USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 671 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -53:sc= 0.0589 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 162:sc= -0.954 (180deg=-2.06!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.997 K(o=-1,f=-6.5!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -127:sc= -0.0102 (180deg=-1.28) USER MOD Single : A 35 LYS NZ :NH3+ -160:sc=-0.00514 (180deg=-0.109) USER MOD Single : A 38 GLN : amide:sc= -2.76! K(o=-2.8!,f=-1.1) USER MOD Single : A 40 TYR OH : rot 150:sc= -0.317 USER MOD Single : A 42 GLN : amide:sc=-0.00824 X(o=-0.0082,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.11 X(o=-1.1,f=-1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 101:sc= -0.0925 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc=-0.00929 X(o=-0.0093,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 58:sc= -1.17 USER MOD Single : A 86 ASN : amide:sc= -5.26! C(o=-5.3!,f=-14!) USER MOD Single : A 91 SER OG : rot 180:sc= -0.89 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.539 -14.885 -3.210 1.00 0.00 N ATOM 60 CA GLY A 7 -5.282 -13.476 -2.962 1.00 0.00 C ATOM 61 C GLY A 7 -5.380 -12.665 -4.255 1.00 0.00 C ATOM 62 O GLY A 7 -5.998 -13.105 -5.223 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.998 -13.095 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.290 -13.355 -2.527 1.00 0.00 H new ATOM 66 N MET A 8 -4.761 -11.493 -4.229 1.00 0.00 N ATOM 67 CA MET A 8 -4.771 -10.616 -5.387 1.00 0.00 C ATOM 68 C MET A 8 -3.555 -9.687 -5.381 1.00 0.00 C ATOM 69 O MET A 8 -2.967 -9.435 -4.331 1.00 0.00 O ATOM 70 CB MET A 8 -6.053 -9.781 -5.384 1.00 0.00 C ATOM 71 CG MET A 8 -6.271 -9.116 -4.024 1.00 0.00 C ATOM 72 SD MET A 8 -8.014 -9.063 -3.642 1.00 0.00 S ATOM 73 CE MET A 8 -8.516 -7.696 -4.674 1.00 0.00 C ATOM 0 H MET A 8 -4.250 -11.131 -3.424 1.00 0.00 H new ATOM 0 HA MET A 8 -4.730 -11.231 -6.286 1.00 0.00 H new ATOM 0 HB2 MET A 8 -5.996 -9.018 -6.161 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.906 -10.417 -5.623 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.737 -9.668 -3.250 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.862 -8.106 -4.034 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.586 -7.525 -4.556 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.971 -6.799 -4.380 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.298 -7.928 -5.717 1.00 0.00 H new ATOM 83 N THR A 9 -3.215 -9.203 -6.567 1.00 0.00 N ATOM 84 CA THR A 9 -2.080 -8.307 -6.711 1.00 0.00 C ATOM 85 C THR A 9 -2.560 -6.873 -6.947 1.00 0.00 C ATOM 86 O THR A 9 -2.934 -6.515 -8.063 1.00 0.00 O ATOM 87 CB THR A 9 -1.194 -8.844 -7.837 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.384 -9.829 -7.201 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.190 -7.804 -8.339 1.00 0.00 C ATOM 0 H THR A 9 -3.705 -9.414 -7.436 1.00 0.00 H new ATOM 0 HA THR A 9 -1.485 -8.272 -5.798 1.00 0.00 H new ATOM 0 HB THR A 9 -1.820 -9.173 -8.666 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.221 -10.230 -7.860 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.413 -8.236 -9.137 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.726 -6.935 -8.720 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.459 -7.499 -7.518 1.00 0.00 H new ATOM 97 N VAL A 10 -2.532 -6.090 -5.878 1.00 0.00 N ATOM 98 CA VAL A 10 -2.959 -4.704 -5.955 1.00 0.00 C ATOM 99 C VAL A 10 -1.740 -3.812 -6.200 1.00 0.00 C ATOM 100 O VAL A 10 -0.826 -3.764 -5.378 1.00 0.00 O ATOM 101 CB VAL A 10 -3.733 -4.324 -4.690 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.137 -2.848 -4.717 1.00 0.00 C ATOM 103 CG2 VAL A 10 -4.956 -5.224 -4.505 1.00 0.00 C ATOM 0 H VAL A 10 -2.220 -6.390 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.641 -4.560 -6.793 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.074 -4.475 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.685 -2.604 -3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.243 -2.227 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.771 -2.660 -5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.488 -4.933 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.618 -5.119 -5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.634 -6.262 -4.419 1.00 0.00 H new ATOM 113 N ARG A 11 -1.766 -3.128 -7.334 1.00 0.00 N ATOM 114 CA ARG A 11 -0.674 -2.240 -7.698 1.00 0.00 C ATOM 115 C ARG A 11 -0.840 -0.885 -7.008 1.00 0.00 C ATOM 116 O ARG A 11 -1.943 -0.344 -6.950 1.00 0.00 O ATOM 117 CB ARG A 11 -0.617 -2.030 -9.212 1.00 0.00 C ATOM 118 CG ARG A 11 0.308 -3.055 -9.873 1.00 0.00 C ATOM 119 CD ARG A 11 -0.289 -3.564 -11.187 1.00 0.00 C ATOM 120 NE ARG A 11 0.628 -4.543 -11.813 1.00 0.00 N ATOM 121 CZ ARG A 11 0.585 -4.892 -13.106 1.00 0.00 C ATOM 122 NH1 ARG A 11 -0.329 -4.343 -13.918 1.00 0.00 N ATOM 123 NH2 ARG A 11 1.457 -5.789 -13.587 1.00 0.00 N ATOM 0 H ARG A 11 -2.526 -3.170 -8.013 1.00 0.00 H new ATOM 0 HA ARG A 11 0.256 -2.706 -7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.619 -2.115 -9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.264 -1.022 -9.430 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.282 -2.603 -10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.472 -3.893 -9.195 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.258 -4.028 -11.001 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.461 -2.729 -11.866 1.00 0.00 H new ATOM 0 HE ARG A 11 1.337 -4.979 -11.223 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.992 -3.660 -13.552 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.362 -4.609 -14.902 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.153 -6.206 -12.969 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.424 -6.055 -14.571 1.00 0.00 H new ATOM 137 N VAL A 12 0.273 -0.375 -6.501 1.00 0.00 N ATOM 138 CA VAL A 12 0.265 0.907 -5.817 1.00 0.00 C ATOM 139 C VAL A 12 1.210 1.871 -6.538 1.00 0.00 C ATOM 140 O VAL A 12 2.380 1.986 -6.175 1.00 0.00 O ATOM 141 CB VAL A 12 0.620 0.715 -4.341 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.817 2.063 -3.645 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.445 -0.121 -3.626 1.00 0.00 C ATOM 0 H VAL A 12 1.186 -0.826 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.732 1.347 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 12 1.563 0.171 -4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.068 1.898 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.626 2.609 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.103 2.644 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.169 -0.243 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.409 0.384 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.517 -1.101 -4.099 1.00 0.00 H new ATOM 153 N CYS A 13 0.668 2.537 -7.546 1.00 0.00 N ATOM 154 CA CYS A 13 1.448 3.487 -8.321 1.00 0.00 C ATOM 155 C CYS A 13 1.769 4.687 -7.428 1.00 0.00 C ATOM 156 O CYS A 13 1.099 5.717 -7.502 1.00 0.00 O ATOM 157 CB CYS A 13 0.721 3.906 -9.601 1.00 0.00 C ATOM 158 SG CYS A 13 1.551 5.357 -10.346 1.00 0.00 S ATOM 0 H CYS A 13 -0.302 2.438 -7.844 1.00 0.00 H new ATOM 0 HA CYS A 13 2.377 3.019 -8.646 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.711 3.079 -10.311 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.318 4.147 -9.377 1.00 0.00 H new ATOM 0 HG CYS A 13 1.668 6.295 -9.454 1.00 0.00 H new ATOM 164 N LYS A 14 2.793 4.515 -6.605 1.00 0.00 N ATOM 165 CA LYS A 14 3.210 5.572 -5.699 1.00 0.00 C ATOM 166 C LYS A 14 3.131 6.918 -6.421 1.00 0.00 C ATOM 167 O LYS A 14 3.232 6.977 -7.646 1.00 0.00 O ATOM 168 CB LYS A 14 4.593 5.265 -5.120 1.00 0.00 C ATOM 169 CG LYS A 14 4.498 4.240 -3.989 1.00 0.00 C ATOM 170 CD LYS A 14 5.781 4.224 -3.154 1.00 0.00 C ATOM 171 CE LYS A 14 6.973 3.755 -3.990 1.00 0.00 C ATOM 172 NZ LYS A 14 8.204 3.729 -3.168 1.00 0.00 N ATOM 0 H LYS A 14 3.346 3.660 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 14 2.536 5.629 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.244 4.884 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.047 6.183 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.647 4.476 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.319 3.249 -4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.977 5.222 -2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.652 3.565 -2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.775 2.761 -4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.112 4.420 -4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.004 3.408 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.400 4.684 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.074 3.076 -2.369 1.00 0.00 H new ATOM 237 N VAL A 19 5.380 1.788 -9.135 1.00 0.00 N ATOM 238 CA VAL A 19 4.254 1.053 -8.585 1.00 0.00 C ATOM 239 C VAL A 19 4.772 -0.159 -7.809 1.00 0.00 C ATOM 240 O VAL A 19 5.780 -0.756 -8.184 1.00 0.00 O ATOM 241 CB VAL A 19 3.279 0.676 -9.703 1.00 0.00 C ATOM 242 CG1 VAL A 19 4.023 0.082 -10.901 1.00 0.00 C ATOM 243 CG2 VAL A 19 2.205 -0.287 -9.192 1.00 0.00 C ATOM 0 HA VAL A 19 3.698 1.675 -7.883 1.00 0.00 H new ATOM 0 HB VAL A 19 2.781 1.587 -10.035 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.308 -0.177 -11.681 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.733 0.813 -11.288 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.560 -0.814 -10.588 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.525 -0.539 -10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.678 -1.196 -8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.645 0.187 -8.386 1.00 0.00 H new ATOM 253 N MET A 20 4.058 -0.488 -6.742 1.00 0.00 N ATOM 254 CA MET A 20 4.434 -1.618 -5.910 1.00 0.00 C ATOM 255 C MET A 20 3.304 -2.648 -5.842 1.00 0.00 C ATOM 256 O MET A 20 2.181 -2.318 -5.463 1.00 0.00 O ATOM 257 CB MET A 20 4.763 -1.127 -4.499 1.00 0.00 C ATOM 258 CG MET A 20 6.252 -0.804 -4.365 1.00 0.00 C ATOM 259 SD MET A 20 6.525 0.236 -2.940 1.00 0.00 S ATOM 260 CE MET A 20 5.221 -0.353 -1.872 1.00 0.00 C ATOM 0 H MET A 20 3.221 0.008 -6.435 1.00 0.00 H new ATOM 0 HA MET A 20 5.309 -2.095 -6.351 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.173 -0.239 -4.272 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.485 -1.889 -3.771 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.825 -1.726 -4.268 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.606 -0.302 -5.265 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.430 -0.056 -0.844 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.270 0.076 -2.188 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.166 -1.440 -1.931 1.00 0.00 H new ATOM 270 N PRO A 21 3.649 -3.906 -6.224 1.00 0.00 N ATOM 271 CA PRO A 21 2.677 -4.986 -6.209 1.00 0.00 C ATOM 272 C PRO A 21 2.402 -5.458 -4.780 1.00 0.00 C ATOM 273 O PRO A 21 3.255 -6.087 -4.156 1.00 0.00 O ATOM 274 CB PRO A 21 3.280 -6.070 -7.087 1.00 0.00 C ATOM 275 CG PRO A 21 4.763 -5.752 -7.183 1.00 0.00 C ATOM 276 CD PRO A 21 4.969 -4.333 -6.678 1.00 0.00 C ATOM 0 HA PRO A 21 1.703 -4.680 -6.590 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.120 -7.057 -6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.817 -6.076 -8.074 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.344 -6.457 -6.588 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.107 -5.844 -8.213 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.696 -4.303 -5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.346 -3.683 -7.467 1.00 0.00 H new ATOM 284 N VAL A 22 1.209 -5.135 -4.303 1.00 0.00 N ATOM 285 CA VAL A 22 0.812 -5.519 -2.959 1.00 0.00 C ATOM 286 C VAL A 22 -0.130 -6.722 -3.034 1.00 0.00 C ATOM 287 O VAL A 22 -0.849 -6.892 -4.017 1.00 0.00 O ATOM 288 CB VAL A 22 0.195 -4.321 -2.234 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.246 -4.703 -0.820 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.165 -3.138 -2.205 1.00 0.00 C ATOM 0 H VAL A 22 0.505 -4.612 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 22 1.681 -5.823 -2.376 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.691 -4.014 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.681 -3.833 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.989 -5.499 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.617 -5.049 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.702 -2.300 -1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.078 -3.429 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.408 -2.841 -3.225 1.00 0.00 H new ATOM 300 N VAL A 23 -0.096 -7.526 -1.982 1.00 0.00 N ATOM 301 CA VAL A 23 -0.938 -8.709 -1.916 1.00 0.00 C ATOM 302 C VAL A 23 -1.947 -8.548 -0.777 1.00 0.00 C ATOM 303 O VAL A 23 -1.633 -7.961 0.258 1.00 0.00 O ATOM 304 CB VAL A 23 -0.070 -9.961 -1.774 1.00 0.00 C ATOM 305 CG1 VAL A 23 0.705 -9.945 -0.455 1.00 0.00 C ATOM 306 CG2 VAL A 23 -0.916 -11.230 -1.898 1.00 0.00 C ATOM 0 H VAL A 23 0.501 -7.382 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.506 -8.827 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 23 0.655 -9.960 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.314 -10.846 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.351 -9.067 -0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.004 -9.910 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.276 -12.106 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.674 -11.240 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.401 -11.250 -2.874 1.00 0.00 H new ATOM 316 N VAL A 24 -3.138 -9.080 -1.005 1.00 0.00 N ATOM 317 CA VAL A 24 -4.195 -9.004 -0.011 1.00 0.00 C ATOM 318 C VAL A 24 -5.211 -10.119 -0.266 1.00 0.00 C ATOM 319 O VAL A 24 -5.151 -10.796 -1.291 1.00 0.00 O ATOM 320 CB VAL A 24 -4.824 -7.609 -0.023 1.00 0.00 C ATOM 321 CG1 VAL A 24 -3.853 -6.565 0.533 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.291 -7.230 -1.430 1.00 0.00 C ATOM 0 H VAL A 24 -3.395 -9.566 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.790 -9.156 0.989 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.700 -7.631 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.325 -5.583 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.592 -6.822 1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.950 -6.546 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.734 -6.234 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.439 -7.235 -2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.033 -7.951 -1.773 1.00 0.00 H new ATOM 332 N VAL A 25 -6.119 -10.277 0.686 1.00 0.00 N ATOM 333 CA VAL A 25 -7.146 -11.300 0.578 1.00 0.00 C ATOM 334 C VAL A 25 -8.142 -10.903 -0.514 1.00 0.00 C ATOM 335 O VAL A 25 -8.282 -9.723 -0.832 1.00 0.00 O ATOM 336 CB VAL A 25 -7.809 -11.522 1.939 1.00 0.00 C ATOM 337 CG1 VAL A 25 -6.781 -11.961 2.984 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.554 -10.267 2.397 1.00 0.00 C ATOM 0 H VAL A 25 -6.165 -9.714 1.535 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.706 -12.254 0.286 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.539 -12.324 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.278 -12.112 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.315 -12.893 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.017 -11.191 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.016 -10.452 3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.852 -9.438 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.326 -10.016 1.669 1.00 0.00 H new ATOM 348 N GLN A 26 -8.807 -11.911 -1.059 1.00 0.00 N ATOM 349 CA GLN A 26 -9.785 -11.682 -2.109 1.00 0.00 C ATOM 350 C GLN A 26 -10.859 -10.703 -1.629 1.00 0.00 C ATOM 351 O GLN A 26 -11.550 -10.088 -2.440 1.00 0.00 O ATOM 352 CB GLN A 26 -10.411 -12.999 -2.571 1.00 0.00 C ATOM 353 CG GLN A 26 -10.364 -13.124 -4.095 1.00 0.00 C ATOM 354 CD GLN A 26 -11.631 -12.549 -4.732 1.00 0.00 C ATOM 355 OE1 GLN A 26 -11.637 -11.469 -5.299 1.00 0.00 O ATOM 356 NE2 GLN A 26 -12.701 -13.330 -4.607 1.00 0.00 N ATOM 0 H GLN A 26 -8.688 -12.888 -0.793 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.275 -11.240 -2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.881 -13.836 -2.117 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.445 -13.054 -2.230 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.489 -12.600 -4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.256 -14.172 -4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.626 -14.223 -4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.596 -13.036 -4.998 1.00 0.00 H new ATOM 365 N ASN A 27 -10.965 -10.588 -0.314 1.00 0.00 N ATOM 366 CA ASN A 27 -11.942 -9.694 0.283 1.00 0.00 C ATOM 367 C ASN A 27 -11.240 -8.769 1.279 1.00 0.00 C ATOM 368 O ASN A 27 -11.586 -8.744 2.459 1.00 0.00 O ATOM 369 CB ASN A 27 -13.015 -10.478 1.042 1.00 0.00 C ATOM 370 CG ASN A 27 -13.774 -11.418 0.103 1.00 0.00 C ATOM 371 OD1 ASN A 27 -13.207 -12.065 -0.761 1.00 0.00 O ATOM 372 ND2 ASN A 27 -15.086 -11.456 0.321 1.00 0.00 N ATOM 0 H ASN A 27 -10.390 -11.099 0.355 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.411 -9.124 -0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.551 -11.054 1.843 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.713 -9.785 1.511 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.681 -12.053 -0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -15.497 -10.888 1.062 1.00 0.00 H new ATOM 379 N ALA A 28 -10.266 -8.030 0.766 1.00 0.00 N ATOM 380 CA ALA A 28 -9.512 -7.106 1.596 1.00 0.00 C ATOM 381 C ALA A 28 -10.214 -5.746 1.604 1.00 0.00 C ATOM 382 O ALA A 28 -11.220 -5.559 0.921 1.00 0.00 O ATOM 383 CB ALA A 28 -8.074 -7.017 1.083 1.00 0.00 C ATOM 0 H ALA A 28 -9.982 -8.053 -0.213 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.469 -7.461 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.508 -6.324 1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.611 -8.003 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.077 -6.661 0.053 1.00 0.00 H new ATOM 389 N THR A 29 -9.656 -4.833 2.385 1.00 0.00 N ATOM 390 CA THR A 29 -10.215 -3.496 2.491 1.00 0.00 C ATOM 391 C THR A 29 -9.120 -2.444 2.308 1.00 0.00 C ATOM 392 O THR A 29 -7.963 -2.782 2.065 1.00 0.00 O ATOM 393 CB THR A 29 -10.940 -3.392 3.835 1.00 0.00 C ATOM 394 OG1 THR A 29 -9.905 -3.559 4.801 1.00 0.00 O ATOM 395 CG2 THR A 29 -11.879 -4.574 4.087 1.00 0.00 C ATOM 0 H THR A 29 -8.822 -4.993 2.951 1.00 0.00 H new ATOM 0 HA THR A 29 -10.939 -3.306 1.699 1.00 0.00 H new ATOM 0 HB THR A 29 -11.509 -2.463 3.870 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.286 -3.504 5.702 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.368 -4.451 5.053 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.633 -4.613 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.305 -5.501 4.086 1.00 0.00 H new ATOM 403 N VAL A 30 -9.524 -1.188 2.433 1.00 0.00 N ATOM 404 CA VAL A 30 -8.592 -0.084 2.285 1.00 0.00 C ATOM 405 C VAL A 30 -7.502 -0.195 3.353 1.00 0.00 C ATOM 406 O VAL A 30 -6.329 0.052 3.077 1.00 0.00 O ATOM 407 CB VAL A 30 -9.345 1.247 2.335 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.372 2.429 2.310 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.358 1.347 1.193 1.00 0.00 C ATOM 0 H VAL A 30 -10.485 -0.911 2.635 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.100 -0.127 1.313 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.895 1.286 3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.933 3.363 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.707 2.371 3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.782 2.396 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.879 2.302 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.838 1.276 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.080 0.534 1.275 1.00 0.00 H new ATOM 419 N LEU A 31 -7.929 -0.566 4.551 1.00 0.00 N ATOM 420 CA LEU A 31 -7.004 -0.713 5.663 1.00 0.00 C ATOM 421 C LEU A 31 -5.934 -1.744 5.298 1.00 0.00 C ATOM 422 O LEU A 31 -4.755 -1.410 5.194 1.00 0.00 O ATOM 423 CB LEU A 31 -7.762 -1.042 6.950 1.00 0.00 C ATOM 424 CG LEU A 31 -7.735 0.033 8.038 1.00 0.00 C ATOM 425 CD1 LEU A 31 -8.693 -0.315 9.178 1.00 0.00 C ATOM 426 CD2 LEU A 31 -6.309 0.269 8.541 1.00 0.00 C ATOM 0 H LEU A 31 -8.903 -0.769 4.776 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.488 0.227 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.802 -1.245 6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.350 -1.962 7.366 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.082 0.969 7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.654 0.466 9.937 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.708 -0.392 8.789 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.401 -1.267 9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.318 1.038 9.314 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.911 -0.657 8.956 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.680 0.595 7.712 1.00 0.00 H new ATOM 438 N ASP A 32 -6.385 -2.976 5.113 1.00 0.00 N ATOM 439 CA ASP A 32 -5.481 -4.059 4.762 1.00 0.00 C ATOM 440 C ASP A 32 -4.455 -3.551 3.747 1.00 0.00 C ATOM 441 O ASP A 32 -3.250 -3.641 3.978 1.00 0.00 O ATOM 442 CB ASP A 32 -6.239 -5.225 4.125 1.00 0.00 C ATOM 443 CG ASP A 32 -6.023 -6.582 4.799 1.00 0.00 C ATOM 444 OD1 ASP A 32 -5.235 -6.614 5.768 1.00 0.00 O ATOM 445 OD2 ASP A 32 -6.650 -7.555 4.329 1.00 0.00 O ATOM 0 H ASP A 32 -7.364 -3.249 5.199 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.994 -4.402 5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.305 -4.996 4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.942 -5.304 3.079 1.00 0.00 H new ATOM 450 N LEU A 33 -4.970 -3.029 2.643 1.00 0.00 N ATOM 451 CA LEU A 33 -4.114 -2.507 1.592 1.00 0.00 C ATOM 452 C LEU A 33 -2.936 -1.761 2.222 1.00 0.00 C ATOM 453 O LEU A 33 -1.781 -2.026 1.893 1.00 0.00 O ATOM 454 CB LEU A 33 -4.925 -1.659 0.611 1.00 0.00 C ATOM 455 CG LEU A 33 -4.554 -1.801 -0.866 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.269 -1.035 -1.185 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.458 -3.274 -1.268 1.00 0.00 C ATOM 0 H LEU A 33 -5.970 -2.957 2.454 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.696 -3.323 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.978 -1.914 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.818 -0.611 0.893 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.350 -1.356 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.028 -1.153 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.410 0.022 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.452 -1.428 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.193 -3.347 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.693 -3.766 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.419 -3.760 -1.101 1.00 0.00 H new ATOM 469 N LYS A 34 -3.269 -0.843 3.117 1.00 0.00 N ATOM 470 CA LYS A 34 -2.254 -0.057 3.797 1.00 0.00 C ATOM 471 C LYS A 34 -1.298 -0.995 4.535 1.00 0.00 C ATOM 472 O LYS A 34 -0.084 -0.925 4.347 1.00 0.00 O ATOM 473 CB LYS A 34 -2.904 0.993 4.700 1.00 0.00 C ATOM 474 CG LYS A 34 -3.400 2.188 3.882 1.00 0.00 C ATOM 475 CD LYS A 34 -4.929 2.231 3.845 1.00 0.00 C ATOM 476 CE LYS A 34 -5.449 3.613 4.246 1.00 0.00 C ATOM 477 NZ LYS A 34 -5.822 4.394 3.046 1.00 0.00 N ATOM 0 H LYS A 34 -4.228 -0.626 3.387 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.659 0.502 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.738 0.546 5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.185 1.332 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.017 3.113 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.010 2.125 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.279 1.984 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.334 1.476 4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.314 3.507 4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.684 4.146 4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.340 5.315 3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.537 3.874 2.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.851 4.542 3.034 1.00 0.00 H new ATOM 491 N LYS A 35 -1.880 -1.853 5.361 1.00 0.00 N ATOM 492 CA LYS A 35 -1.095 -2.804 6.128 1.00 0.00 C ATOM 493 C LYS A 35 -0.180 -3.584 5.182 1.00 0.00 C ATOM 494 O LYS A 35 1.011 -3.734 5.449 1.00 0.00 O ATOM 495 CB LYS A 35 -2.009 -3.694 6.973 1.00 0.00 C ATOM 496 CG LYS A 35 -2.582 -2.920 8.162 1.00 0.00 C ATOM 497 CD LYS A 35 -3.997 -2.422 7.861 1.00 0.00 C ATOM 498 CE LYS A 35 -4.953 -2.763 9.006 1.00 0.00 C ATOM 499 NZ LYS A 35 -5.187 -4.223 9.069 1.00 0.00 N ATOM 0 H LYS A 35 -2.887 -1.909 5.515 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.451 -2.283 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.823 -4.075 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.450 -4.558 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.598 -3.560 9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.936 -2.073 8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.981 -1.343 7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.356 -2.873 6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.537 -2.414 9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.900 -2.243 8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.063 -4.412 9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.275 -4.602 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.387 -4.682 9.550 1.00 0.00 H new ATOM 513 N ALA A 36 -0.772 -4.061 4.097 1.00 0.00 N ATOM 514 CA ALA A 36 -0.025 -4.822 3.110 1.00 0.00 C ATOM 515 C ALA A 36 1.149 -3.981 2.606 1.00 0.00 C ATOM 516 O ALA A 36 2.307 -4.362 2.774 1.00 0.00 O ATOM 517 CB ALA A 36 -0.962 -5.251 1.980 1.00 0.00 C ATOM 0 H ALA A 36 -1.761 -3.935 3.880 1.00 0.00 H new ATOM 0 HA ALA A 36 0.386 -5.728 3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.402 -5.822 1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.762 -5.870 2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.391 -4.367 1.508 1.00 0.00 H new ATOM 523 N ILE A 37 0.811 -2.853 1.999 1.00 0.00 N ATOM 524 CA ILE A 37 1.823 -1.955 1.470 1.00 0.00 C ATOM 525 C ILE A 37 2.978 -1.851 2.467 1.00 0.00 C ATOM 526 O ILE A 37 4.138 -1.747 2.071 1.00 0.00 O ATOM 527 CB ILE A 37 1.203 -0.605 1.104 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.158 -0.763 -0.002 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.284 0.411 0.730 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.754 0.463 -0.075 1.00 0.00 C ATOM 0 H ILE A 37 -0.150 -2.540 1.862 1.00 0.00 H new ATOM 0 HA ILE A 37 2.237 -2.352 0.543 1.00 0.00 H new ATOM 0 HB ILE A 37 0.686 -0.217 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.657 -0.907 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.440 -1.655 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.817 1.362 0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.957 0.553 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.849 0.042 -0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.487 0.324 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.270 0.590 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.156 1.350 -0.284 1.00 0.00 H new ATOM 542 N GLN A 38 2.621 -1.883 3.743 1.00 0.00 N ATOM 543 CA GLN A 38 3.614 -1.793 4.800 1.00 0.00 C ATOM 544 C GLN A 38 4.307 -3.144 4.993 1.00 0.00 C ATOM 545 O GLN A 38 5.524 -3.203 5.163 1.00 0.00 O ATOM 546 CB GLN A 38 2.982 -1.310 6.106 1.00 0.00 C ATOM 547 CG GLN A 38 3.214 0.189 6.306 1.00 0.00 C ATOM 548 CD GLN A 38 2.734 0.639 7.688 1.00 0.00 C ATOM 549 OE1 GLN A 38 3.511 0.862 8.601 1.00 0.00 O ATOM 550 NE2 GLN A 38 1.413 0.760 7.788 1.00 0.00 N ATOM 0 H GLN A 38 1.658 -1.970 4.068 1.00 0.00 H new ATOM 0 HA GLN A 38 4.365 -1.060 4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.912 -1.518 6.095 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.405 -1.862 6.945 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.275 0.415 6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.686 0.749 5.534 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.820 0.557 6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.993 1.056 8.669 1.00 0.00 H new ATOM 559 N ARG A 39 3.502 -4.196 4.961 1.00 0.00 N ATOM 560 CA ARG A 39 4.023 -5.542 5.130 1.00 0.00 C ATOM 561 C ARG A 39 4.841 -5.953 3.905 1.00 0.00 C ATOM 562 O ARG A 39 5.467 -7.012 3.898 1.00 0.00 O ATOM 563 CB ARG A 39 2.889 -6.548 5.339 1.00 0.00 C ATOM 564 CG ARG A 39 3.278 -7.604 6.376 1.00 0.00 C ATOM 565 CD ARG A 39 2.232 -7.691 7.489 1.00 0.00 C ATOM 566 NE ARG A 39 2.797 -7.174 8.756 1.00 0.00 N ATOM 567 CZ ARG A 39 2.147 -7.185 9.928 1.00 0.00 C ATOM 568 NH1 ARG A 39 0.906 -7.685 10.001 1.00 0.00 N ATOM 569 NH2 ARG A 39 2.738 -6.695 11.026 1.00 0.00 N ATOM 0 H ARG A 39 2.493 -4.144 4.821 1.00 0.00 H new ATOM 0 HA ARG A 39 4.662 -5.542 6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.990 -6.026 5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.649 -7.033 4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.380 -8.575 5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.250 -7.358 6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.348 -7.116 7.214 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.912 -8.725 7.619 1.00 0.00 H new ATOM 0 HE ARG A 39 3.740 -6.785 8.736 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.456 -8.057 9.165 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.411 -7.693 10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.682 -6.314 10.970 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.244 -6.703 11.918 1.00 0.00 H new ATOM 583 N TYR A 40 4.811 -5.093 2.897 1.00 0.00 N ATOM 584 CA TYR A 40 5.542 -5.353 1.669 1.00 0.00 C ATOM 585 C TYR A 40 6.979 -4.836 1.766 1.00 0.00 C ATOM 586 O TYR A 40 7.905 -5.466 1.258 1.00 0.00 O ATOM 587 CB TYR A 40 4.808 -4.581 0.570 1.00 0.00 C ATOM 588 CG TYR A 40 5.550 -4.548 -0.768 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.683 -3.772 -0.910 1.00 0.00 C ATOM 590 CD2 TYR A 40 5.087 -5.294 -1.833 1.00 0.00 C ATOM 591 CE1 TYR A 40 7.381 -3.741 -2.169 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.785 -5.262 -3.092 1.00 0.00 C ATOM 593 CZ TYR A 40 6.897 -4.487 -3.198 1.00 0.00 C ATOM 594 OH TYR A 40 7.557 -4.457 -4.387 1.00 0.00 O ATOM 0 H TYR A 40 4.291 -4.215 2.906 1.00 0.00 H new ATOM 0 HA TYR A 40 5.588 -6.424 1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.826 -5.030 0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.642 -3.558 0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.046 -3.188 -0.077 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.201 -5.902 -1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.269 -3.139 -2.293 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.433 -5.841 -3.933 1.00 0.00 H new ATOM 0 HH TYR A 40 7.443 -5.315 -4.846 1.00 0.00 H new ATOM 604 N VAL A 41 7.120 -3.694 2.423 1.00 0.00 N ATOM 605 CA VAL A 41 8.428 -3.086 2.594 1.00 0.00 C ATOM 606 C VAL A 41 9.024 -3.534 3.930 1.00 0.00 C ATOM 607 O VAL A 41 10.236 -3.715 4.044 1.00 0.00 O ATOM 608 CB VAL A 41 8.318 -1.565 2.469 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.702 -0.924 2.345 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.426 -1.175 1.289 1.00 0.00 C ATOM 0 H VAL A 41 6.350 -3.174 2.843 1.00 0.00 H new ATOM 0 HA VAL A 41 9.108 -3.416 1.808 1.00 0.00 H new ATOM 0 HB VAL A 41 7.853 -1.187 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.596 0.157 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.293 -1.160 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.205 -1.312 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.365 -0.089 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.849 -1.572 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.427 -1.586 1.436 1.00 0.00 H new ATOM 620 N GLN A 42 8.145 -3.702 4.907 1.00 0.00 N ATOM 621 CA GLN A 42 8.569 -4.125 6.231 1.00 0.00 C ATOM 622 C GLN A 42 9.095 -5.561 6.185 1.00 0.00 C ATOM 623 O GLN A 42 10.282 -5.799 6.404 1.00 0.00 O ATOM 624 CB GLN A 42 7.428 -3.991 7.241 1.00 0.00 C ATOM 625 CG GLN A 42 7.971 -3.776 8.655 1.00 0.00 C ATOM 626 CD GLN A 42 6.831 -3.588 9.658 1.00 0.00 C ATOM 627 OE1 GLN A 42 6.071 -4.497 9.950 1.00 0.00 O ATOM 628 NE2 GLN A 42 6.754 -2.361 10.166 1.00 0.00 N ATOM 0 H GLN A 42 7.141 -3.553 4.808 1.00 0.00 H new ATOM 0 HA GLN A 42 9.378 -3.472 6.559 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.787 -3.154 6.962 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.809 -4.888 7.218 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.581 -4.631 8.948 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.621 -2.901 8.670 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.423 -1.647 9.878 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.026 -2.134 10.844 1.00 0.00 H new ATOM 637 N LEU A 43 8.186 -6.482 5.899 1.00 0.00 N ATOM 638 CA LEU A 43 8.543 -7.888 5.822 1.00 0.00 C ATOM 639 C LEU A 43 9.773 -8.049 4.925 1.00 0.00 C ATOM 640 O LEU A 43 10.689 -8.801 5.251 1.00 0.00 O ATOM 641 CB LEU A 43 7.342 -8.722 5.373 1.00 0.00 C ATOM 642 CG LEU A 43 7.323 -9.133 3.900 1.00 0.00 C ATOM 643 CD1 LEU A 43 8.391 -10.189 3.610 1.00 0.00 C ATOM 644 CD2 LEU A 43 5.927 -9.599 3.478 1.00 0.00 C ATOM 0 H LEU A 43 7.202 -6.281 5.718 1.00 0.00 H new ATOM 0 HA LEU A 43 8.814 -8.267 6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.304 -9.625 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.434 -8.157 5.584 1.00 0.00 H new ATOM 0 HG LEU A 43 7.566 -8.257 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.355 -10.463 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.375 -9.785 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.205 -11.072 4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.941 -9.885 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.631 -10.456 4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.213 -8.788 3.623 1.00 0.00 H new ATOM 656 N LYS A 44 9.752 -7.330 3.812 1.00 0.00 N ATOM 657 CA LYS A 44 10.854 -7.383 2.866 1.00 0.00 C ATOM 658 C LYS A 44 12.159 -7.049 3.591 1.00 0.00 C ATOM 659 O LYS A 44 13.091 -7.852 3.601 1.00 0.00 O ATOM 660 CB LYS A 44 10.570 -6.483 1.662 1.00 0.00 C ATOM 661 CG LYS A 44 11.744 -6.493 0.681 1.00 0.00 C ATOM 662 CD LYS A 44 11.255 -6.350 -0.761 1.00 0.00 C ATOM 663 CE LYS A 44 10.588 -7.640 -1.244 1.00 0.00 C ATOM 664 NZ LYS A 44 10.138 -7.497 -2.646 1.00 0.00 N ATOM 0 H LYS A 44 8.989 -6.708 3.544 1.00 0.00 H new ATOM 0 HA LYS A 44 10.962 -8.390 2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.666 -6.821 1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.383 -5.464 2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.428 -5.679 0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.304 -7.422 0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.548 -5.523 -0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.095 -6.105 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.289 -8.471 -1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.737 -7.878 -0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.688 -8.381 -2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.453 -6.717 -2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.956 -7.292 -3.254 1.00 0.00 H new ATOM 678 N GLN A 45 12.185 -5.862 4.179 1.00 0.00 N ATOM 679 CA GLN A 45 13.361 -5.411 4.904 1.00 0.00 C ATOM 680 C GLN A 45 13.781 -6.459 5.937 1.00 0.00 C ATOM 681 O GLN A 45 14.947 -6.844 5.996 1.00 0.00 O ATOM 682 CB GLN A 45 13.110 -4.056 5.567 1.00 0.00 C ATOM 683 CG GLN A 45 13.129 -2.928 4.534 1.00 0.00 C ATOM 684 CD GLN A 45 12.696 -1.601 5.163 1.00 0.00 C ATOM 685 OE1 GLN A 45 12.669 -1.437 6.371 1.00 0.00 O ATOM 686 NE2 GLN A 45 12.359 -0.668 4.277 1.00 0.00 N ATOM 0 H GLN A 45 11.410 -5.199 4.168 1.00 0.00 H new ATOM 0 HA GLN A 45 14.177 -5.284 4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.147 -4.070 6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.871 -3.872 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.132 -2.828 4.118 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.464 -3.176 3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.405 -0.872 3.279 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.055 0.252 4.596 1.00 0.00 H new ATOM 695 N GLU A 46 12.807 -6.889 6.726 1.00 0.00 N ATOM 696 CA GLU A 46 13.061 -7.884 7.754 1.00 0.00 C ATOM 697 C GLU A 46 13.813 -9.078 7.162 1.00 0.00 C ATOM 698 O GLU A 46 14.832 -9.504 7.704 1.00 0.00 O ATOM 699 CB GLU A 46 11.758 -8.332 8.418 1.00 0.00 C ATOM 700 CG GLU A 46 11.823 -8.146 9.935 1.00 0.00 C ATOM 701 CD GLU A 46 11.153 -9.315 10.660 1.00 0.00 C ATOM 702 OE1 GLU A 46 9.996 -9.618 10.299 1.00 0.00 O ATOM 703 OE2 GLU A 46 11.814 -9.879 11.559 1.00 0.00 O ATOM 0 H GLU A 46 11.841 -6.566 6.674 1.00 0.00 H new ATOM 0 HA GLU A 46 13.685 -7.431 8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.924 -7.759 8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.568 -9.380 8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.863 -8.066 10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.333 -7.213 10.212 1.00 0.00 H new ATOM 832 N SER A 55 8.161 6.857 7.981 1.00 0.00 N ATOM 833 CA SER A 55 7.078 7.336 8.822 1.00 0.00 C ATOM 834 C SER A 55 5.732 7.070 8.145 1.00 0.00 C ATOM 835 O SER A 55 5.137 7.975 7.561 1.00 0.00 O ATOM 836 CB SER A 55 7.234 8.828 9.124 1.00 0.00 C ATOM 837 OG SER A 55 7.502 9.069 10.502 1.00 0.00 O ATOM 0 HA SER A 55 7.115 6.795 9.768 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.044 9.237 8.520 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.324 9.353 8.834 1.00 0.00 H new ATOM 0 HG SER A 55 7.597 10.033 10.653 1.00 0.00 H new ATOM 843 N TRP A 56 5.291 5.824 8.245 1.00 0.00 N ATOM 844 CA TRP A 56 4.027 5.428 7.650 1.00 0.00 C ATOM 845 C TRP A 56 2.915 6.239 8.317 1.00 0.00 C ATOM 846 O TRP A 56 1.875 6.491 7.709 1.00 0.00 O ATOM 847 CB TRP A 56 3.816 3.917 7.766 1.00 0.00 C ATOM 848 CG TRP A 56 4.822 3.085 6.967 1.00 0.00 C ATOM 849 CD1 TRP A 56 5.776 2.271 7.437 1.00 0.00 C ATOM 850 CD2 TRP A 56 4.933 3.019 5.530 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.493 1.687 6.411 1.00 0.00 N ATOM 852 CE2 TRP A 56 5.963 2.157 5.215 1.00 0.00 C ATOM 853 CE3 TRP A 56 4.188 3.667 4.529 1.00 0.00 C ATOM 854 CZ2 TRP A 56 6.343 1.863 3.900 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.580 3.363 3.219 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.614 2.497 2.886 1.00 0.00 C ATOM 0 H TRP A 56 5.787 5.076 8.729 1.00 0.00 H new ATOM 0 HA TRP A 56 4.021 5.642 6.581 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.877 3.632 8.816 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.809 3.674 7.427 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.961 2.094 8.486 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.268 1.032 6.512 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.378 4.345 4.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.154 1.185 3.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.041 3.835 2.411 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.855 2.313 1.849 1.00 0.00 H new ATOM 867 N SER A 57 3.171 6.627 9.558 1.00 0.00 N ATOM 868 CA SER A 57 2.205 7.405 10.314 1.00 0.00 C ATOM 869 C SER A 57 1.777 8.634 9.509 1.00 0.00 C ATOM 870 O SER A 57 0.600 8.794 9.193 1.00 0.00 O ATOM 871 CB SER A 57 2.778 7.830 11.667 1.00 0.00 C ATOM 872 OG SER A 57 2.650 6.803 12.647 1.00 0.00 O ATOM 0 H SER A 57 4.034 6.417 10.059 1.00 0.00 H new ATOM 0 HA SER A 57 1.332 6.779 10.500 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.830 8.090 11.550 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.264 8.727 12.013 1.00 0.00 H new ATOM 0 HG SER A 57 3.029 7.112 13.496 1.00 0.00 H new ATOM 878 N TYR A 58 2.758 9.470 9.200 1.00 0.00 N ATOM 879 CA TYR A 58 2.498 10.679 8.438 1.00 0.00 C ATOM 880 C TYR A 58 2.046 10.344 7.015 1.00 0.00 C ATOM 881 O TYR A 58 1.064 10.899 6.525 1.00 0.00 O ATOM 882 CB TYR A 58 3.829 11.431 8.374 1.00 0.00 C ATOM 883 CG TYR A 58 3.743 12.789 7.674 1.00 0.00 C ATOM 884 CD1 TYR A 58 3.382 13.912 8.390 1.00 0.00 C ATOM 885 CD2 TYR A 58 4.027 12.891 6.328 1.00 0.00 C ATOM 886 CE1 TYR A 58 3.301 15.191 7.731 1.00 0.00 C ATOM 887 CE2 TYR A 58 3.946 14.169 5.669 1.00 0.00 C ATOM 888 CZ TYR A 58 3.587 15.256 6.403 1.00 0.00 C ATOM 889 OH TYR A 58 3.511 16.463 5.781 1.00 0.00 O ATOM 0 H TYR A 58 3.734 9.333 9.464 1.00 0.00 H new ATOM 0 HA TYR A 58 1.708 11.266 8.907 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.200 11.579 9.388 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.560 10.812 7.855 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.160 13.832 9.444 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.310 12.012 5.768 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.020 16.078 8.279 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.165 14.262 4.616 1.00 0.00 H new ATOM 0 HH TYR A 58 3.743 16.358 4.835 1.00 0.00 H new ATOM 899 N VAL A 59 2.785 9.438 6.392 1.00 0.00 N ATOM 900 CA VAL A 59 2.473 9.022 5.035 1.00 0.00 C ATOM 901 C VAL A 59 0.975 8.728 4.929 1.00 0.00 C ATOM 902 O VAL A 59 0.273 9.344 4.129 1.00 0.00 O ATOM 903 CB VAL A 59 3.346 7.830 4.639 1.00 0.00 C ATOM 904 CG1 VAL A 59 2.883 7.229 3.310 1.00 0.00 C ATOM 905 CG2 VAL A 59 4.822 8.229 4.575 1.00 0.00 C ATOM 0 H VAL A 59 3.599 8.980 6.802 1.00 0.00 H new ATOM 0 HA VAL A 59 2.699 9.821 4.329 1.00 0.00 H new ATOM 0 HB VAL A 59 3.238 7.065 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.520 6.383 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.851 6.890 3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.947 7.985 2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.421 7.364 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.954 9.019 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.144 8.589 5.552 1.00 0.00 H new ATOM 915 N TRP A 60 0.530 7.785 5.747 1.00 0.00 N ATOM 916 CA TRP A 60 -0.871 7.401 5.754 1.00 0.00 C ATOM 917 C TRP A 60 -1.694 8.623 6.170 1.00 0.00 C ATOM 918 O TRP A 60 -2.787 8.845 5.652 1.00 0.00 O ATOM 919 CB TRP A 60 -1.103 6.189 6.658 1.00 0.00 C ATOM 920 CG TRP A 60 -0.375 4.923 6.201 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.505 4.183 6.889 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.500 4.276 4.917 1.00 0.00 C ATOM 923 NE1 TRP A 60 0.954 3.110 6.146 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.323 3.168 4.909 1.00 0.00 C ATOM 925 CE3 TRP A 60 -1.284 4.614 3.800 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.443 2.310 3.810 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -1.153 3.747 2.709 1.00 0.00 C ATOM 928 CH2 TRP A 60 -0.329 2.628 2.685 1.00 0.00 C ATOM 0 H TRP A 60 1.115 7.276 6.409 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.190 7.088 4.760 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.780 6.436 7.669 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.172 5.984 6.706 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.823 4.399 7.898 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.625 2.404 6.449 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.936 5.475 3.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.095 1.449 3.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.733 3.963 1.824 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.284 2.006 1.803 1.00 0.00 H new ATOM 939 N ARG A 61 -1.137 9.382 7.102 1.00 0.00 N ATOM 940 CA ARG A 61 -1.805 10.575 7.593 1.00 0.00 C ATOM 941 C ARG A 61 -1.413 11.789 6.748 1.00 0.00 C ATOM 942 O ARG A 61 -1.205 12.879 7.279 1.00 0.00 O ATOM 943 CB ARG A 61 -1.447 10.844 9.056 1.00 0.00 C ATOM 944 CG ARG A 61 -2.534 11.672 9.743 1.00 0.00 C ATOM 945 CD ARG A 61 -1.935 12.902 10.430 1.00 0.00 C ATOM 946 NE ARG A 61 -2.443 14.136 9.791 1.00 0.00 N ATOM 947 CZ ARG A 61 -3.600 14.728 10.114 1.00 0.00 C ATOM 948 NH1 ARG A 61 -4.378 14.202 11.070 1.00 0.00 N ATOM 949 NH2 ARG A 61 -3.981 15.846 9.480 1.00 0.00 N ATOM 0 H ARG A 61 -0.231 9.194 7.530 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.879 10.408 7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.318 9.898 9.582 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.495 11.371 9.110 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.275 11.986 9.008 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.054 11.058 10.478 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.192 12.899 11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.847 12.871 10.366 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.876 14.563 9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.089 13.351 11.552 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.259 14.653 11.316 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.390 16.246 8.751 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.862 16.297 9.726 1.00 0.00 H new ATOM 963 N THR A 62 -1.325 11.560 5.446 1.00 0.00 N ATOM 964 CA THR A 62 -0.962 12.621 4.522 1.00 0.00 C ATOM 965 C THR A 62 -1.501 12.317 3.123 1.00 0.00 C ATOM 966 O THR A 62 -2.070 13.191 2.470 1.00 0.00 O ATOM 967 CB THR A 62 0.558 12.786 4.565 1.00 0.00 C ATOM 968 OG1 THR A 62 0.816 13.293 5.871 1.00 0.00 O ATOM 969 CG2 THR A 62 1.054 13.892 3.631 1.00 0.00 C ATOM 0 H THR A 62 -1.499 10.655 5.009 1.00 0.00 H new ATOM 0 HA THR A 62 -1.414 13.570 4.811 1.00 0.00 H new ATOM 0 HB THR A 62 1.033 11.843 4.295 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.135 12.567 6.447 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.139 13.967 3.700 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.771 13.656 2.605 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.605 14.842 3.921 1.00 0.00 H new ATOM 977 N TYR A 63 -1.304 11.076 2.704 1.00 0.00 N ATOM 978 CA TYR A 63 -1.763 10.646 1.394 1.00 0.00 C ATOM 979 C TYR A 63 -2.782 9.511 1.516 1.00 0.00 C ATOM 980 O TYR A 63 -2.845 8.836 2.542 1.00 0.00 O ATOM 981 CB TYR A 63 -0.524 10.127 0.662 1.00 0.00 C ATOM 982 CG TYR A 63 0.544 11.193 0.414 1.00 0.00 C ATOM 983 CD1 TYR A 63 0.472 11.995 -0.706 1.00 0.00 C ATOM 984 CD2 TYR A 63 1.581 11.353 1.311 1.00 0.00 C ATOM 985 CE1 TYR A 63 1.477 12.999 -0.940 1.00 0.00 C ATOM 986 CE2 TYR A 63 2.587 12.357 1.078 1.00 0.00 C ATOM 987 CZ TYR A 63 2.485 13.130 -0.036 1.00 0.00 C ATOM 988 OH TYR A 63 3.435 14.078 -0.257 1.00 0.00 O ATOM 0 H TYR A 63 -0.832 10.354 3.249 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.245 11.469 0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.085 9.316 1.243 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.830 9.705 -0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.339 11.870 -1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.638 10.725 2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.432 13.633 -1.813 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.403 12.493 1.772 1.00 0.00 H new ATOM 0 HH TYR A 63 4.092 14.059 0.470 1.00 0.00 H new ATOM 998 N HIS A 64 -3.555 9.336 0.454 1.00 0.00 N ATOM 999 CA HIS A 64 -4.568 8.295 0.428 1.00 0.00 C ATOM 1000 C HIS A 64 -4.344 7.390 -0.785 1.00 0.00 C ATOM 1001 O HIS A 64 -3.402 7.594 -1.550 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.972 8.901 0.465 1.00 0.00 C ATOM 1003 CG HIS A 64 -6.353 9.487 1.804 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.794 8.713 2.863 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -6.354 10.778 2.244 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -7.047 9.512 3.889 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -6.774 10.792 3.503 1.00 0.00 N ATOM 0 H HIS A 64 -3.500 9.898 -0.395 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.480 7.675 1.320 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.040 9.680 -0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.696 8.131 0.197 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.062 11.642 1.666 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.406 9.204 4.860 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.876 11.623 4.086 1.00 0.00 H new ATOM 1015 N LEU A 65 -5.226 6.411 -0.924 1.00 0.00 N ATOM 1016 CA LEU A 65 -5.136 5.475 -2.032 1.00 0.00 C ATOM 1017 C LEU A 65 -6.262 5.761 -3.027 1.00 0.00 C ATOM 1018 O LEU A 65 -7.437 5.743 -2.663 1.00 0.00 O ATOM 1019 CB LEU A 65 -5.122 4.035 -1.516 1.00 0.00 C ATOM 1020 CG LEU A 65 -4.082 3.718 -0.439 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -4.207 2.268 0.034 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.669 4.041 -0.929 1.00 0.00 C ATOM 0 H LEU A 65 -6.006 6.246 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.196 5.606 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.110 3.803 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.954 3.369 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.278 4.356 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.457 2.069 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.201 2.105 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.052 1.595 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.949 3.807 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.446 3.447 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.603 5.100 -1.177 1.00 0.00 H new ATOM 1034 N THR A 66 -5.864 6.017 -4.265 1.00 0.00 N ATOM 1035 CA THR A 66 -6.825 6.306 -5.315 1.00 0.00 C ATOM 1036 C THR A 66 -6.709 5.278 -6.442 1.00 0.00 C ATOM 1037 O THR A 66 -5.693 4.595 -6.562 1.00 0.00 O ATOM 1038 CB THR A 66 -6.598 7.746 -5.781 1.00 0.00 C ATOM 1039 OG1 THR A 66 -7.128 7.771 -7.104 1.00 0.00 O ATOM 1040 CG2 THR A 66 -5.115 8.073 -5.969 1.00 0.00 C ATOM 0 H THR A 66 -4.889 6.030 -4.564 1.00 0.00 H new ATOM 0 HA THR A 66 -7.848 6.225 -4.947 1.00 0.00 H new ATOM 0 HB THR A 66 -7.034 8.434 -5.057 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.024 8.669 -7.481 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.009 9.106 -6.300 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.590 7.940 -5.023 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.688 7.406 -6.718 1.00 0.00 H new ATOM 1048 N SER A 67 -7.765 5.199 -7.239 1.00 0.00 N ATOM 1049 CA SER A 67 -7.794 4.265 -8.352 1.00 0.00 C ATOM 1050 C SER A 67 -8.290 4.972 -9.615 1.00 0.00 C ATOM 1051 O SER A 67 -7.559 5.075 -10.600 1.00 0.00 O ATOM 1052 CB SER A 67 -8.681 3.059 -8.035 1.00 0.00 C ATOM 1053 OG SER A 67 -9.110 2.388 -9.217 1.00 0.00 O ATOM 0 H SER A 67 -8.606 5.766 -7.136 1.00 0.00 H new ATOM 0 HA SER A 67 -6.780 3.902 -8.521 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.133 2.362 -7.401 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.552 3.388 -7.468 1.00 0.00 H new ATOM 0 HG SER A 67 -9.672 1.623 -8.973 1.00 0.00 H new ATOM 1059 N ALA A 68 -9.527 5.440 -9.546 1.00 0.00 N ATOM 1060 CA ALA A 68 -10.129 6.134 -10.672 1.00 0.00 C ATOM 1061 C ALA A 68 -11.326 6.950 -10.182 1.00 0.00 C ATOM 1062 O ALA A 68 -12.472 6.621 -10.484 1.00 0.00 O ATOM 1063 CB ALA A 68 -10.517 5.119 -11.749 1.00 0.00 C ATOM 0 H ALA A 68 -10.129 5.352 -8.728 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.418 6.828 -11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.969 5.639 -12.594 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.627 4.586 -12.085 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.232 4.407 -11.337 1.00 0.00 H new ATOM 1069 N GLY A 69 -11.019 8.000 -9.434 1.00 0.00 N ATOM 1070 CA GLY A 69 -12.056 8.866 -8.899 1.00 0.00 C ATOM 1071 C GLY A 69 -12.537 8.367 -7.535 1.00 0.00 C ATOM 1072 O GLY A 69 -12.957 9.160 -6.693 1.00 0.00 O ATOM 0 H GLY A 69 -10.067 8.270 -9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.673 9.882 -8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.896 8.905 -9.593 1.00 0.00 H new ATOM 1076 N GLU A 70 -12.461 7.056 -7.359 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.884 6.442 -6.112 1.00 0.00 C ATOM 1078 C GLU A 70 -11.799 6.605 -5.046 1.00 0.00 C ATOM 1079 O GLU A 70 -10.757 5.955 -5.111 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.233 4.967 -6.318 1.00 0.00 C ATOM 1081 CG GLU A 70 -14.570 4.816 -7.048 1.00 0.00 C ATOM 1082 CD GLU A 70 -14.430 3.897 -8.263 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -13.656 2.922 -8.151 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -15.100 4.191 -9.277 1.00 0.00 O ATOM 0 H GLU A 70 -12.113 6.402 -8.060 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.785 6.949 -5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.444 4.480 -6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.283 4.463 -5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.317 4.411 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.927 5.795 -7.367 1.00 0.00 H new ATOM 1091 N LYS A 71 -12.082 7.477 -4.089 1.00 0.00 N ATOM 1092 CA LYS A 71 -11.143 7.734 -3.010 1.00 0.00 C ATOM 1093 C LYS A 71 -11.233 6.605 -1.982 1.00 0.00 C ATOM 1094 O LYS A 71 -12.257 6.444 -1.319 1.00 0.00 O ATOM 1095 CB LYS A 71 -11.375 9.125 -2.417 1.00 0.00 C ATOM 1096 CG LYS A 71 -11.335 10.199 -3.506 1.00 0.00 C ATOM 1097 CD LYS A 71 -10.836 11.532 -2.944 1.00 0.00 C ATOM 1098 CE LYS A 71 -9.885 12.219 -3.926 1.00 0.00 C ATOM 1099 NZ LYS A 71 -9.428 13.517 -3.382 1.00 0.00 N ATOM 0 H LYS A 71 -12.948 8.014 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.121 7.741 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.340 9.152 -1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.614 9.335 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.683 9.875 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.331 10.329 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.685 12.184 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.326 11.363 -1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.026 11.576 -4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.388 12.375 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.783 13.970 -4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.249 14.134 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.930 13.360 -2.483 1.00 0.00 H new ATOM 1113 N LEU A 72 -10.148 5.851 -1.881 1.00 0.00 N ATOM 1114 CA LEU A 72 -10.092 4.742 -0.944 1.00 0.00 C ATOM 1115 C LEU A 72 -9.783 5.276 0.456 1.00 0.00 C ATOM 1116 O LEU A 72 -8.629 5.286 0.880 1.00 0.00 O ATOM 1117 CB LEU A 72 -9.101 3.681 -1.430 1.00 0.00 C ATOM 1118 CG LEU A 72 -9.102 3.401 -2.934 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -7.934 2.493 -3.323 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.448 2.828 -3.384 1.00 0.00 C ATOM 0 H LEU A 72 -9.301 5.986 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.059 4.242 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.097 3.990 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.312 2.748 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.963 4.347 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.958 2.310 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.994 2.976 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.017 1.545 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.422 2.638 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.641 1.895 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.240 3.543 -3.161 1.00 0.00 H new ATOM 1132 N THR A 73 -10.835 5.709 1.134 1.00 0.00 N ATOM 1133 CA THR A 73 -10.691 6.244 2.477 1.00 0.00 C ATOM 1134 C THR A 73 -11.291 5.280 3.503 1.00 0.00 C ATOM 1135 O THR A 73 -10.616 4.873 4.447 1.00 0.00 O ATOM 1136 CB THR A 73 -11.331 7.634 2.504 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.708 7.387 2.235 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.874 8.511 1.336 1.00 0.00 C ATOM 0 H THR A 73 -11.791 5.700 0.779 1.00 0.00 H new ATOM 0 HA THR A 73 -9.641 6.348 2.750 1.00 0.00 H new ATOM 0 HB THR A 73 -11.089 8.128 3.445 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.199 8.235 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.357 9.486 1.402 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.792 8.639 1.378 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.147 8.034 0.395 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.553 4.941 3.282 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.251 4.032 4.175 1.00 0.00 C ATOM 1148 C GLU A 74 -12.477 2.719 4.307 1.00 0.00 C ATOM 1149 O GLU A 74 -12.134 2.093 3.305 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.681 3.780 3.692 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.692 4.544 4.548 1.00 0.00 C ATOM 1152 CD GLU A 74 -16.298 5.713 3.769 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -17.053 5.427 2.814 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -15.993 6.865 4.144 1.00 0.00 O ATOM 0 H GLU A 74 -13.110 5.280 2.497 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.312 4.496 5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.776 4.087 2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.899 2.713 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.484 3.868 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.203 4.917 5.448 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.224 2.341 5.551 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.497 1.114 5.828 1.00 0.00 C ATOM 1163 C ASP A 75 -12.494 -0.020 6.077 1.00 0.00 C ATOM 1164 O ASP A 75 -12.189 -1.185 5.830 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.624 1.260 7.076 1.00 0.00 C ATOM 1166 CG ASP A 75 -9.818 2.558 7.154 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -9.447 3.061 6.071 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -9.592 3.018 8.294 1.00 0.00 O ATOM 0 H ASP A 75 -12.510 2.863 6.379 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.863 0.897 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.262 1.193 7.957 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.933 0.418 7.118 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.665 0.362 6.565 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.708 -0.607 6.851 1.00 0.00 C ATOM 1175 C ARG A 76 -15.403 -1.037 5.558 1.00 0.00 C ATOM 1176 O ARG A 76 -16.287 -1.892 5.578 1.00 0.00 O ATOM 1177 CB ARG A 76 -15.749 -0.029 7.813 1.00 0.00 C ATOM 1178 CG ARG A 76 -15.358 -0.294 9.268 1.00 0.00 C ATOM 1179 CD ARG A 76 -16.482 -1.014 10.015 1.00 0.00 C ATOM 1180 NE ARG A 76 -15.955 -1.627 11.255 1.00 0.00 N ATOM 1181 CZ ARG A 76 -16.567 -2.612 11.926 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -17.732 -3.102 11.481 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -16.015 -3.107 13.042 1.00 0.00 N ATOM 0 H ARG A 76 -13.914 1.330 6.769 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.237 -1.471 7.319 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.845 1.044 7.648 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.724 -0.472 7.608 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.450 -0.897 9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -15.132 0.649 9.765 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.278 -0.310 10.258 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.920 -1.782 9.377 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.070 -1.277 11.622 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.153 -2.725 10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.198 -3.852 11.992 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.128 -2.734 13.381 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.481 -3.857 13.552 1.00 0.00 H new ATOM 1197 N LYS A 77 -14.976 -0.425 4.463 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.546 -0.733 3.162 1.00 0.00 C ATOM 1199 C LYS A 77 -14.548 -1.570 2.359 1.00 0.00 C ATOM 1200 O LYS A 77 -13.422 -1.139 2.120 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.985 0.549 2.452 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.466 0.250 1.030 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.337 1.389 0.496 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.464 0.848 -0.386 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.577 1.821 -0.459 1.00 0.00 N ATOM 0 H LYS A 77 -14.242 0.283 4.450 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.449 -1.333 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.785 1.027 3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.154 1.253 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.607 0.106 0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -17.033 -0.681 1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.760 1.950 1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.723 2.084 -0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.084 0.645 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.826 -0.098 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.334 1.438 -1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.949 1.995 0.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.231 2.715 -0.863 1.00 0.00 H new ATOM 1219 N LYS A 78 -14.999 -2.753 1.965 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.160 -3.654 1.194 1.00 0.00 C ATOM 1221 C LYS A 78 -13.826 -3.007 -0.152 1.00 0.00 C ATOM 1222 O LYS A 78 -14.629 -2.251 -0.697 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.822 -5.027 1.069 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.086 -5.637 2.448 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.460 -6.306 2.498 1.00 0.00 C ATOM 1226 CE LYS A 78 -16.422 -7.574 3.354 1.00 0.00 C ATOM 1227 NZ LYS A 78 -16.947 -7.299 4.710 1.00 0.00 N ATOM 0 H LYS A 78 -15.934 -3.107 2.166 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.214 -3.827 1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.761 -4.934 0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.181 -5.692 0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.313 -6.369 2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.028 -4.860 3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.193 -5.610 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.784 -6.555 1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.014 -8.358 2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.399 -7.944 3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.914 -8.170 5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.366 -6.566 5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.930 -6.967 4.641 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.641 -3.328 -0.648 1.00 0.00 N ATOM 1242 CA LEU A 79 -12.191 -2.787 -1.920 1.00 0.00 C ATOM 1243 C LEU A 79 -13.131 -3.260 -3.031 1.00 0.00 C ATOM 1244 O LEU A 79 -13.458 -2.497 -3.939 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.723 -3.142 -2.164 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.757 -2.825 -1.020 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.312 -3.123 -1.424 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.932 -1.384 -0.538 1.00 0.00 C ATOM 0 H LEU A 79 -11.978 -3.956 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.234 -1.698 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.659 -4.208 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.385 -2.613 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.997 -3.477 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.646 -2.889 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.216 -4.178 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.043 -2.514 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.234 -1.185 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.735 -0.698 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.953 -1.240 -0.183 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.538 -4.516 -2.923 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.434 -5.100 -3.907 1.00 0.00 C ATOM 1262 C ARG A 80 -15.691 -4.241 -4.056 1.00 0.00 C ATOM 1263 O ARG A 80 -16.377 -4.309 -5.075 1.00 0.00 O ATOM 1264 CB ARG A 80 -14.839 -6.520 -3.509 1.00 0.00 C ATOM 1265 CG ARG A 80 -15.056 -6.626 -1.998 1.00 0.00 C ATOM 1266 CD ARG A 80 -16.118 -7.676 -1.668 1.00 0.00 C ATOM 1267 NE ARG A 80 -17.295 -7.029 -1.047 1.00 0.00 N ATOM 1268 CZ ARG A 80 -18.339 -7.697 -0.538 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -18.358 -9.036 -0.573 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -19.363 -7.026 0.006 1.00 0.00 N ATOM 0 H ARG A 80 -13.264 -5.146 -2.169 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.902 -5.139 -4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -15.753 -6.801 -4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -14.066 -7.223 -3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.117 -6.888 -1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.362 -5.658 -1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.418 -8.200 -2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.704 -8.423 -0.991 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.313 -6.010 -1.004 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -17.578 -9.546 -0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.152 -9.545 -0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -19.348 -6.006 0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -20.158 -7.535 0.393 1.00 0.00 H new ATOM 1284 N ASP A 81 -15.956 -3.452 -3.024 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.119 -2.581 -3.028 1.00 0.00 C ATOM 1286 C ASP A 81 -16.778 -1.286 -3.768 1.00 0.00 C ATOM 1287 O ASP A 81 -17.655 -0.653 -4.354 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.537 -2.215 -1.602 1.00 0.00 C ATOM 1289 CG ASP A 81 -19.024 -2.402 -1.297 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -19.784 -2.595 -2.270 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -19.368 -2.347 -0.096 1.00 0.00 O ATOM 0 H ASP A 81 -15.385 -3.398 -2.180 1.00 0.00 H new ATOM 0 HA ASP A 81 -17.936 -3.110 -3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.959 -2.820 -0.903 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.272 -1.174 -1.417 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.503 -0.931 -3.717 1.00 0.00 N ATOM 1297 CA TYR A 82 -15.036 0.277 -4.376 1.00 0.00 C ATOM 1298 C TYR A 82 -14.895 0.060 -5.884 1.00 0.00 C ATOM 1299 O TYR A 82 -14.743 1.018 -6.641 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.656 0.574 -3.784 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.686 1.507 -2.573 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -13.675 2.876 -2.755 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.725 0.982 -1.297 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -13.703 3.755 -1.615 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.754 1.861 -0.157 1.00 0.00 C ATOM 1306 CZ TYR A 82 -13.741 3.204 -0.372 1.00 0.00 C ATOM 1307 OH TYR A 82 -13.768 4.034 0.705 1.00 0.00 O ATOM 0 H TYR A 82 -14.779 -1.458 -3.230 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.741 1.094 -4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.187 -0.366 -3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.029 1.018 -4.557 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.645 3.287 -3.753 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.734 -0.088 -1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.694 4.827 -1.744 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.785 1.463 0.846 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.547 4.626 0.643 1.00 0.00 H new ATOM 1317 N GLY A 83 -14.950 -1.204 -6.275 1.00 0.00 N ATOM 1318 CA GLY A 83 -14.830 -1.559 -7.679 1.00 0.00 C ATOM 1319 C GLY A 83 -13.424 -2.070 -7.997 1.00 0.00 C ATOM 1320 O GLY A 83 -13.075 -2.252 -9.163 1.00 0.00 O ATOM 0 H GLY A 83 -15.076 -1.996 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.564 -2.325 -7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.054 -0.690 -8.298 1.00 0.00 H new ATOM 1324 N ILE A 84 -12.654 -2.287 -6.941 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.294 -2.773 -7.093 1.00 0.00 C ATOM 1326 C ILE A 84 -11.290 -4.301 -7.007 1.00 0.00 C ATOM 1327 O ILE A 84 -11.783 -4.873 -6.036 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.367 -2.098 -6.080 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.506 -0.576 -6.140 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -8.918 -2.550 -6.276 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -9.778 0.088 -4.969 1.00 0.00 C ATOM 0 H ILE A 84 -12.947 -2.135 -5.976 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.903 -2.507 -8.075 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.668 -2.410 -5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.100 -0.207 -7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.561 -0.303 -6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.280 -2.055 -5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.853 -3.630 -6.144 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.588 -2.287 -7.281 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.893 1.170 -5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.203 -0.265 -4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.719 -0.168 -5.007 1.00 0.00 H new ATOM 1343 N ARG A 85 -10.728 -4.919 -8.036 1.00 0.00 N ATOM 1344 CA ARG A 85 -10.653 -6.369 -8.088 1.00 0.00 C ATOM 1345 C ARG A 85 -9.199 -6.820 -8.235 1.00 0.00 C ATOM 1346 O ARG A 85 -8.284 -5.999 -8.204 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.472 -6.920 -9.257 1.00 0.00 C ATOM 1348 CG ARG A 85 -12.961 -6.620 -9.074 1.00 0.00 C ATOM 1349 CD ARG A 85 -13.540 -7.414 -7.901 1.00 0.00 C ATOM 1350 NE ARG A 85 -14.469 -8.451 -8.402 1.00 0.00 N ATOM 1351 CZ ARG A 85 -15.140 -9.302 -7.614 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -14.990 -9.245 -6.284 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -15.962 -10.211 -8.156 1.00 0.00 N ATOM 0 H ARG A 85 -10.320 -4.442 -8.840 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.064 -6.757 -7.156 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.121 -6.480 -10.191 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.321 -7.997 -9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.102 -5.553 -8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.501 -6.869 -9.988 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -12.734 -7.879 -7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.064 -6.743 -7.220 1.00 0.00 H new ATOM 0 HE ARG A 85 -14.607 -8.522 -9.410 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.365 -8.553 -5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.501 -9.893 -5.685 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -16.077 -10.255 -9.169 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.473 -10.859 -7.556 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.031 -8.125 -8.393 1.00 0.00 N ATOM 1368 CA ASN A 86 -7.703 -8.696 -8.545 1.00 0.00 C ATOM 1369 C ASN A 86 -7.063 -8.154 -9.824 1.00 0.00 C ATOM 1370 O ASN A 86 -7.737 -7.998 -10.841 1.00 0.00 O ATOM 1371 CB ASN A 86 -7.769 -10.220 -8.658 1.00 0.00 C ATOM 1372 CG ASN A 86 -6.430 -10.794 -9.125 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -5.908 -10.447 -10.173 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -5.904 -11.688 -8.294 1.00 0.00 N ATOM 0 H ASN A 86 -9.792 -8.803 -8.419 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.116 -8.425 -7.667 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.035 -10.649 -7.692 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -8.554 -10.503 -9.359 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.012 -12.129 -8.517 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.393 -11.934 -7.433 1.00 0.00 H new ATOM 1381 N ARG A 87 -5.770 -7.882 -9.732 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.031 -7.361 -10.869 1.00 0.00 C ATOM 1383 C ARG A 87 -5.569 -5.985 -11.266 1.00 0.00 C ATOM 1384 O ARG A 87 -5.990 -5.783 -12.404 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.130 -8.305 -12.069 1.00 0.00 C ATOM 1386 CG ARG A 87 -3.948 -9.276 -12.102 1.00 0.00 C ATOM 1387 CD ARG A 87 -3.640 -9.716 -13.535 1.00 0.00 C ATOM 1388 NE ARG A 87 -2.528 -10.692 -13.536 1.00 0.00 N ATOM 1389 CZ ARG A 87 -2.207 -11.464 -14.583 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -2.912 -11.379 -15.720 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -1.182 -12.323 -14.494 1.00 0.00 N ATOM 0 H ARG A 87 -5.215 -8.013 -8.887 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.985 -7.275 -10.574 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.064 -8.865 -12.020 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.155 -7.725 -12.991 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.069 -8.800 -11.667 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.173 -10.149 -11.490 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.527 -10.162 -13.986 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.375 -8.850 -14.141 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.971 -10.783 -12.686 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.693 -10.726 -15.788 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.667 -11.967 -16.517 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.646 -12.389 -13.629 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.938 -12.910 -15.291 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.539 -5.073 -10.305 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.019 -3.722 -10.540 1.00 0.00 C ATOM 1407 C ASP A 88 -4.850 -2.742 -10.416 1.00 0.00 C ATOM 1408 O ASP A 88 -3.767 -3.116 -9.968 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.078 -3.327 -9.509 1.00 0.00 C ATOM 1410 CG ASP A 88 -7.962 -2.145 -9.912 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -8.507 -2.201 -11.036 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -8.075 -1.213 -9.086 1.00 0.00 O ATOM 0 H ASP A 88 -5.190 -5.243 -9.362 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.457 -3.688 -11.538 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.716 -4.190 -9.317 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.578 -3.085 -8.571 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.109 -1.508 -10.821 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.092 -0.472 -10.762 1.00 0.00 C ATOM 1419 C GLU A 89 -4.531 0.650 -9.818 1.00 0.00 C ATOM 1420 O GLU A 89 -5.452 1.404 -10.130 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.784 0.076 -12.157 1.00 0.00 C ATOM 1422 CG GLU A 89 -2.952 -0.922 -12.966 1.00 0.00 C ATOM 1423 CD GLU A 89 -2.058 -0.199 -13.975 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -2.606 0.231 -15.013 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -0.847 -0.092 -13.686 1.00 0.00 O ATOM 0 H GLU A 89 -6.009 -1.202 -11.192 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.175 -0.913 -10.370 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.715 0.289 -12.682 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.244 1.019 -12.070 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.337 -1.519 -12.292 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.613 -1.612 -13.490 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.853 0.724 -8.682 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.162 1.740 -7.691 1.00 0.00 C ATOM 1434 C VAL A 90 -2.942 2.643 -7.495 1.00 0.00 C ATOM 1435 O VAL A 90 -1.805 2.193 -7.627 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.631 1.079 -6.393 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.472 2.031 -5.205 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -6.076 0.593 -6.516 1.00 0.00 C ATOM 0 H VAL A 90 -3.091 0.097 -8.426 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.982 2.371 -8.034 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.999 0.209 -6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.812 1.537 -4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.423 2.307 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.067 2.928 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.384 0.127 -5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.728 1.440 -6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.147 -0.135 -7.324 1.00 0.00 H new ATOM 1448 N SER A 91 -3.221 3.901 -7.184 1.00 0.00 N ATOM 1449 CA SER A 91 -2.161 4.871 -6.970 1.00 0.00 C ATOM 1450 C SER A 91 -2.469 5.719 -5.734 1.00 0.00 C ATOM 1451 O SER A 91 -3.583 5.680 -5.213 1.00 0.00 O ATOM 1452 CB SER A 91 -1.977 5.767 -8.196 1.00 0.00 C ATOM 1453 OG SER A 91 -2.343 5.102 -9.402 1.00 0.00 O ATOM 0 H SER A 91 -4.166 4.270 -7.075 1.00 0.00 H new ATOM 0 HA SER A 91 -1.230 4.328 -6.808 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.580 6.668 -8.081 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.937 6.086 -8.259 1.00 0.00 H new ATOM 0 HG SER A 91 -2.213 5.707 -10.162 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.464 6.465 -5.301 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.614 7.321 -4.137 1.00 0.00 C ATOM 1461 C PHE A 92 -2.074 8.722 -4.543 1.00 0.00 C ATOM 1462 O PHE A 92 -1.973 9.100 -5.709 1.00 0.00 O ATOM 1463 CB PHE A 92 -0.239 7.420 -3.474 1.00 0.00 C ATOM 1464 CG PHE A 92 -0.026 6.427 -2.329 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.464 6.729 -1.077 1.00 0.00 C ATOM 1466 CD2 PHE A 92 0.600 5.243 -2.564 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.267 5.807 -0.015 1.00 0.00 C ATOM 1468 CE2 PHE A 92 0.797 4.321 -1.502 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.359 4.623 -0.250 1.00 0.00 C ATOM 0 H PHE A 92 -0.542 6.494 -5.736 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.361 6.904 -3.462 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.530 7.258 -4.230 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.103 8.432 -3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.961 7.669 -0.891 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.947 5.004 -3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.614 6.046 0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.294 3.381 -1.688 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.509 3.922 0.558 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.570 9.456 -3.557 1.00 0.00 N ATOM 1480 CA ILE A 93 -3.045 10.808 -3.797 1.00 0.00 C ATOM 1481 C ILE A 93 -2.682 11.691 -2.601 1.00 0.00 C ATOM 1482 O ILE A 93 -2.446 11.190 -1.503 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.540 10.800 -4.123 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -5.057 12.220 -4.359 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.335 10.074 -3.036 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -6.471 12.199 -4.944 1.00 0.00 C ATOM 0 H ILE A 93 -2.653 9.140 -2.591 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.553 11.235 -4.671 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.684 10.246 -5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.057 12.772 -3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.387 12.747 -5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.394 10.083 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.989 9.043 -2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.189 10.578 -2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.815 13.221 -5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.463 11.668 -5.896 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.144 11.693 -4.252 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.648 12.991 -2.856 1.00 0.00 N ATOM 1499 CA LYS A 94 -2.317 13.949 -1.814 1.00 0.00 C ATOM 1500 C LYS A 94 -3.568 14.752 -1.450 1.00 0.00 C ATOM 1501 O LYS A 94 -4.244 15.287 -2.328 1.00 0.00 O ATOM 1502 CB LYS A 94 -1.132 14.817 -2.242 1.00 0.00 C ATOM 1503 CG LYS A 94 -0.506 15.522 -1.037 1.00 0.00 C ATOM 1504 CD LYS A 94 -0.515 17.041 -1.225 1.00 0.00 C ATOM 1505 CE LYS A 94 0.595 17.701 -0.405 1.00 0.00 C ATOM 1506 NZ LYS A 94 1.075 18.930 -1.077 1.00 0.00 N ATOM 0 H LYS A 94 -2.844 13.403 -3.768 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.994 13.433 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.383 14.198 -2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.463 15.558 -2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.055 15.261 -0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.518 15.175 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.385 17.281 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.483 17.443 -0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.224 17.945 0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.423 17.004 -0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.828 19.366 -0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.448 18.688 -2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.286 19.600 -1.179 1.00 0.00 H new ATOM 1520 N LYS A 95 -3.837 14.812 -0.155 1.00 0.00 N ATOM 1521 CA LYS A 95 -4.994 15.541 0.336 1.00 0.00 C ATOM 1522 C LYS A 95 -5.060 16.907 -0.350 1.00 0.00 C ATOM 1523 O LYS A 95 -4.091 17.340 -0.973 1.00 0.00 O ATOM 1524 CB LYS A 95 -4.969 15.621 1.864 1.00 0.00 C ATOM 1525 CG LYS A 95 -5.128 14.233 2.488 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.264 14.328 4.009 1.00 0.00 C ATOM 1527 CE LYS A 95 -6.686 14.729 4.409 1.00 0.00 C ATOM 1528 NZ LYS A 95 -6.772 14.944 5.871 1.00 0.00 N ATOM 0 H LYS A 95 -3.274 14.368 0.570 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.913 15.012 0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.030 16.066 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.770 16.274 2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.007 13.741 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.266 13.615 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.012 13.368 4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.554 15.059 4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.975 15.640 3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.388 13.951 4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.743 15.215 6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.517 14.066 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.117 15.702 6.150 1.00 0.00 H new