40 -5.317 -3.485 10.320 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.392 -6.075 11.114 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.018 -4.042 12.317 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.521 -3.263 10.830 1.00 0.00 H new ATOM 617 N ILE A 41 -6.708 -4.972 8.128 1.00 0.00 N ATOM 618 CA ILE A 41 -7.259 -5.244 6.806 1.00 0.00 C ATOM 619 C ILE A 41 -6.304 -6.082 5.958 1.00 0.00 C ATOM 620 O ILE A 41 -6.696 -7.106 5.399 1.00 0.00 O ATOM 621 CB ILE A 41 -7.595 -3.942 6.048 1.00 0.00 C ATOM 622 CG1 ILE A 41 -8.666 -3.150 6.803 1.00 0.00 C ATOM 623 CG2 ILE A 41 -8.061 -4.247 4.628 1.00 0.00 C ATOM 624 CD1 ILE A 41 -9.054 -1.859 6.118 1.00 0.00 C ATOM 0 H ILE A 41 -5.934 -4.307 8.136 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.178 -5.807 6.969 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.690 -3.337 5.987 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.553 -3.772 6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.302 -2.925 7.805 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.292 -3.315 4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.271 -4.772 4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.953 -4.872 4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.816 -1.349 6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.177 -1.218 6.027 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.448 -2.078 5.126 1.00 0.00 H new ATOM 636 N THR A 42 -5.058 -5.646 5.862 1.00 0.00 N ATOM 637 CA THR A 42 -4.093 -6.297 4.992 1.00 0.00 C ATOM 638 C THR A 42 -2.990 -6.979 5.805 1.00 0.00 C ATOM 639 O THR A 42 -2.670 -8.145 5.576 1.00 0.00 O ATOM 640 CB THR A 42 -3.462 -5.273 4.034 1.00 0.00 C ATOM 641 OG1 THR A 42 -4.460 -4.339 3.600 1.00 0.00 O ATOM 642 CG2 THR A 42 -2.857 -5.965 2.822 1.00 0.00 C ATOM 0 H THR A 42 -4.692 -4.844 6.376 1.00 0.00 H new ATOM 0 HA THR A 42 -4.623 -7.056 4.417 1.00 0.00 H new ATOM 0 HB THR A 42 -2.669 -4.748 4.567 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.486 -4.320 2.621 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.417 -5.220 2.159 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.085 -6.661 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.635 -6.511 2.288 1.00 0.00 H new ATOM 650 N GLY A 43 -2.421 -6.252 6.758 1.00 0.00 N ATOM 651 CA GLY A 43 -1.359 -6.807 7.577 1.00 0.00 C ATOM 652 C GLY A 43 0.021 -6.344 7.143 1.00 0.00 C ATOM 653 O GLY A 43 1.026 -7.002 7.423 1.00 0.00 O ATOM 0 H GLY A 43 -2.675 -5.289 6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.522 -6.524 8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.403 -7.895 7.533 1.00 0.00 H new ATOM 657 N VAL A 44 0.074 -5.211 6.460 1.00 0.00 N ATOM 658 CA VAL A 44 1.343 -4.656 6.010 1.00 0.00 C ATOM 659 C VAL A 44 1.962 -3.793 7.102 1.00 0.00 C ATOM 660 O VAL A 44 1.345 -2.842 7.580 1.00 0.00 O ATOM 661 CB VAL A 44 1.175 -3.814 4.724 1.00 0.00 C ATOM 662 CG1 VAL A 44 2.516 -3.289 4.240 1.00 0.00 C ATOM 663 CG2 VAL A 44 0.496 -4.628 3.632 1.00 0.00 C ATOM 0 H VAL A 44 -0.744 -4.658 6.205 1.00 0.00 H new ATOM 0 HA VAL A 44 2.002 -5.495 5.787 1.00 0.00 H new ATOM 0 HB VAL A 44 0.541 -2.960 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.371 -2.700 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.962 -2.663 5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.179 -4.127 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.388 -4.016 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.102 -5.505 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.488 -4.947 3.975 1.00 0.00 H new ATOM 673 N LYS A 45 3.184 -4.127 7.490 1.00 0.00 N ATOM 674 CA LYS A 45 3.883 -3.400 8.545 1.00 0.00 C ATOM 675 C LYS A 45 4.487 -2.111 8.001 1.00 0.00 C ATOM 676 O LYS A 45 4.347 -1.799 6.817 1.00 0.00 O ATOM 677 CB LYS A 45 4.985 -4.267 9.170 1.00 0.00 C ATOM 678 CG LYS A 45 4.492 -5.224 10.249 1.00 0.00 C ATOM 679 CD LYS A 45 3.551 -6.288 9.705 1.00 0.00 C ATOM 680 CE LYS A 45 4.256 -7.230 8.741 1.00 0.00 C ATOM 681 NZ LYS A 45 3.344 -8.290 8.235 1.00 0.00 N ATOM 0 H LYS A 45 3.716 -4.900 7.089 1.00 0.00 H new ATOM 0 HA LYS A 45 3.154 -3.151 9.317 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.468 -4.844 8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.745 -3.614 9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.348 -5.708 10.718 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.981 -4.656 11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.134 -6.861 10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.715 -5.808 9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.652 -6.660 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.107 -7.692 9.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.807 -8.805 7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.120 -8.952 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.466 -7.855 7.886 1.00 0.00 H new ATOM 695 N ARG A 46 5.138 -1.356 8.871 1.00 0.00 N ATOM 696 CA ARG A 46 5.777 -0.108 8.477 1.00 0.00 C ATOM 697 C ARG A 46 7.216 -0.354 8.035 1.00 0.00 C ATOM 698 O ARG A 46 8.005 -0.954 8.766 1.00 0.00 O ATOM 699 CB ARG A 46 5.748 0.888 9.642 1.00 0.00 C ATOM 700 CG ARG A 46 6.629 2.113 9.431 1.00 0.00 C ATOM 701 CD ARG A 46 6.620 3.019 10.651 1.00 0.00 C ATOM 702 NE ARG A 46 5.354 3.738 10.799 1.00 0.00 N ATOM 703 CZ ARG A 46 4.663 3.813 11.937 1.00 0.00 C ATOM 704 NH1 ARG A 46 5.056 3.142 13.011 1.00 0.00 N ATOM 705 NH2 ARG A 46 3.567 4.562 11.996 1.00 0.00 N ATOM 0 H ARG A 46 5.239 -1.586 9.860 1.00 0.00 H new ATOM 0 HA ARG A 46 5.225 0.311 7.635 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.721 1.215 9.802 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.065 0.377 10.551 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.650 1.796 9.219 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.280 2.669 8.561 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.803 2.423 11.545 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.436 3.737 10.574 1.00 0.00 H new ATOM 0 HE ARG A 46 4.976 4.212 9.979 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.894 2.562 12.971 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.520 3.206 13.877 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.257 5.077 11.172 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.036 4.622 12.865 1.00 0.00 H new ATOM 719 N ARG A 47 7.548 0.103 6.837 1.00 0.00 N ATOM 720 CA ARG A 47 8.909 0.010 6.336 1.00 0.00 C ATOM 721 C ARG A 47 9.206 1.172 5.400 1.00 0.00 C ATOM 722 O ARG A 47 8.297 1.723 4.773 1.00 0.00 O ATOM 723 CB ARG A 47 9.143 -1.318 5.605 1.00 0.00 C ATOM 724 CG ARG A 47 8.263 -1.513 4.378 1.00 0.00 C ATOM 725 CD ARG A 47 8.621 -2.792 3.636 1.00 0.00 C ATOM 726 NE ARG A 47 9.954 -2.734 3.026 1.00 0.00 N ATOM 727 CZ ARG A 47 10.821 -3.751 3.037 1.00 0.00 C ATOM 728 NH1 ARG A 47 10.520 -4.875 3.675 1.00 0.00 N ATOM 729 NH2 ARG A 47 11.984 -3.650 2.403 1.00 0.00 N ATOM 0 H ARG A 47 6.891 0.543 6.193 1.00 0.00 H new ATOM 0 HA ARG A 47 9.583 0.054 7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.189 -1.375 5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.967 -2.139 6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.216 -1.547 4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.374 -0.659 3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.578 -3.633 4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.878 -2.978 2.861 1.00 0.00 H new ATOM 0 HE ARG A 47 10.235 -1.868 2.567 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.626 -4.964 4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.183 -5.650 3.682 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.220 -2.792 1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.641 -4.430 2.415 1.00 0.00 H new ATOM 743 N ARG A 48 10.470 1.550 5.316 1.00 0.00 N ATOM 744 CA ARG A 48 10.885 2.605 4.409 1.00 0.00 C ATOM 745 C ARG A 48 11.270 1.995 3.069 1.00 0.00 C ATOM 746 O ARG A 48 11.817 0.892 3.026 1.00 0.00 O ATOM 747 CB ARG A 48 12.074 3.375 4.985 1.00 0.00 C ATOM 748 CG ARG A 48 11.831 3.965 6.365 1.00 0.00 C ATOM 749 CD ARG A 48 13.059 4.713 6.870 1.00 0.00 C ATOM 750 NE ARG A 48 14.258 3.874 6.845 1.00 0.00 N ATOM 751 CZ ARG A 48 15.436 4.235 7.347 1.00 0.00 C ATOM 752 NH1 ARG A 48 15.581 5.423 7.923 1.00 0.00 N ATOM 753 NH2 ARG A 48 16.469 3.407 7.266 1.00 0.00 N ATOM 0 H ARG A 48 11.226 1.142 5.865 1.00 0.00 H new ATOM 0 HA ARG A 48 10.056 3.300 4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.934 2.707 5.035 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.336 4.181 4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.979 4.643 6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.575 3.169 7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.223 5.598 6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.880 5.060 7.888 1.00 0.00 H new ATOM 0 HE ARG A 48 14.186 2.952 6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.788 6.062 7.981 1.00 0.00 H new ATOM 0 HH12 ARG A 48 16.486 5.697 8.307 1.00 0.00 H new ATOM 0 HH21 ARG A 48 16.359 2.496 6.820 1.00 0.00 H new ATOM 0 HH22 ARG A 48 17.373 3.681 7.650 1.00 0.00 H new ATOM 767 N VAL A 49 10.980 2.696 1.986 1.00 0.00 N ATOM 768 CA VAL A 49 11.295 2.193 0.657 1.00 0.00 C ATOM 769 C VAL A 49 11.509 3.348 -0.315 1.00 0.00 C ATOM 770 O VAL A 49 11.044 4.466 -0.082 1.00 0.00 O ATOM 771 CB VAL A 49 10.171 1.262 0.139 1.00 0.00 C ATOM 772 CG1 VAL A 49 8.898 2.046 -0.135 1.00 0.00 C ATOM 773 CG2 VAL A 49 10.617 0.488 -1.098 1.00 0.00 C ATOM 0 H VAL A 49 10.529 3.611 1.999 1.00 0.00 H new ATOM 0 HA VAL A 49 12.217 1.616 0.725 1.00 0.00 H new ATOM 0 HB VAL A 49 9.956 0.535 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.125 1.369 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.560 2.524 0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.095 2.808 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.805 -0.156 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.879 1.189 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 49 11.486 -0.122 -0.852 1.00 0.00 H new ATOM 783 N ASN A 50 12.238 3.083 -1.386 1.00 0.00 N ATOM 784 CA ASN A 50 12.457 4.076 -2.421 1.00 0.00 C ATOM 785 C ASN A 50 11.371 3.964 -3.482 1.00 0.00 C ATOM 786 O ASN A 50 10.688 2.944 -3.577 1.00 0.00 O ATOM 787 CB ASN A 50 13.856 3.915 -3.045 1.00 0.00 C ATOM 788 CG ASN A 50 14.096 2.556 -3.699 1.00 0.00 C ATOM 789 OD1 ASN A 50 13.194 1.938 -4.259 1.00 0.00 O ATOM 790 ND2 ASN A 50 15.329 2.081 -3.628 1.00 0.00 N ATOM 0 H ASN A 50 12.689 2.185 -1.561 1.00 0.00 H new ATOM 0 HA ASN A 50 12.406 5.069 -1.974 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.001 4.696 -3.792 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.607 4.071 -2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.552 1.177 -4.045 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.056 2.618 -3.156 1.00 0.00 H new ATOM 797 N ILE A 51 11.208 5.013 -4.272 1.00 0.00 N ATOM 798 CA ILE A 51 10.216 5.025 -5.335 1.00 0.00 C ATOM 799 C ILE A 51 10.750 4.355 -6.597 1.00 0.00 C ATOM 800 O ILE A 51 10.087 4.336 -7.634 1.00 0.00 O ATOM 801 CB ILE A 51 9.795 6.464 -5.673 1.00 0.00 C ATOM 802 CG1 ILE A 51 11.018 7.304 -6.069 1.00 0.00 C ATOM 803 CG2 ILE A 51 9.064 7.091 -4.491 1.00 0.00 C ATOM 804 CD1 ILE A 51 10.675 8.705 -6.525 1.00 0.00 C ATOM 0 H ILE A 51 11.753 5.872 -4.196 1.00 0.00 H new ATOM 0 HA ILE A 51 9.351 4.468 -4.975 1.00 0.00 H new ATOM 0 HB ILE A 51 9.114 6.439 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.696 7.365 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.555 6.793 -6.868 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.771 8.110 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.175 6.504 -4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.723 7.107 -3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.590 9.236 -6.788 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.022 8.654 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.166 9.235 -5.720 1.00 0.00 H new ATOM 816 N LEU A 52 11.942 3.782 -6.494 1.00 0.00 N ATOM 817 CA LEU A 52 12.625 3.218 -7.650 1.00 0.00 C ATOM 818 C LEU A 52 12.180 1.783 -7.917 1.00 0.00 C ATOM 819 O LEU A 52 12.510 1.209 -8.956 1.00 0.00 O ATOM 820 CB LEU A 52 14.148 3.254 -7.461 1.00 0.00 C ATOM 821 CG LEU A 52 14.812 4.634 -7.588 1.00 0.00 C ATOM 822 CD1 LEU A 52 14.442 5.541 -6.424 1.00 0.00 C ATOM 823 CD2 LEU A 52 16.320 4.484 -7.678 1.00 0.00 C ATOM 0 H LEU A 52 12.457 3.696 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 52 12.357 3.832 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.381 2.850 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.601 2.587 -8.194 1.00 0.00 H new ATOM 0 HG LEU A 52 14.443 5.099 -8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.929 6.508 -6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 52 13.361 5.680 -6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.770 5.086 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 52 16.779 5.469 -7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.691 3.991 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 52 16.574 3.884 -8.552 1.00 0.00 H new ATOM 835 N HIS A 53 11.446 1.197 -6.983 1.00 0.00 N ATOM 836 CA HIS A 53 10.996 -0.180 -7.137 1.00 0.00 C ATOM 837 C HIS A 53 9.505 -0.296 -6.831 1.00 0.00 C ATOM 838 O HIS A 53 9.028 -1.338 -6.371 1.00 0.00 O ATOM 839 CB HIS A 53 11.805 -1.107 -6.223 1.00 0.00 C ATOM 840 CG HIS A 53 11.820 -2.536 -6.679 1.00 0.00 C ATOM 841 ND1 HIS A 53 12.502 -2.955 -7.799 1.00 0.00 N ATOM 842 CD2 HIS A 53 11.232 -3.643 -6.167 1.00 0.00 C ATOM 843 CE1 HIS A 53 12.335 -4.252 -7.957 1.00 0.00 C ATOM 844 NE2 HIS A 53 11.569 -4.700 -6.982 1.00 0.00 N ATOM 0 H HIS A 53 11.151 1.648 -6.117 1.00 0.00 H new ATOM 0 HA HIS A 53 11.157 -0.483 -8.172 1.00 0.00 H new ATOM 0 HB2 HIS A 53 12.830 -0.742 -6.165 1.00 0.00 H new ATOM 0 HB3 HIS A 53 11.393 -1.060 -5.215 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.613 -3.688 -5.283 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.756 -4.849 -8.753 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.275 -5.668 -6.853 1.00 0.00 H new ATOM 853 N LEU A 54 8.768 0.772 -7.107 1.00 0.00 N ATOM 854 CA LEU A 54 7.328 0.793 -6.874 1.00 0.00 C ATOM 855 C LEU A 54 6.580 1.267 -8.114 1.00 0.00 C ATOM 856 O LEU A 54 7.035 2.174 -8.817 1.00 0.00 O ATOM 857 CB LEU A 54 6.984 1.709 -5.696 1.00 0.00 C ATOM 858 CG LEU A 54 7.518 1.266 -4.333 1.00 0.00 C ATOM 859 CD1 LEU A 54 7.178 2.302 -3.275 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.946 -0.092 -3.951 1.00 0.00 C ATOM 0 H LEU A 54 9.144 1.638 -7.494 1.00 0.00 H new ATOM 0 HA LEU A 54 7.019 -0.226 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.370 2.706 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.899 1.794 -5.630 1.00 0.00 H new ATOM 0 HG LEU A 54 8.602 1.175 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.563 1.976 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.631 3.257 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.096 2.418 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.337 -0.391 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.859 -0.028 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.232 -0.831 -4.700 1.00 0.00 H new ATOM 872 N GLU A 55 5.443 0.642 -8.386 1.00 0.00 N ATOM 873 CA GLU A 55 4.561 1.081 -9.457 1.00 0.00 C ATOM 874 C GLU A 55 3.190 1.438 -8.894 1.00 0.00 C ATOM 875 O GLU A 55 2.695 0.768 -7.989 1.00 0.00 O ATOM 876 CB GLU A 55 4.420 0.005 -10.537 1.00 0.00 C ATOM 877 CG GLU A 55 5.639 -0.117 -11.435 1.00 0.00 C ATOM 878 CD GLU A 55 5.391 -0.999 -12.639 1.00 0.00 C ATOM 879 OE1 GLU A 55 4.508 -0.660 -13.457 1.00 0.00 O ATOM 880 OE2 GLU A 55 6.088 -2.023 -12.789 1.00 0.00 O ATOM 0 H GLU A 55 5.109 -0.176 -7.876 1.00 0.00 H new ATOM 0 HA GLU A 55 5.003 1.965 -9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.234 -0.956 -10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.548 0.230 -11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.938 0.876 -11.772 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.471 -0.522 -10.859 1.00 0.00 H new ATOM 887 N PRO A 56 2.564 2.501 -9.409 1.00 0.00 N ATOM 888 CA PRO A 56 1.266 2.964 -8.920 1.00 0.00 C ATOM 889 C PRO A 56 0.103 2.142 -9.464 1.00 0.00 C ATOM 890 O PRO A 56 0.099 1.739 -10.632 1.00 0.00 O ATOM 891 CB PRO A 56 1.199 4.394 -9.446 1.00 0.00 C ATOM 892 CG PRO A 56 1.985 4.366 -10.710 1.00 0.00 C ATOM 893 CD PRO A 56 3.075 3.346 -10.507 1.00 0.00 C ATOM 0 HA PRO A 56 1.181 2.878 -7.837 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.169 4.702 -9.626 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.623 5.100 -8.731 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.352 4.096 -11.555 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.406 5.347 -10.928 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.252 2.764 -11.411 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.021 3.818 -10.242 1.00 0.00 H new ATOM 901 N THR A 57 -0.881 1.894 -8.614 1.00 0.00 N ATOM 902 CA THR A 57 -2.088 1.212 -9.035 1.00 0.00 C ATOM 903 C THR A 57 -3.047 2.192 -9.703 1.00 0.00 C ATOM 904 O THR A 57 -2.802 3.400 -9.712 1.00 0.00 O ATOM 905 CB THR A 57 -2.781 0.540 -7.835 1.00 0.00 C ATOM 906 OG1 THR A 57 -2.803 1.441 -6.721 1.00 0.00 O ATOM 907 CG2 THR A 57 -2.070 -0.747 -7.444 1.00 0.00 C ATOM 0 H THR A 57 -0.865 2.156 -7.628 1.00 0.00 H new ATOM 0 HA THR A 57 -1.808 0.442 -9.754 1.00 0.00 H new ATOM 0 HB THR A 57 -3.802 0.292 -8.124 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.683 1.869 -6.664 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.580 -1.201 -6.594 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.081 -1.439 -8.286 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.038 -0.524 -7.171 1.00 0.00 H new ATOM 915 N ASP A 58 -4.127 1.670 -10.266 1.00 0.00 N ATOM 916 CA ASP A 58 -5.130 2.505 -10.922 1.00 0.00 C ATOM 917 C ASP A 58 -5.852 3.388 -9.909 1.00 0.00 C ATOM 918 O ASP A 58 -6.192 4.536 -10.196 1.00 0.00 O ATOM 919 CB ASP A 58 -6.147 1.629 -11.665 1.00 0.00 C ATOM 920 CG ASP A 58 -7.280 2.437 -12.273 1.00 0.00 C ATOM 921 OD1 ASP A 58 -7.075 3.040 -13.346 1.00 0.00 O ATOM 922 OD2 ASP A 58 -8.380 2.470 -11.673 1.00 0.00 O ATOM 0 H ASP A 58 -4.334 0.671 -10.283 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.618 3.147 -11.638 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.637 1.075 -12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.560 0.893 -10.975 1.00 0.00 H new ATOM 927 N LYS A 59 -6.062 2.851 -8.714 1.00 0.00 N ATOM 928 CA LYS A 59 -6.851 3.533 -7.699 1.00 0.00 C ATOM 929 C LYS A 59 -6.039 3.785 -6.434 1.00 0.00 C ATOM 930 O LYS A 59 -5.175 2.987 -6.068 1.00 0.00 O ATOM 931 CB LYS A 59 -8.094 2.708 -7.369 1.00 0.00 C ATOM 932 CG LYS A 59 -8.987 2.480 -8.572 1.00 0.00 C ATOM 933 CD LYS A 59 -10.119 1.518 -8.267 1.00 0.00 C ATOM 934 CE LYS A 59 -10.997 1.294 -9.489 1.00 0.00 C ATOM 935 NZ LYS A 59 -10.224 0.791 -10.660 1.00 0.00 N ATOM 0 H LYS A 59 -5.696 1.944 -8.425 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.151 4.501 -8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.787 1.744 -6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.664 3.215 -6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.401 3.433 -8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.391 2.088 -9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.709 0.565 -7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.723 1.911 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.783 0.580 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.488 2.230 -9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.858 0.266 -11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.808 1.595 -11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.465 0.161 -10.330 1.00 0.00 H new ATOM 949 N LYS A 60 -6.317 4.911 -5.793 1.00 0.00 N ATOM 950 CA LYS A 60 -5.736 5.255 -4.510 1.00 0.00 C ATOM 951 C LYS A 60 -6.792 5.948 -3.648 1.00 0.00 C ATOM 952 O LYS A 60 -7.939 6.088 -4.077 1.00 0.00 O ATOM 953 CB LYS A 60 -4.499 6.143 -4.697 1.00 0.00 C ATOM 954 CG LYS A 60 -4.647 7.254 -5.730 1.00 0.00 C ATOM 955 CD LYS A 60 -5.544 8.379 -5.242 1.00 0.00 C ATOM 956 CE LYS A 60 -5.582 9.517 -6.241 1.00 0.00 C ATOM 957 NZ LYS A 60 -6.050 9.064 -7.580 1.00 0.00 N ATOM 0 H LYS A 60 -6.959 5.616 -6.155 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.410 4.347 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.246 6.593 -3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.658 5.511 -4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.663 7.656 -5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.057 6.839 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.553 8.000 -5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.183 8.746 -4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.242 10.302 -5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.587 9.953 -6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.257 9.892 -8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.309 8.491 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.912 8.492 -7.471 1.00 0.00 H new ATOM 971 N ILE A 61 -6.412 6.386 -2.458 1.00 0.00 N ATOM 972 CA ILE A 61 -7.350 7.056 -1.559 1.00 0.00 C ATOM 973 C ILE A 61 -6.832 8.440 -1.195 1.00 0.00 C ATOM 974 O ILE A 61 -5.723 8.808 -1.575 1.00 0.00 O ATOM 975 CB ILE A 61 -7.610 6.252 -0.264 1.00 0.00 C ATOM 976 CG1 ILE A 61 -6.303 5.986 0.487 1.00 0.00 C ATOM 977 CG2 ILE A 61 -8.313 4.946 -0.589 1.00 0.00 C ATOM 978 CD1 ILE A 61 -6.495 5.293 1.820 1.00 0.00 C ATOM 0 H ILE A 61 -5.465 6.292 -2.090 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.296 7.136 -2.095 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.255 6.845 0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.653 5.375 -0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.790 6.933 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.490 4.389 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.266 5.157 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.688 4.353 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.525 5.138 2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.119 5.912 2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.980 4.329 1.663 1.00 0.00 H new ATOM 990 N ASP A 62 -7.626 9.200 -0.455 1.00 0.00 N ATOM 991 CA ASP A 62 -7.258 10.567 -0.103 1.00 0.00 C ATOM 992 C ASP A 62 -7.277 10.755 1.410 1.00 0.00 C ATOM 993 O ASP A 62 -8.339 10.723 2.034 1.00 0.00 O ATOM 994 CB ASP A 62 -8.219 11.559 -0.764 1.00 0.00 C ATOM 995 CG ASP A 62 -7.766 13.002 -0.635 1.00 0.00 C ATOM 996 OD1 ASP A 62 -7.938 13.595 0.446 1.00 0.00 O ATOM 997 OD2 ASP A 62 -7.273 13.563 -1.635 1.00 0.00 O ATOM 0 H ASP A 62 -8.527 8.896 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.247 10.755 -0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.320 11.309 -1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.207 11.453 -0.315 1.00 0.00 H new ATOM 1002 N ILE A 63 -6.101 10.928 1.995 1.00 0.00 N ATOM 1003 CA ILE A 63 -5.983 11.167 3.427 1.00 0.00 C ATOM 1004 C ILE A 63 -4.950 12.251 3.703 1.00 0.00 C ATOM 1005 O ILE A 63 -4.363 12.804 2.776 1.00 0.00 O ATOM 1006 CB ILE A 63 -5.620 9.877 4.218 1.00 0.00 C ATOM 1007 CG1 ILE A 63 -4.498 9.081 3.529 1.00 0.00 C ATOM 1008 CG2 ILE A 63 -6.843 9.000 4.423 1.00 0.00 C ATOM 1009 CD1 ILE A 63 -3.102 9.600 3.801 1.00 0.00 C ATOM 0 H ILE A 63 -5.211 10.907 1.498 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.962 11.498 3.773 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.252 10.193 5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.555 8.042 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.672 9.089 2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.560 8.106 4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.597 9.552 4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.251 8.712 3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.375 8.980 3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.022 10.629 3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.903 9.565 4.872 1.00 0.00 H new ATOM 1021 N GLN A 64 -4.744 12.561 4.974 1.00 0.00 N ATOM 1022 CA GLN A 64 -3.724 13.517 5.371 1.00 0.00 C ATOM 1023 C GLN A 64 -2.535 12.761 5.958 1.00 0.00 C ATOM 1024 O GLN A 64 -2.696 11.637 6.438 1.00 0.00 O ATOM 1025 CB GLN A 64 -4.298 14.495 6.401 1.00 0.00 C ATOM 1026 CG GLN A 64 -3.945 15.956 6.147 1.00 0.00 C ATOM 1027 CD GLN A 64 -2.455 16.239 6.228 1.00 0.00 C ATOM 1028 OE1 GLN A 64 -1.924 16.530 7.301 1.00 0.00 O ATOM 1029 NE2 GLN A 64 -1.773 16.174 5.094 1.00 0.00 N ATOM 0 H GLN A 64 -5.272 12.162 5.750 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.394 14.087 4.503 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.383 14.393 6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.938 14.214 7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.309 16.244 5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.466 16.580 6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.249 15.929 4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.772 16.368 5.089 1.00 0.00 H new ATOM 1038 N LYS A 65 -1.352 13.365 5.910 1.00 0.00 N ATOM 1039 CA LYS A 65 -0.157 12.732 6.447 1.00 0.00 C ATOM 1040 C LYS A 65 -0.323 12.435 7.933 1.00 0.00 C ATOM 1041 O LYS A 65 -0.826 13.264 8.695 1.00 0.00 O ATOM 1042 CB LYS A 65 1.077 13.614 6.228 1.00 0.00 C ATOM 1043 CG LYS A 65 2.332 13.061 6.887 1.00 0.00 C ATOM 1044 CD LYS A 65 3.561 13.914 6.616 1.00 0.00 C ATOM 1045 CE LYS A 65 3.934 13.911 5.144 1.00 0.00 C ATOM 1046 NZ LYS A 65 5.389 14.132 4.953 1.00 0.00 N ATOM 0 H LYS A 65 -1.197 14.289 5.506 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.013 11.792 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.254 13.722 5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.877 14.611 6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.172 12.992 7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.511 12.048 6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.373 14.937 6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.399 13.541 7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.647 12.959 4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.375 14.689 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.606 14.158 3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.663 15.036 5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.919 13.357 5.400 1.00 0.00 H new ATOM 1060 N GLY A 66 0.097 11.244 8.336 1.00 0.00 N ATOM 1061 CA GLY A 66 -0.005 10.858 9.726 1.00 0.00 C ATOM 1062 C GLY A 66 -1.324 10.185 10.033 1.00 0.00 C ATOM 1063 O GLY A 66 -1.846 10.299 11.143 1.00 0.00 O ATOM 0 H GLY A 66 0.507 10.539 7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.813 10.182 9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.107 11.740 10.356 1.00 0.00 H new ATOM 1067 N ALA A 67 -1.872 9.496 9.042 1.00 0.00 N ATOM 1068 CA ALA A 67 -3.131 8.790 9.210 1.00 0.00 C ATOM 1069 C ALA A 67 -2.923 7.492 9.983 1.00 0.00 C ATOM 1070 O ALA A 67 -1.918 6.801 9.797 1.00 0.00 O ATOM 1071 CB ALA A 67 -3.765 8.514 7.854 1.00 0.00 C ATOM 0 H ALA A 67 -1.462 9.412 8.112 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.808 9.421 9.787 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.708 7.985 7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.951 9.457 7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.091 7.902 7.255 1.00 0.00 H new ATOM 1077 N SER A 68 -3.866 7.174 10.853 1.00 0.00 N ATOM 1078 CA SER A 68 -3.793 5.963 11.652 1.00 0.00 C ATOM 1079 C SER A 68 -4.347 4.774 10.877 1.00 0.00 C ATOM 1080 O SER A 68 -4.911 4.941 9.792 1.00 0.00 O ATOM 1081 CB SER A 68 -4.580 6.157 12.950 1.00 0.00 C ATOM 1082 OG SER A 68 -5.912 6.569 12.680 1.00 0.00 O ATOM 0 H SER A 68 -4.696 7.742 11.025 1.00 0.00 H new ATOM 0 HA SER A 68 -2.749 5.760 11.889 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.591 5.225 13.516 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.084 6.902 13.572 1.00 0.00 H new ATOM 0 HG SER A 68 -6.396 6.685 13.524 1.00 0.00 H new ATOM 1088 N ASP A 69 -4.188 3.578 11.439 1.00 0.00 N ATOM 1089 CA ASP A 69 -4.748 2.361 10.852 1.00 0.00 C ATOM 1090 C ASP A 69 -6.254 2.519 10.692 1.00 0.00 C ATOM 1091 O ASP A 69 -6.845 2.082 9.707 1.00 0.00 O ATOM 1092 CB ASP A 69 -4.447 1.153 11.754 1.00 0.00 C ATOM 1093 CG ASP A 69 -4.914 -0.173 11.173 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -6.103 -0.527 11.347 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -4.082 -0.879 10.566 1.00 0.00 O ATOM 0 H ASP A 69 -3.673 3.424 12.306 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.294 2.195 9.875 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.373 1.103 11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.925 1.305 12.722 1.00 0.00 H new ATOM 1100 N GLU A 70 -6.853 3.196 11.666 1.00 0.00 N ATOM 1101 CA GLU A 70 -8.289 3.419 11.693 1.00 0.00 C ATOM 1102 C GLU A 70 -8.682 4.491 10.673 1.00 0.00 C ATOM 1103 O GLU A 70 -9.696 4.369 9.993 1.00 0.00 O ATOM 1104 CB GLU A 70 -8.704 3.833 13.110 1.00 0.00 C ATOM 1105 CG GLU A 70 -10.073 3.323 13.535 1.00 0.00 C ATOM 1106 CD GLU A 70 -11.192 4.282 13.202 1.00 0.00 C ATOM 1107 OE1 GLU A 70 -11.414 5.232 13.984 1.00 0.00 O ATOM 1108 OE2 GLU A 70 -11.866 4.094 12.171 1.00 0.00 O ATOM 0 H GLU A 70 -6.355 3.604 12.457 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.808 2.499 11.424 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.958 3.468 13.816 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.698 4.921 13.174 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.265 2.367 13.048 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.068 3.139 14.609 1.00 0.00 H new ATOM 1115 N GLU A 71 -7.857 5.529 10.555 1.00 0.00 N ATOM 1116 CA GLU A 71 -8.100 6.612 9.598 1.00 0.00 C ATOM 1117 C GLU A 71 -8.003 6.092 8.166 1.00 0.00 C ATOM 1118 O GLU A 71 -8.863 6.379 7.329 1.00 0.00 O ATOM 1119 CB GLU A 71 -7.091 7.742 9.812 1.00 0.00 C ATOM 1120 CG GLU A 71 -7.493 9.061 9.173 1.00 0.00 C ATOM 1121 CD GLU A 71 -8.668 9.700 9.879 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -8.492 10.161 11.029 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -9.767 9.751 9.297 1.00 0.00 O ATOM 0 H GLU A 71 -7.010 5.645 11.112 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.106 6.998 9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.955 7.896 10.883 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.126 7.434 9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.645 9.745 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.747 8.894 8.126 1.00 0.00 H new ATOM 1130 N VAL A 72 -6.955 5.322 7.891 1.00 0.00 N ATOM 1131 CA VAL A 72 -6.800 4.688 6.588 1.00 0.00 C ATOM 1132 C VAL A 72 -7.961 3.732 6.348 1.00 0.00 C ATOM 1133 O VAL A 72 -8.490 3.641 5.244 1.00 0.00 O ATOM 1134 CB VAL A 72 -5.457 3.925 6.473 1.00 0.00 C ATOM 1135 CG1 VAL A 72 -5.341 3.222 5.125 1.00 0.00 C ATOM 1136 CG2 VAL A 72 -4.285 4.874 6.681 1.00 0.00 C ATOM 0 H VAL A 72 -6.203 5.123 8.551 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.798 5.472 5.831 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.432 3.165 7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.389 2.694 5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.158 2.509 5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.393 3.960 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.350 4.321 6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.313 5.658 5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.353 5.324 7.672 1.00 0.00 H new ATOM 1146 N LYS A 73 -8.362 3.048 7.410 1.00 0.00 N ATOM 1147 CA LYS A 73 -9.492 2.129 7.369 1.00 0.00 C ATOM 1148 C LYS A 73 -10.774 2.857 6.973 1.00 0.00 C ATOM 1149 O LYS A 73 -11.548 2.359 6.155 1.00 0.00 O ATOM 1150 CB LYS A 73 -9.653 1.481 8.740 1.00 0.00 C ATOM 1151 CG LYS A 73 -10.597 0.292 8.783 1.00 0.00 C ATOM 1152 CD LYS A 73 -10.546 -0.397 10.141 1.00 0.00 C ATOM 1153 CE LYS A 73 -9.118 -0.758 10.522 1.00 0.00 C ATOM 1154 NZ LYS A 73 -9.038 -1.454 11.832 1.00 0.00 N ATOM 0 H LYS A 73 -7.914 3.114 8.324 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.301 1.362 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.672 1.159 9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.011 2.235 9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.615 0.624 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.329 -0.418 8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.973 0.258 10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.158 -1.299 10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.689 -1.395 9.749 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.515 0.149 10.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.040 -1.588 12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.513 -0.882 12.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.504 -2.381 11.762 1.00 0.00 H new ATOM 1168 N LYS A 74 -10.989 4.036 7.558 1.00 0.00 N ATOM 1169 CA LYS A 74 -12.148 4.862 7.227 1.00 0.00 C ATOM 1170 C LYS A 74 -12.187 5.154 5.737 1.00 0.00 C ATOM 1171 O LYS A 74 -13.155 4.829 5.054 1.00 0.00 O ATOM 1172 CB LYS A 74 -12.116 6.197 7.975 1.00 0.00 C ATOM 1173 CG LYS A 74 -12.190 6.085 9.485 1.00 0.00 C ATOM 1174 CD LYS A 74 -12.229 7.463 10.121 1.00 0.00 C ATOM 1175 CE LYS A 74 -12.117 7.397 11.634 1.00 0.00 C ATOM 1176 NZ LYS A 74 -13.210 6.597 12.247 1.00 0.00 N ATOM 0 H LYS A 74 -10.374 4.440 8.264 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.034 4.301 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.200 6.724 7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.948 6.810 7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.078 5.521 9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.328 5.531 9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.414 8.068 9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.159 7.962 9.848 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.155 6.962 11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.137 8.408 12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.290 6.835 13.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.108 6.812 11.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.997 5.584 12.146 1.00 0.00 H new ATOM 1190 N LYS A 75 -11.123 5.768 5.242 1.00 0.00 N ATOM 1191 CA LYS A 75 -11.065 6.180 3.844 1.00 0.00 C ATOM 1192 C LYS A 75 -11.050 4.994 2.888 1.00 0.00 C ATOM 1193 O LYS A 75 -11.664 5.052 1.824 1.00 0.00 O ATOM 1194 CB LYS A 75 -9.859 7.079 3.592 1.00 0.00 C ATOM 1195 CG LYS A 75 -10.222 8.554 3.569 1.00 0.00 C ATOM 1196 CD LYS A 75 -11.180 8.860 2.429 1.00 0.00 C ATOM 1197 CE LYS A 75 -11.614 10.315 2.430 1.00 0.00 C ATOM 1198 NZ LYS A 75 -12.516 10.614 1.288 1.00 0.00 N ATOM 0 H LYS A 75 -10.289 5.992 5.784 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.976 6.745 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.113 6.905 4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.401 6.807 2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.679 8.835 4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.318 9.153 3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.701 8.625 1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.058 8.219 2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.123 10.544 3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.735 10.958 2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.712 11.635 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.060 10.324 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.409 10.093 1.405 1.00 0.00 H new ATOM 1212 N LEU A 76 -10.365 3.922 3.263 1.00 0.00 N ATOM 1213 CA LEU A 76 -10.317 2.728 2.428 1.00 0.00 C ATOM 1214 C LEU A 76 -11.723 2.153 2.267 1.00 0.00 C ATOM 1215 O LEU A 76 -12.126 1.755 1.172 1.00 0.00 O ATOM 1216 CB LEU A 76 -9.381 1.683 3.041 1.00 0.00 C ATOM 1217 CG LEU A 76 -9.029 0.508 2.128 1.00 0.00 C ATOM 1218 CD1 LEU A 76 -8.263 0.990 0.907 1.00 0.00 C ATOM 1219 CD2 LEU A 76 -8.222 -0.530 2.889 1.00 0.00 C ATOM 0 H LEU A 76 -9.838 3.854 4.134 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.930 3.000 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.458 2.178 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.843 1.292 3.948 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.956 0.045 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.022 0.139 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.875 1.699 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.342 1.478 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.979 -1.360 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.301 -0.077 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.806 -0.898 3.732 1.00 0.00 H new ATOM 1231 N GLU A 77 -12.467 2.147 3.367 1.00 0.00 N ATOM 1232 CA GLU A 77 -13.847 1.685 3.364 1.00 0.00 C ATOM 1233 C GLU A 77 -14.719 2.661 2.576 1.00 0.00 C ATOM 1234 O GLU A 77 -15.503 2.259 1.712 1.00 0.00 O ATOM 1235 CB GLU A 77 -14.353 1.571 4.804 1.00 0.00 C ATOM 1236 CG GLU A 77 -15.155 0.311 5.092 1.00 0.00 C ATOM 1237 CD GLU A 77 -16.395 0.186 4.235 1.00 0.00 C ATOM 1238 OE1 GLU A 77 -17.332 0.990 4.412 1.00 0.00 O ATOM 1239 OE2 GLU A 77 -16.438 -0.714 3.373 1.00 0.00 O ATOM 0 H GLU A 77 -12.133 2.460 4.278 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.899 0.705 2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.499 1.605 5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.972 2.440 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.521 -0.561 4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.445 0.305 6.143 1.00 0.00 H new ATOM 1246 N GLU A 78 -14.547 3.946 2.869 1.00 0.00 N ATOM 1247 CA GLU A 78 -15.317 5.020 2.246 1.00 0.00 C ATOM 1248 C GLU A 78 -15.184 4.977 0.723 1.00 0.00 C ATOM 1249 O GLU A 78 -16.183 5.007 0.004 1.00 0.00 O ATOM 1250 CB GLU A 78 -14.834 6.368 2.807 1.00 0.00 C ATOM 1251 CG GLU A 78 -15.769 7.547 2.562 1.00 0.00 C ATOM 1252 CD GLU A 78 -15.533 8.233 1.232 1.00 0.00 C ATOM 1253 OE1 GLU A 78 -14.422 8.769 1.024 1.00 0.00 O ATOM 1254 OE2 GLU A 78 -16.463 8.270 0.404 1.00 0.00 O ATOM 0 H GLU A 78 -13.864 4.275 3.551 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.374 4.891 2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.682 6.263 3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.863 6.598 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.801 7.198 2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.644 8.274 3.365 1.00 0.00 H new ATOM 1261 N SER A 79 -13.957 4.876 0.233 1.00 0.00 N ATOM 1262 CA SER A 79 -13.706 4.838 -1.198 1.00 0.00 C ATOM 1263 C SER A 79 -14.027 3.464 -1.797 1.00 0.00 C ATOM 1264 O SER A 79 -13.977 3.288 -3.014 1.00 0.00 O ATOM 1265 CB SER A 79 -12.253 5.211 -1.461 1.00 0.00 C ATOM 1266 OG SER A 79 -11.959 6.493 -0.928 1.00 0.00 O ATOM 0 H SER A 79 -13.117 4.819 0.809 1.00 0.00 H new ATOM 0 HA SER A 79 -14.365 5.558 -1.683 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.595 4.466 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.059 5.205 -2.534 1.00 0.00 H new ATOM 0 HG SER A 79 -11.793 6.417 0.035 1.00 0.00 H new ATOM 1272 N ASN A 80 -14.355 2.499 -0.932 1.00 0.00 N ATOM 1273 CA ASN A 80 -14.746 1.146 -1.359 1.00 0.00 C ATOM 1274 C ASN A 80 -13.562 0.379 -1.948 1.00 0.00 C ATOM 1275 O ASN A 80 -13.746 -0.529 -2.759 1.00 0.00 O ATOM 1276 CB ASN A 80 -15.894 1.174 -2.388 1.00 0.00 C ATOM 1277 CG ASN A 80 -17.245 1.570 -1.808 1.00 0.00 C ATOM 1278 OD1 ASN A 80 -18.281 1.064 -2.233 1.00 0.00 O ATOM 1279 ND2 ASN A 80 -17.255 2.496 -0.864 1.00 0.00 N ATOM 0 H ASN A 80 -14.358 2.630 0.080 1.00 0.00 H new ATOM 0 HA ASN A 80 -15.094 0.633 -0.462 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -15.635 1.871 -3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -15.982 0.188 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -18.141 2.810 -0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.377 2.896 -0.533 1.00 0.00 H new ATOM 1286 N LEU A 81 -12.353 0.714 -1.520 1.00 0.00 N ATOM 1287 CA LEU A 81 -11.160 0.055 -2.046 1.00 0.00 C ATOM 1288 C LEU A 81 -10.705 -1.083 -1.138 1.00 0.00 C ATOM 1289 O LEU A 81 -9.714 -1.750 -1.426 1.00 0.00 O ATOM 1290 CB LEU A 81 -10.018 1.061 -2.229 1.00 0.00 C ATOM 1291 CG LEU A 81 -9.881 1.665 -3.633 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -9.721 0.565 -4.669 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -11.074 2.544 -3.973 1.00 0.00 C ATOM 0 H LEU A 81 -12.170 1.430 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.423 -0.365 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.157 1.874 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.080 0.568 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.989 2.291 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.625 1.009 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.828 -0.019 -4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.595 -0.086 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.948 2.957 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.986 1.948 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.144 3.357 -3.251 1.00 0.00 H new ATOM 1305 N THR A 82 -11.442 -1.308 -0.056 1.00 0.00 N ATOM 1306 CA THR A 82 -11.092 -2.329 0.929 1.00 0.00 C ATOM 1307 C THR A 82 -10.988 -3.715 0.290 1.00 0.00 C ATOM 1308 O THR A 82 -10.023 -4.443 0.524 1.00 0.00 O ATOM 1309 CB THR A 82 -12.133 -2.376 2.060 1.00 0.00 C ATOM 1310 OG1 THR A 82 -12.409 -1.046 2.514 1.00 0.00 O ATOM 1311 CG2 THR A 82 -11.639 -3.222 3.225 1.00 0.00 C ATOM 0 H THR A 82 -12.294 -0.792 0.164 1.00 0.00 H new ATOM 0 HA THR A 82 -10.119 -2.056 1.338 1.00 0.00 H new ATOM 0 HB THR A 82 -13.044 -2.830 1.669 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.849 -1.084 3.389 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.395 -3.237 4.010 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.451 -4.239 2.882 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.716 -2.796 3.619 1.00 0.00 H new ATOM 1319 N GLU A 83 -11.972 -4.055 -0.535 1.00 0.00 N ATOM 1320 CA GLU A 83 -12.030 -5.372 -1.163 1.00 0.00 C ATOM 1321 C GLU A 83 -10.817 -5.586 -2.065 1.00 0.00 C ATOM 1322 O GLU A 83 -10.120 -6.596 -1.967 1.00 0.00 O ATOM 1323 CB GLU A 83 -13.312 -5.503 -1.990 1.00 0.00 C ATOM 1324 CG GLU A 83 -13.861 -6.919 -2.064 1.00 0.00 C ATOM 1325 CD GLU A 83 -14.544 -7.337 -0.778 1.00 0.00 C ATOM 1326 OE1 GLU A 83 -15.728 -6.979 -0.595 1.00 0.00 O ATOM 1327 OE2 GLU A 83 -13.907 -8.018 0.054 1.00 0.00 O ATOM 0 H GLU A 83 -12.743 -3.436 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.027 -6.129 -0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.075 -4.851 -1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.117 -5.147 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.570 -6.989 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.048 -7.611 -2.283 1.00 0.00 H new ATOM 1334 N TYR A 84 -10.561 -4.605 -2.926 1.00 0.00 N ATOM 1335 CA TYR A 84 -9.469 -4.680 -3.891 1.00 0.00 C ATOM 1336 C TYR A 84 -8.106 -4.621 -3.198 1.00 0.00 C ATOM 1337 O TYR A 84 -7.119 -5.164 -3.700 1.00 0.00 O ATOM 1338 CB TYR A 84 -9.604 -3.541 -4.909 1.00 0.00 C ATOM 1339 CG TYR A 84 -8.455 -3.447 -5.889 1.00 0.00 C ATOM 1340 CD1 TYR A 84 -8.268 -4.409 -6.874 1.00 0.00 C ATOM 1341 CD2 TYR A 84 -7.562 -2.384 -5.834 1.00 0.00 C ATOM 1342 CE1 TYR A 84 -7.217 -4.321 -7.768 1.00 0.00 C ATOM 1343 CE2 TYR A 84 -6.508 -2.289 -6.723 1.00 0.00 C ATOM 1344 CZ TYR A 84 -6.344 -3.257 -7.691 1.00 0.00 C ATOM 1345 OH TYR A 84 -5.297 -3.164 -8.582 1.00 0.00 O ATOM 0 H TYR A 84 -11.101 -3.741 -2.974 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.531 -5.637 -4.409 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.532 -3.674 -5.465 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.687 -2.596 -4.372 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.955 -5.239 -6.942 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.694 -1.619 -5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.081 -5.082 -8.522 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.817 -1.461 -6.660 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.777 -2.355 -8.392 1.00 0.00 H new ATOM 1355 N MET A 85 -8.052 -3.967 -2.049 1.00 0.00 N ATOM 1356 CA MET A 85 -6.807 -3.847 -1.301 1.00 0.00 C ATOM 1357 C MET A 85 -6.479 -5.178 -0.627 1.00 0.00 C ATOM 1358 O MET A 85 -5.345 -5.652 -0.682 1.00 0.00 O ATOM 1359 CB MET A 85 -6.922 -2.729 -0.257 1.00 0.00 C ATOM 1360 CG MET A 85 -5.607 -2.027 0.061 1.00 0.00 C ATOM 1361 SD MET A 85 -4.388 -3.105 0.839 1.00 0.00 S ATOM 1362 CE MET A 85 -3.023 -1.966 1.054 1.00 0.00 C ATOM 0 H MET A 85 -8.853 -3.511 -1.613 1.00 0.00 H new ATOM 0 HA MET A 85 -6.000 -3.593 -1.988 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.638 -1.989 -0.613 1.00 0.00 H new ATOM 0 HB3 MET A 85 -7.328 -3.148 0.664 1.00 0.00 H new ATOM 0 HG2 MET A 85 -5.188 -1.623 -0.860 1.00 0.00 H new ATOM 0 HG3 MET A 85 -5.805 -1.181 0.719 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.188 -2.484 1.525 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.711 -1.584 0.082 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.338 -1.136 1.686 1.00 0.00 H new ATOM 1372 N LYS A 86 -7.493 -5.789 -0.021 1.00 0.00 N ATOM 1373 CA LYS A 86 -7.319 -7.051 0.690 1.00 0.00 C ATOM 1374 C LYS A 86 -7.053 -8.202 -0.286 1.00 0.00 C ATOM 1375 O LYS A 86 -6.431 -9.201 0.075 1.00 0.00 O ATOM 1376 CB LYS A 86 -8.566 -7.354 1.529 1.00 0.00 C ATOM 1377 CG LYS A 86 -8.447 -8.610 2.384 1.00 0.00 C ATOM 1378 CD LYS A 86 -9.772 -8.983 3.040 1.00 0.00 C ATOM 1379 CE LYS A 86 -10.210 -7.952 4.071 1.00 0.00 C ATOM 1380 NZ LYS A 86 -9.322 -7.938 5.267 1.00 0.00 N ATOM 0 H LYS A 86 -8.447 -5.429 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.455 -6.956 1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.770 -6.503 2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.423 -7.460 0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.103 -9.439 1.765 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.692 -8.454 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.541 -9.078 2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.677 -9.957 3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.215 -6.963 3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.233 -8.164 4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.741 -7.335 6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.215 -8.906 5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.389 -7.563 5.002 1.00 0.00 H new ATOM 1394 N GLU A 87 -7.541 -8.052 -1.512 1.00 0.00 N ATOM 1395 CA GLU A 87 -7.380 -9.072 -2.541 1.00 0.00 C ATOM 1396 C GLU A 87 -5.902 -9.363 -2.800 1.00 0.00 C ATOM 1397 O GLU A 87 -5.130 -8.472 -3.164 1.00 0.00 O ATOM 1398 CB GLU A 87 -8.065 -8.627 -3.834 1.00 0.00 C ATOM 1399 CG GLU A 87 -8.018 -9.663 -4.945 1.00 0.00 C ATOM 1400 CD GLU A 87 -8.727 -9.203 -6.201 1.00 0.00 C ATOM 1401 OE1 GLU A 87 -9.964 -9.356 -6.284 1.00 0.00 O ATOM 1402 OE2 GLU A 87 -8.055 -8.683 -7.117 1.00 0.00 O ATOM 0 H GLU A 87 -8.056 -7.227 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.849 -9.990 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.106 -8.388 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.593 -7.710 -4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.978 -9.890 -5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.474 -10.588 -4.593 1.00 0.00 H new ATOM 1409 N LYS A 88 -5.525 -10.617 -2.615 1.00 0.00 N ATOM 1410 CA LYS A 88 -4.145 -11.041 -2.799 1.00 0.00 C ATOM 1411 C LYS A 88 -4.008 -11.854 -4.082 1.00 0.00 C ATOM 1412 O LYS A 88 -4.990 -12.386 -4.600 1.00 0.00 O ATOM 1413 CB LYS A 88 -3.655 -11.872 -1.600 1.00 0.00 C ATOM 1414 CG LYS A 88 -4.252 -13.276 -1.512 1.00 0.00 C ATOM 1415 CD LYS A 88 -5.729 -13.254 -1.150 1.00 0.00 C ATOM 1416 CE LYS A 88 -6.317 -14.656 -1.086 1.00 0.00 C ATOM 1417 NZ LYS A 88 -5.635 -15.504 -0.074 1.00 0.00 N ATOM 0 H LYS A 88 -6.160 -11.365 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.527 -10.146 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.569 -11.956 -1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.889 -11.334 -0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.122 -13.784 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.706 -13.854 -0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.860 -12.761 -0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.275 -12.664 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.379 -14.592 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.237 -15.127 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.188 -16.371 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.685 -15.755 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.554 -14.980 0.821 1.00 0.00 H new