USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=18 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 -114:sc=-0.00171 (180deg=-1.78) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 60:sc= -0.279 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 155:sc= -5.31! (180deg=-7.76!) USER MOD Single : A 26 GLN : amide:sc= -0.0362 X(o=-0.036,f=0.15) USER MOD Single : A 27 ASN : amide:sc= -1 K(o=-1,f=-9.2!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -115:sc= -0.0217 (180deg=-0.401) USER MOD Single : A 38 GLN : amide:sc= -0.04 K(o=-0.04,f=-0.91!) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.133 USER MOD Single : A 42 GLN : amide:sc= -0.207 K(o=-0.21,f=-0.88) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0826 X(o=-0.083,f=-0.41) USER MOD Single : A 55 SER OG : rot 64:sc= 1.15 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 -19:sc= 0.183 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.588 USER MOD Single : A 64 HIS : no HE2:sc= -0.58 K(o=-0.58,f=-1.3) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 67 SER OG : rot 120:sc= -0.0294 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00401 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 -50:sc= 0.234 USER MOD Single : A 86 ASN : amide:sc= -1.59 K(o=-1.6,f=-5.9!) USER MOD Single : A 91 SER OG : rot 180:sc= -0.077 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 -5.495 -15.130 -3.888 1.00 0.00 N ATOM 60 CA GLY A 7 -5.609 -13.730 -3.518 1.00 0.00 C ATOM 61 C GLY A 7 -5.663 -12.838 -4.760 1.00 0.00 C ATOM 62 O GLY A 7 -6.244 -13.217 -5.776 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.507 -13.580 -2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.760 -13.444 -2.897 1.00 0.00 H new ATOM 66 N MET A 8 -5.051 -11.669 -4.637 1.00 0.00 N ATOM 67 CA MET A 8 -5.022 -10.720 -5.737 1.00 0.00 C ATOM 68 C MET A 8 -3.743 -9.881 -5.703 1.00 0.00 C ATOM 69 O MET A 8 -2.976 -9.950 -4.744 1.00 0.00 O ATOM 70 CB MET A 8 -6.240 -9.799 -5.648 1.00 0.00 C ATOM 71 CG MET A 8 -6.442 -9.293 -4.218 1.00 0.00 C ATOM 72 SD MET A 8 -8.181 -9.284 -3.814 1.00 0.00 S ATOM 73 CE MET A 8 -8.712 -7.867 -4.761 1.00 0.00 C ATOM 0 H MET A 8 -4.571 -11.358 -3.792 1.00 0.00 H new ATOM 0 HA MET A 8 -5.044 -11.277 -6.674 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.110 -8.952 -6.322 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.130 -10.335 -5.977 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.901 -9.930 -3.518 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.032 -8.288 -4.118 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.038 -7.078 -4.083 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.883 -7.504 -5.369 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.540 -8.153 -5.410 1.00 0.00 H new ATOM 83 N THR A 9 -3.553 -9.107 -6.762 1.00 0.00 N ATOM 84 CA THR A 9 -2.380 -8.255 -6.865 1.00 0.00 C ATOM 85 C THR A 9 -2.796 -6.800 -7.091 1.00 0.00 C ATOM 86 O THR A 9 -3.182 -6.426 -8.197 1.00 0.00 O ATOM 87 CB THR A 9 -1.489 -8.812 -7.977 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.670 -9.774 -7.317 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.494 -7.775 -8.504 1.00 0.00 C ATOM 0 H THR A 9 -4.191 -9.052 -7.556 1.00 0.00 H new ATOM 0 HA THR A 9 -1.807 -8.256 -5.938 1.00 0.00 H new ATOM 0 HB THR A 9 -2.112 -9.168 -8.797 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.062 -10.186 -7.966 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.114 -8.221 -9.291 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.038 -6.920 -8.906 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.152 -7.444 -7.691 1.00 0.00 H new ATOM 97 N VAL A 10 -2.704 -6.020 -6.024 1.00 0.00 N ATOM 98 CA VAL A 10 -3.066 -4.614 -6.092 1.00 0.00 C ATOM 99 C VAL A 10 -1.800 -3.774 -6.273 1.00 0.00 C ATOM 100 O VAL A 10 -1.099 -3.486 -5.305 1.00 0.00 O ATOM 101 CB VAL A 10 -3.873 -4.221 -4.853 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.208 -2.728 -4.868 1.00 0.00 C ATOM 103 CG2 VAL A 10 -5.142 -5.067 -4.734 1.00 0.00 C ATOM 0 H VAL A 10 -2.384 -6.335 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.707 -4.426 -6.954 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.257 -4.417 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.782 -2.475 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.285 -2.148 -4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.796 -2.496 -5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.697 -4.767 -3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.763 -4.918 -5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.871 -6.120 -4.655 1.00 0.00 H new ATOM 113 N ARG A 11 -1.547 -3.405 -7.520 1.00 0.00 N ATOM 114 CA ARG A 11 -0.377 -2.603 -7.840 1.00 0.00 C ATOM 115 C ARG A 11 -0.562 -1.171 -7.336 1.00 0.00 C ATOM 116 O ARG A 11 -1.402 -0.432 -7.847 1.00 0.00 O ATOM 117 CB ARG A 11 -0.124 -2.577 -9.348 1.00 0.00 C ATOM 118 CG ARG A 11 0.660 -3.814 -9.794 1.00 0.00 C ATOM 119 CD ARG A 11 1.282 -3.600 -11.175 1.00 0.00 C ATOM 120 NE ARG A 11 2.524 -4.394 -11.299 1.00 0.00 N ATOM 121 CZ ARG A 11 3.248 -4.486 -12.423 1.00 0.00 C ATOM 122 NH1 ARG A 11 2.858 -3.834 -13.527 1.00 0.00 N ATOM 123 NH2 ARG A 11 4.362 -5.231 -12.443 1.00 0.00 N ATOM 0 H ARG A 11 -2.131 -3.646 -8.321 1.00 0.00 H new ATOM 0 HA ARG A 11 0.482 -3.057 -7.347 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.075 -2.534 -9.879 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.430 -1.676 -9.612 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.443 -4.034 -9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.002 -4.679 -9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.575 -3.893 -11.951 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.500 -2.543 -11.325 1.00 0.00 H new ATOM 0 HE ARG A 11 2.850 -4.903 -10.478 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.010 -3.268 -13.512 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.409 -3.904 -14.382 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.658 -5.728 -11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.913 -5.301 -13.298 1.00 0.00 H new ATOM 137 N VAL A 12 0.238 -0.821 -6.338 1.00 0.00 N ATOM 138 CA VAL A 12 0.173 0.510 -5.760 1.00 0.00 C ATOM 139 C VAL A 12 1.149 1.430 -6.497 1.00 0.00 C ATOM 140 O VAL A 12 2.362 1.238 -6.426 1.00 0.00 O ATOM 141 CB VAL A 12 0.439 0.440 -4.254 1.00 0.00 C ATOM 142 CG1 VAL A 12 1.910 0.722 -3.944 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.476 1.399 -3.491 1.00 0.00 C ATOM 0 H VAL A 12 0.934 -1.436 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.825 0.931 -5.882 1.00 0.00 H new ATOM 0 HB VAL A 12 0.215 -0.573 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.072 0.666 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.535 -0.017 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.172 1.719 -4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.267 1.330 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.298 2.419 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.517 1.132 -3.675 1.00 0.00 H new ATOM 153 N CYS A 13 0.583 2.409 -7.187 1.00 0.00 N ATOM 154 CA CYS A 13 1.387 3.359 -7.936 1.00 0.00 C ATOM 155 C CYS A 13 1.730 4.531 -7.014 1.00 0.00 C ATOM 156 O CYS A 13 1.001 5.521 -6.964 1.00 0.00 O ATOM 157 CB CYS A 13 0.676 3.824 -9.208 1.00 0.00 C ATOM 158 SG CYS A 13 -0.278 2.440 -9.932 1.00 0.00 S ATOM 0 H CYS A 13 -0.423 2.565 -7.243 1.00 0.00 H new ATOM 0 HA CYS A 13 2.307 2.877 -8.268 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.010 4.656 -8.979 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.406 4.190 -9.930 1.00 0.00 H new ATOM 0 HG CYS A 13 -1.159 2.023 -9.072 1.00 0.00 H new ATOM 164 N LYS A 14 2.840 4.380 -6.306 1.00 0.00 N ATOM 165 CA LYS A 14 3.288 5.414 -5.388 1.00 0.00 C ATOM 166 C LYS A 14 3.081 6.786 -6.032 1.00 0.00 C ATOM 167 O LYS A 14 3.119 6.915 -7.254 1.00 0.00 O ATOM 168 CB LYS A 14 4.730 5.152 -4.949 1.00 0.00 C ATOM 169 CG LYS A 14 4.794 4.012 -3.930 1.00 0.00 C ATOM 170 CD LYS A 14 6.234 3.761 -3.478 1.00 0.00 C ATOM 171 CE LYS A 14 7.067 3.157 -4.610 1.00 0.00 C ATOM 172 NZ LYS A 14 8.461 2.933 -4.166 1.00 0.00 N ATOM 0 H LYS A 14 3.442 3.558 -6.349 1.00 0.00 H new ATOM 0 HA LYS A 14 2.693 5.397 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.339 4.903 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.152 6.058 -4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.175 4.256 -3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.383 3.103 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.684 4.698 -3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.238 3.088 -2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.625 2.214 -4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.057 3.823 -5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.012 2.523 -4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.885 3.839 -3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.467 2.279 -3.357 1.00 0.00 H new ATOM 237 N VAL A 19 5.594 1.898 -9.036 1.00 0.00 N ATOM 238 CA VAL A 19 4.445 1.118 -8.609 1.00 0.00 C ATOM 239 C VAL A 19 4.929 -0.160 -7.921 1.00 0.00 C ATOM 240 O VAL A 19 5.967 -0.710 -8.285 1.00 0.00 O ATOM 241 CB VAL A 19 3.526 0.844 -9.802 1.00 0.00 C ATOM 242 CG1 VAL A 19 4.331 0.717 -11.096 1.00 0.00 C ATOM 243 CG2 VAL A 19 2.673 -0.403 -9.561 1.00 0.00 C ATOM 0 HA VAL A 19 3.854 1.675 -7.882 1.00 0.00 H new ATOM 0 HB VAL A 19 2.853 1.694 -9.909 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.654 0.522 -11.928 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.874 1.644 -11.279 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.039 -0.106 -11.004 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.029 -0.576 -10.423 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.323 -1.266 -9.415 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.058 -0.257 -8.673 1.00 0.00 H new ATOM 253 N MET A 20 4.153 -0.596 -6.939 1.00 0.00 N ATOM 254 CA MET A 20 4.490 -1.799 -6.198 1.00 0.00 C ATOM 255 C MET A 20 3.302 -2.762 -6.147 1.00 0.00 C ATOM 256 O MET A 20 2.209 -2.385 -5.728 1.00 0.00 O ATOM 257 CB MET A 20 4.902 -1.422 -4.773 1.00 0.00 C ATOM 258 CG MET A 20 6.425 -1.413 -4.628 1.00 0.00 C ATOM 259 SD MET A 20 6.887 -0.629 -3.092 1.00 0.00 S ATOM 260 CE MET A 20 5.577 -1.223 -2.035 1.00 0.00 C ATOM 0 H MET A 20 3.292 -0.138 -6.640 1.00 0.00 H new ATOM 0 HA MET A 20 5.316 -2.297 -6.706 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.503 -0.439 -4.523 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.470 -2.130 -4.066 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.807 -2.433 -4.654 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.875 -0.882 -5.467 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.916 -1.220 -0.999 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.707 -0.574 -2.134 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.307 -2.238 -2.326 1.00 0.00 H new ATOM 270 N PRO A 21 3.564 -4.021 -6.592 1.00 0.00 N ATOM 271 CA PRO A 21 2.530 -5.041 -6.602 1.00 0.00 C ATOM 272 C PRO A 21 2.258 -5.560 -5.188 1.00 0.00 C ATOM 273 O PRO A 21 3.090 -6.256 -4.608 1.00 0.00 O ATOM 274 CB PRO A 21 3.049 -6.119 -7.540 1.00 0.00 C ATOM 275 CG PRO A 21 4.546 -5.884 -7.656 1.00 0.00 C ATOM 276 CD PRO A 21 4.846 -4.504 -7.095 1.00 0.00 C ATOM 0 HA PRO A 21 1.568 -4.661 -6.947 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.839 -7.114 -7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.567 -6.054 -8.515 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.096 -6.648 -7.106 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.863 -5.950 -8.697 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.590 -4.553 -6.300 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.244 -3.842 -7.864 1.00 0.00 H new ATOM 284 N VAL A 22 1.090 -5.201 -4.675 1.00 0.00 N ATOM 285 CA VAL A 22 0.698 -5.622 -3.340 1.00 0.00 C ATOM 286 C VAL A 22 -0.291 -6.784 -3.446 1.00 0.00 C ATOM 287 O VAL A 22 -1.019 -6.896 -4.432 1.00 0.00 O ATOM 288 CB VAL A 22 0.140 -4.430 -2.559 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.267 -4.845 -1.144 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.144 -3.277 -2.526 1.00 0.00 C ATOM 0 H VAL A 22 0.403 -4.624 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 22 1.563 -5.982 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.754 -4.079 -3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.660 -3.980 -0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.034 -5.618 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.603 -5.234 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.722 -2.443 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.064 -3.609 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.362 -2.956 -3.544 1.00 0.00 H new ATOM 300 N VAL A 23 -0.286 -7.619 -2.418 1.00 0.00 N ATOM 301 CA VAL A 23 -1.173 -8.769 -2.383 1.00 0.00 C ATOM 302 C VAL A 23 -2.101 -8.655 -1.172 1.00 0.00 C ATOM 303 O VAL A 23 -1.705 -8.138 -0.129 1.00 0.00 O ATOM 304 CB VAL A 23 -0.356 -10.062 -2.391 1.00 0.00 C ATOM 305 CG1 VAL A 23 0.528 -10.159 -1.146 1.00 0.00 C ATOM 306 CG2 VAL A 23 -1.266 -11.286 -2.514 1.00 0.00 C ATOM 0 H VAL A 23 0.319 -7.522 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.802 -8.793 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 23 0.296 -10.041 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.098 -11.087 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.214 -9.312 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.098 -10.147 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.659 -12.192 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.955 -11.314 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.833 -11.226 -3.443 1.00 0.00 H new ATOM 316 N VAL A 24 -3.318 -9.147 -1.350 1.00 0.00 N ATOM 317 CA VAL A 24 -4.305 -9.107 -0.285 1.00 0.00 C ATOM 318 C VAL A 24 -5.307 -10.247 -0.480 1.00 0.00 C ATOM 319 O VAL A 24 -5.190 -11.025 -1.426 1.00 0.00 O ATOM 320 CB VAL A 24 -4.969 -7.729 -0.238 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.005 -6.675 0.309 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.496 -7.328 -1.617 1.00 0.00 C ATOM 0 H VAL A 24 -3.643 -9.576 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.827 -9.256 0.683 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.820 -7.789 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.501 -5.705 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.699 -6.950 1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.126 -6.618 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.963 -6.345 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.669 -7.294 -2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.232 -8.059 -1.952 1.00 0.00 H new ATOM 332 N VAL A 25 -6.268 -10.310 0.429 1.00 0.00 N ATOM 333 CA VAL A 25 -7.289 -11.342 0.369 1.00 0.00 C ATOM 334 C VAL A 25 -8.301 -10.989 -0.723 1.00 0.00 C ATOM 335 O VAL A 25 -8.449 -9.822 -1.083 1.00 0.00 O ATOM 336 CB VAL A 25 -7.934 -11.522 1.745 1.00 0.00 C ATOM 337 CG1 VAL A 25 -6.900 -11.969 2.780 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.638 -10.239 2.192 1.00 0.00 C ATOM 0 H VAL A 25 -6.361 -9.663 1.212 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.846 -12.302 0.105 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.687 -12.306 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.384 -12.090 3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.464 -12.919 2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.115 -11.217 2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.088 -10.394 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.913 -9.427 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.415 -9.981 1.473 1.00 0.00 H new ATOM 348 N GLN A 26 -8.970 -12.019 -1.220 1.00 0.00 N ATOM 349 CA GLN A 26 -9.964 -11.832 -2.264 1.00 0.00 C ATOM 350 C GLN A 26 -11.001 -10.794 -1.830 1.00 0.00 C ATOM 351 O GLN A 26 -11.709 -10.233 -2.665 1.00 0.00 O ATOM 352 CB GLN A 26 -10.634 -13.158 -2.627 1.00 0.00 C ATOM 353 CG GLN A 26 -10.330 -13.548 -4.075 1.00 0.00 C ATOM 354 CD GLN A 26 -11.379 -12.973 -5.029 1.00 0.00 C ATOM 355 OE1 GLN A 26 -11.873 -11.870 -4.858 1.00 0.00 O ATOM 356 NE2 GLN A 26 -11.690 -13.778 -6.041 1.00 0.00 N ATOM 0 H GLN A 26 -8.844 -12.985 -0.919 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.460 -11.462 -3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.285 -13.942 -1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.712 -13.075 -2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.341 -13.184 -4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.307 -14.634 -4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.239 -14.689 -6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.380 -13.484 -6.733 1.00 0.00 H new ATOM 365 N ASN A 27 -11.057 -10.570 -0.526 1.00 0.00 N ATOM 366 CA ASN A 27 -11.996 -9.610 0.029 1.00 0.00 C ATOM 367 C ASN A 27 -11.263 -8.696 1.013 1.00 0.00 C ATOM 368 O ASN A 27 -11.590 -8.665 2.199 1.00 0.00 O ATOM 369 CB ASN A 27 -13.122 -10.315 0.787 1.00 0.00 C ATOM 370 CG ASN A 27 -12.562 -11.206 1.897 1.00 0.00 C ATOM 371 OD1 ASN A 27 -11.365 -11.408 2.022 1.00 0.00 O ATOM 372 ND2 ASN A 27 -13.491 -11.728 2.693 1.00 0.00 N ATOM 0 H ASN A 27 -10.467 -11.037 0.163 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.420 -9.038 -0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.796 -9.574 1.216 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.710 -10.917 0.094 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.218 -12.338 3.464 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -14.476 -11.518 2.533 1.00 0.00 H new ATOM 379 N ALA A 28 -10.284 -7.975 0.486 1.00 0.00 N ATOM 380 CA ALA A 28 -9.502 -7.064 1.304 1.00 0.00 C ATOM 381 C ALA A 28 -10.193 -5.699 1.343 1.00 0.00 C ATOM 382 O ALA A 28 -11.142 -5.459 0.597 1.00 0.00 O ATOM 383 CB ALA A 28 -8.077 -6.980 0.754 1.00 0.00 C ATOM 0 H ALA A 28 -10.015 -8.003 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.435 -7.429 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.490 -6.297 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.620 -7.969 0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.104 -6.614 -0.272 1.00 0.00 H new ATOM 389 N THR A 29 -9.691 -4.842 2.219 1.00 0.00 N ATOM 390 CA THR A 29 -10.248 -3.508 2.365 1.00 0.00 C ATOM 391 C THR A 29 -9.134 -2.459 2.337 1.00 0.00 C ATOM 392 O THR A 29 -7.954 -2.801 2.384 1.00 0.00 O ATOM 393 CB THR A 29 -11.077 -3.480 3.650 1.00 0.00 C ATOM 394 OG1 THR A 29 -10.107 -3.550 4.691 1.00 0.00 O ATOM 395 CG2 THR A 29 -11.915 -4.747 3.835 1.00 0.00 C ATOM 0 H THR A 29 -8.904 -5.045 2.835 1.00 0.00 H new ATOM 0 HA THR A 29 -10.906 -3.260 1.532 1.00 0.00 H new ATOM 0 HB THR A 29 -11.733 -2.610 3.639 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.559 -3.535 5.561 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.484 -4.675 4.762 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.602 -4.855 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.257 -5.615 3.879 1.00 0.00 H new ATOM 403 N VAL A 30 -9.550 -1.203 2.261 1.00 0.00 N ATOM 404 CA VAL A 30 -8.603 -0.102 2.226 1.00 0.00 C ATOM 405 C VAL A 30 -7.523 -0.330 3.286 1.00 0.00 C ATOM 406 O VAL A 30 -6.340 -0.113 3.030 1.00 0.00 O ATOM 407 CB VAL A 30 -9.339 1.228 2.400 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.368 2.407 2.316 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.464 1.369 1.372 1.00 0.00 C ATOM 0 H VAL A 30 -10.530 -0.924 2.223 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.105 -0.058 1.258 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.789 1.236 3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.917 3.340 2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.618 2.317 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.876 2.405 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.972 2.323 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.045 1.330 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.178 0.555 1.500 1.00 0.00 H new ATOM 419 N LEU A 31 -7.970 -0.766 4.455 1.00 0.00 N ATOM 420 CA LEU A 31 -7.057 -1.026 5.555 1.00 0.00 C ATOM 421 C LEU A 31 -6.025 -2.070 5.121 1.00 0.00 C ATOM 422 O LEU A 31 -4.834 -1.774 5.041 1.00 0.00 O ATOM 423 CB LEU A 31 -7.833 -1.417 6.815 1.00 0.00 C ATOM 424 CG LEU A 31 -7.048 -1.370 8.127 1.00 0.00 C ATOM 425 CD1 LEU A 31 -6.318 -0.034 8.282 1.00 0.00 C ATOM 426 CD2 LEU A 31 -7.958 -1.667 9.321 1.00 0.00 C ATOM 0 H LEU A 31 -8.952 -0.946 4.664 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.507 -0.121 5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.695 -0.756 6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.219 -2.428 6.681 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.288 -2.151 8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.768 -0.027 9.223 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.622 0.099 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.044 0.779 8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.375 -1.627 10.241 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.755 -0.925 9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.392 -2.660 9.209 1.00 0.00 H new ATOM 438 N ASP A 32 -6.521 -3.268 4.851 1.00 0.00 N ATOM 439 CA ASP A 32 -5.657 -4.357 4.426 1.00 0.00 C ATOM 440 C ASP A 32 -4.619 -3.823 3.437 1.00 0.00 C ATOM 441 O ASP A 32 -3.418 -3.998 3.638 1.00 0.00 O ATOM 442 CB ASP A 32 -6.459 -5.454 3.723 1.00 0.00 C ATOM 443 CG ASP A 32 -5.858 -6.858 3.821 1.00 0.00 C ATOM 444 OD1 ASP A 32 -5.677 -7.318 4.969 1.00 0.00 O ATOM 445 OD2 ASP A 32 -5.595 -7.439 2.746 1.00 0.00 O ATOM 0 H ASP A 32 -7.510 -3.509 4.918 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.177 -4.772 5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.464 -5.475 4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.560 -5.191 2.670 1.00 0.00 H new ATOM 450 N LEU A 33 -5.120 -3.182 2.391 1.00 0.00 N ATOM 451 CA LEU A 33 -4.250 -2.620 1.371 1.00 0.00 C ATOM 452 C LEU A 33 -3.028 -1.989 2.040 1.00 0.00 C ATOM 453 O LEU A 33 -1.899 -2.423 1.815 1.00 0.00 O ATOM 454 CB LEU A 33 -5.029 -1.655 0.476 1.00 0.00 C ATOM 455 CG LEU A 33 -4.595 -1.602 -0.991 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.303 -0.798 -1.151 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.471 -3.009 -1.577 1.00 0.00 C ATOM 0 H LEU A 33 -6.117 -3.039 2.228 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.881 -3.404 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.084 -1.928 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.944 -0.653 0.896 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.369 -1.085 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.016 -0.776 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.462 0.220 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.509 -1.265 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.161 -2.943 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.728 -3.574 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.435 -3.515 -1.516 1.00 0.00 H new ATOM 469 N LYS A 34 -3.294 -0.973 2.848 1.00 0.00 N ATOM 470 CA LYS A 34 -2.230 -0.277 3.551 1.00 0.00 C ATOM 471 C LYS A 34 -1.362 -1.297 4.292 1.00 0.00 C ATOM 472 O LYS A 34 -0.150 -1.350 4.089 1.00 0.00 O ATOM 473 CB LYS A 34 -2.808 0.812 4.457 1.00 0.00 C ATOM 474 CG LYS A 34 -3.360 1.976 3.631 1.00 0.00 C ATOM 475 CD LYS A 34 -4.866 2.138 3.850 1.00 0.00 C ATOM 476 CE LYS A 34 -5.202 3.556 4.318 1.00 0.00 C ATOM 477 NZ LYS A 34 -5.848 3.522 5.649 1.00 0.00 N ATOM 0 H LYS A 34 -4.231 -0.615 3.031 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.582 0.241 2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.601 0.392 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.035 1.176 5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.848 2.898 3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.159 1.804 2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.397 1.921 2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.209 1.416 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.293 4.155 4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.864 4.036 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.070 4.492 5.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.726 2.967 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.203 3.083 6.337 1.00 0.00 H new ATOM 491 N LYS A 35 -2.017 -2.080 5.136 1.00 0.00 N ATOM 492 CA LYS A 35 -1.321 -3.095 5.909 1.00 0.00 C ATOM 493 C LYS A 35 -0.382 -3.876 4.988 1.00 0.00 C ATOM 494 O LYS A 35 0.774 -4.116 5.333 1.00 0.00 O ATOM 495 CB LYS A 35 -2.321 -3.977 6.659 1.00 0.00 C ATOM 496 CG LYS A 35 -3.259 -3.131 7.522 1.00 0.00 C ATOM 497 CD LYS A 35 -4.010 -4.001 8.532 1.00 0.00 C ATOM 498 CE LYS A 35 -3.252 -4.080 9.858 1.00 0.00 C ATOM 499 NZ LYS A 35 -2.426 -5.306 9.911 1.00 0.00 N ATOM 0 H LYS A 35 -3.022 -2.032 5.302 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.702 -2.631 6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.904 -4.560 5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.784 -4.688 7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.685 -2.369 8.049 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.973 -2.609 6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.005 -3.590 8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.144 -5.003 8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.617 -3.202 9.973 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.958 -4.074 10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.780 -5.931 10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.479 -5.800 8.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.438 -5.050 10.109 1.00 0.00 H new ATOM 513 N ALA A 36 -0.914 -4.252 3.834 1.00 0.00 N ATOM 514 CA ALA A 36 -0.138 -5.001 2.861 1.00 0.00 C ATOM 515 C ALA A 36 1.098 -4.191 2.468 1.00 0.00 C ATOM 516 O ALA A 36 2.221 -4.561 2.807 1.00 0.00 O ATOM 517 CB ALA A 36 -1.020 -5.341 1.657 1.00 0.00 C ATOM 0 H ALA A 36 -1.873 -4.052 3.551 1.00 0.00 H new ATOM 0 HA ALA A 36 0.207 -5.942 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.438 -5.903 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.868 -5.942 1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.383 -4.420 1.200 1.00 0.00 H new ATOM 523 N ILE A 37 0.850 -3.100 1.758 1.00 0.00 N ATOM 524 CA ILE A 37 1.930 -2.233 1.316 1.00 0.00 C ATOM 525 C ILE A 37 2.955 -2.087 2.442 1.00 0.00 C ATOM 526 O ILE A 37 4.149 -1.939 2.184 1.00 0.00 O ATOM 527 CB ILE A 37 1.375 -0.900 0.813 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.449 -1.109 -0.388 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.506 0.083 0.501 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.538 0.052 -0.528 1.00 0.00 C ATOM 0 H ILE A 37 -0.083 -2.796 1.478 1.00 0.00 H new ATOM 0 HA ILE A 37 2.450 -2.676 0.467 1.00 0.00 H new ATOM 0 HB ILE A 37 0.775 -0.458 1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.042 -1.198 -1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.098 -2.044 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.084 1.023 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.089 0.266 1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.153 -0.339 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.184 -0.121 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.146 0.123 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.012 0.982 -0.669 1.00 0.00 H new ATOM 542 N GLN A 38 2.452 -2.134 3.667 1.00 0.00 N ATOM 543 CA GLN A 38 3.309 -2.009 4.833 1.00 0.00 C ATOM 544 C GLN A 38 4.082 -3.308 5.066 1.00 0.00 C ATOM 545 O GLN A 38 5.311 -3.304 5.109 1.00 0.00 O ATOM 546 CB GLN A 38 2.497 -1.624 6.072 1.00 0.00 C ATOM 547 CG GLN A 38 2.670 -0.140 6.401 1.00 0.00 C ATOM 548 CD GLN A 38 1.968 0.215 7.714 1.00 0.00 C ATOM 549 OE1 GLN A 38 1.096 1.066 7.771 1.00 0.00 O ATOM 550 NE2 GLN A 38 2.397 -0.482 8.762 1.00 0.00 N ATOM 0 H GLN A 38 1.461 -2.257 3.877 1.00 0.00 H new ATOM 0 HA GLN A 38 4.027 -1.210 4.647 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.443 -1.842 5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.815 -2.228 6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.731 0.099 6.475 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.263 0.466 5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.131 -1.180 8.644 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.992 -0.318 9.684 1.00 0.00 H new ATOM 559 N ARG A 39 3.330 -4.389 5.210 1.00 0.00 N ATOM 560 CA ARG A 39 3.929 -5.693 5.438 1.00 0.00 C ATOM 561 C ARG A 39 4.723 -6.135 4.206 1.00 0.00 C ATOM 562 O ARG A 39 5.430 -7.140 4.247 1.00 0.00 O ATOM 563 CB ARG A 39 2.860 -6.743 5.750 1.00 0.00 C ATOM 564 CG ARG A 39 2.255 -6.513 7.136 1.00 0.00 C ATOM 565 CD ARG A 39 2.642 -7.638 8.098 1.00 0.00 C ATOM 566 NE ARG A 39 1.611 -7.782 9.150 1.00 0.00 N ATOM 567 CZ ARG A 39 1.510 -8.843 9.962 1.00 0.00 C ATOM 568 NH1 ARG A 39 2.375 -9.859 9.848 1.00 0.00 N ATOM 569 NH2 ARG A 39 0.543 -8.887 10.889 1.00 0.00 N ATOM 0 H ARG A 39 2.311 -4.389 5.173 1.00 0.00 H new ATOM 0 HA ARG A 39 4.598 -5.606 6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.075 -6.703 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.299 -7.740 5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.598 -5.557 7.532 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.169 -6.454 7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.748 -8.575 7.551 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.609 -7.423 8.552 1.00 0.00 H new ATOM 0 HE ARG A 39 0.935 -7.026 9.264 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.111 -9.825 9.143 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.298 -10.666 10.466 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.116 -8.113 10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.466 -9.694 11.507 1.00 0.00 H new ATOM 583 N TYR A 40 4.579 -5.361 3.141 1.00 0.00 N ATOM 584 CA TYR A 40 5.275 -5.659 1.900 1.00 0.00 C ATOM 585 C TYR A 40 6.702 -5.109 1.925 1.00 0.00 C ATOM 586 O TYR A 40 7.633 -5.766 1.462 1.00 0.00 O ATOM 587 CB TYR A 40 4.488 -4.952 0.795 1.00 0.00 C ATOM 588 CG TYR A 40 5.100 -5.103 -0.599 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.131 -4.275 -0.994 1.00 0.00 C ATOM 590 CD2 TYR A 40 4.621 -6.068 -1.462 1.00 0.00 C ATOM 591 CE1 TYR A 40 6.707 -4.417 -2.306 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.197 -6.210 -2.774 1.00 0.00 C ATOM 593 CZ TYR A 40 6.211 -5.378 -3.131 1.00 0.00 C ATOM 594 OH TYR A 40 6.755 -5.512 -4.370 1.00 0.00 O ATOM 0 H TYR A 40 3.991 -4.528 3.111 1.00 0.00 H new ATOM 0 HA TYR A 40 5.338 -6.736 1.745 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.471 -5.345 0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.416 -3.891 1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.506 -3.520 -0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.814 -6.716 -1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.514 -3.775 -2.628 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.832 -6.961 -3.459 1.00 0.00 H new ATOM 0 HH TYR A 40 6.303 -6.238 -4.849 1.00 0.00 H new ATOM 604 N VAL A 41 6.830 -3.908 2.471 1.00 0.00 N ATOM 605 CA VAL A 41 8.128 -3.262 2.563 1.00 0.00 C ATOM 606 C VAL A 41 8.741 -3.551 3.935 1.00 0.00 C ATOM 607 O VAL A 41 9.921 -3.882 4.034 1.00 0.00 O ATOM 608 CB VAL A 41 7.989 -1.766 2.273 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.344 -1.061 2.371 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.346 -1.530 0.905 1.00 0.00 C ATOM 0 H VAL A 41 6.056 -3.366 2.854 1.00 0.00 H new ATOM 0 HA VAL A 41 8.809 -3.663 1.812 1.00 0.00 H new ATOM 0 HB VAL A 41 7.332 -1.337 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.218 0.001 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.748 -1.186 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.033 -1.495 1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.259 -0.459 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.966 -1.980 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.355 -1.983 0.886 1.00 0.00 H new ATOM 620 N GLN A 42 7.911 -3.416 4.959 1.00 0.00 N ATOM 621 CA GLN A 42 8.356 -3.658 6.320 1.00 0.00 C ATOM 622 C GLN A 42 9.057 -5.015 6.416 1.00 0.00 C ATOM 623 O GLN A 42 10.274 -5.079 6.585 1.00 0.00 O ATOM 624 CB GLN A 42 7.187 -3.574 7.303 1.00 0.00 C ATOM 625 CG GLN A 42 7.666 -3.142 8.690 1.00 0.00 C ATOM 626 CD GLN A 42 7.513 -4.279 9.702 1.00 0.00 C ATOM 627 OE1 GLN A 42 6.584 -5.068 9.652 1.00 0.00 O ATOM 628 NE2 GLN A 42 8.473 -4.318 10.622 1.00 0.00 N ATOM 0 H GLN A 42 6.932 -3.142 4.873 1.00 0.00 H new ATOM 0 HA GLN A 42 9.071 -2.881 6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.447 -2.865 6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.694 -4.544 7.371 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.710 -2.834 8.638 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.095 -2.275 9.022 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.223 -3.626 10.607 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.460 -5.039 11.343 1.00 0.00 H new ATOM 637 N LEU A 43 8.259 -6.066 6.303 1.00 0.00 N ATOM 638 CA LEU A 43 8.787 -7.418 6.375 1.00 0.00 C ATOM 639 C LEU A 43 9.947 -7.560 5.388 1.00 0.00 C ATOM 640 O LEU A 43 11.072 -7.861 5.786 1.00 0.00 O ATOM 641 CB LEU A 43 7.670 -8.442 6.162 1.00 0.00 C ATOM 642 CG LEU A 43 7.211 -9.202 7.408 1.00 0.00 C ATOM 643 CD1 LEU A 43 6.062 -10.156 7.076 1.00 0.00 C ATOM 644 CD2 LEU A 43 8.384 -9.927 8.072 1.00 0.00 C ATOM 0 H LEU A 43 7.250 -6.009 6.162 1.00 0.00 H new ATOM 0 HA LEU A 43 9.186 -7.619 7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.808 -7.927 5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.006 -9.168 5.421 1.00 0.00 H new ATOM 0 HG LEU A 43 6.831 -8.478 8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.755 -10.684 7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.219 -9.587 6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.393 -10.878 6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.030 -10.459 8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.817 -10.639 7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.142 -9.200 8.366 1.00 0.00 H new ATOM 656 N LYS A 44 9.635 -7.338 4.120 1.00 0.00 N ATOM 657 CA LYS A 44 10.637 -7.438 3.073 1.00 0.00 C ATOM 658 C LYS A 44 11.951 -6.832 3.572 1.00 0.00 C ATOM 659 O LYS A 44 12.977 -7.509 3.607 1.00 0.00 O ATOM 660 CB LYS A 44 10.123 -6.809 1.777 1.00 0.00 C ATOM 661 CG LYS A 44 11.163 -6.926 0.661 1.00 0.00 C ATOM 662 CD LYS A 44 10.833 -5.981 -0.497 1.00 0.00 C ATOM 663 CE LYS A 44 11.841 -4.833 -0.573 1.00 0.00 C ATOM 664 NZ LYS A 44 11.146 -3.528 -0.509 1.00 0.00 N ATOM 0 H LYS A 44 8.701 -7.089 3.794 1.00 0.00 H new ATOM 0 HA LYS A 44 10.837 -8.483 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.199 -7.301 1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.884 -5.759 1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.152 -6.693 1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.198 -7.953 0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.837 -6.535 -1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.828 -5.579 -0.368 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.554 -4.912 0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.412 -4.903 -1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.845 -2.760 -0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.483 -3.448 -1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.621 -3.458 0.386 1.00 0.00 H new ATOM 678 N GLN A 45 11.876 -5.563 3.945 1.00 0.00 N ATOM 679 CA GLN A 45 13.046 -4.858 4.440 1.00 0.00 C ATOM 680 C GLN A 45 13.632 -5.588 5.651 1.00 0.00 C ATOM 681 O GLN A 45 14.839 -5.815 5.719 1.00 0.00 O ATOM 682 CB GLN A 45 12.707 -3.407 4.786 1.00 0.00 C ATOM 683 CG GLN A 45 12.611 -2.550 3.522 1.00 0.00 C ATOM 684 CD GLN A 45 12.478 -1.067 3.874 1.00 0.00 C ATOM 685 OE1 GLN A 45 11.817 -0.685 4.826 1.00 0.00 O ATOM 686 NE2 GLN A 45 13.140 -0.255 3.055 1.00 0.00 N ATOM 0 H GLN A 45 11.023 -5.005 3.914 1.00 0.00 H new ATOM 0 HA GLN A 45 13.797 -4.842 3.651 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.762 -3.370 5.328 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.470 -3.000 5.449 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.497 -2.703 2.906 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.752 -2.865 2.929 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.675 -0.641 2.277 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.113 0.754 3.205 1.00 0.00 H new ATOM 695 N GLU A 46 12.750 -5.934 6.577 1.00 0.00 N ATOM 696 CA GLU A 46 13.165 -6.633 7.781 1.00 0.00 C ATOM 697 C GLU A 46 14.142 -7.758 7.432 1.00 0.00 C ATOM 698 O GLU A 46 15.223 -7.848 8.012 1.00 0.00 O ATOM 699 CB GLU A 46 11.956 -7.175 8.545 1.00 0.00 C ATOM 700 CG GLU A 46 11.967 -6.700 9.999 1.00 0.00 C ATOM 701 CD GLU A 46 11.605 -7.842 10.952 1.00 0.00 C ATOM 702 OE1 GLU A 46 12.193 -8.931 10.781 1.00 0.00 O ATOM 703 OE2 GLU A 46 10.748 -7.598 11.829 1.00 0.00 O ATOM 0 H GLU A 46 11.750 -5.743 6.518 1.00 0.00 H new ATOM 0 HA GLU A 46 13.676 -5.923 8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.037 -6.847 8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.961 -8.265 8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.953 -6.311 10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.259 -5.880 10.123 1.00 0.00 H new ATOM 832 N SER A 55 8.323 5.946 8.730 1.00 0.00 N ATOM 833 CA SER A 55 7.327 6.947 9.071 1.00 0.00 C ATOM 834 C SER A 55 6.053 6.717 8.255 1.00 0.00 C ATOM 835 O SER A 55 5.621 7.596 7.511 1.00 0.00 O ATOM 836 CB SER A 55 7.862 8.360 8.831 1.00 0.00 C ATOM 837 OG SER A 55 7.843 8.712 7.451 1.00 0.00 O ATOM 0 HA SER A 55 7.094 6.850 10.132 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.263 9.075 9.395 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.882 8.430 9.209 1.00 0.00 H new ATOM 0 HG SER A 55 6.917 8.732 7.131 1.00 0.00 H new ATOM 843 N TRP A 56 5.487 5.531 8.423 1.00 0.00 N ATOM 844 CA TRP A 56 4.272 5.174 7.712 1.00 0.00 C ATOM 845 C TRP A 56 3.140 6.061 8.235 1.00 0.00 C ATOM 846 O TRP A 56 2.299 6.519 7.464 1.00 0.00 O ATOM 847 CB TRP A 56 3.973 3.680 7.851 1.00 0.00 C ATOM 848 CG TRP A 56 4.875 2.783 6.999 1.00 0.00 C ATOM 849 CD1 TRP A 56 5.794 1.902 7.418 1.00 0.00 C ATOM 850 CD2 TRP A 56 4.906 2.716 5.558 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.413 1.275 6.356 1.00 0.00 N ATOM 852 CE2 TRP A 56 5.856 1.785 5.189 1.00 0.00 C ATOM 853 CE3 TRP A 56 4.156 3.418 4.598 1.00 0.00 C ATOM 854 CZ2 TRP A 56 6.144 1.471 3.856 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.456 3.093 3.270 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.409 2.158 2.882 1.00 0.00 C ATOM 0 H TRP A 56 5.848 4.805 9.042 1.00 0.00 H new ATOM 0 HA TRP A 56 4.386 5.349 6.642 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.078 3.395 8.898 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.934 3.501 7.575 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.021 1.707 8.456 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.145 0.567 6.416 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.408 4.150 4.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.893 0.738 3.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.909 3.605 2.492 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.582 1.962 1.834 1.00 0.00 H new ATOM 867 N SER A 57 3.156 6.276 9.542 1.00 0.00 N ATOM 868 CA SER A 57 2.142 7.099 10.178 1.00 0.00 C ATOM 869 C SER A 57 1.901 8.363 9.351 1.00 0.00 C ATOM 870 O SER A 57 0.788 8.600 8.882 1.00 0.00 O ATOM 871 CB SER A 57 2.548 7.469 11.606 1.00 0.00 C ATOM 872 OG SER A 57 2.137 6.484 12.550 1.00 0.00 O ATOM 0 H SER A 57 3.856 5.894 10.178 1.00 0.00 H new ATOM 0 HA SER A 57 1.218 6.524 10.230 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.630 7.589 11.656 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.108 8.431 11.870 1.00 0.00 H new ATOM 0 HG SER A 57 2.416 6.756 13.449 1.00 0.00 H new ATOM 878 N TYR A 58 2.961 9.143 9.197 1.00 0.00 N ATOM 879 CA TYR A 58 2.878 10.377 8.434 1.00 0.00 C ATOM 880 C TYR A 58 2.481 10.099 6.983 1.00 0.00 C ATOM 881 O TYR A 58 1.543 10.704 6.466 1.00 0.00 O ATOM 882 CB TYR A 58 4.283 10.983 8.459 1.00 0.00 C ATOM 883 CG TYR A 58 4.387 12.340 7.761 1.00 0.00 C ATOM 884 CD1 TYR A 58 4.499 12.402 6.387 1.00 0.00 C ATOM 885 CD2 TYR A 58 4.370 13.502 8.505 1.00 0.00 C ATOM 886 CE1 TYR A 58 4.597 13.680 5.729 1.00 0.00 C ATOM 887 CE2 TYR A 58 4.468 14.780 7.848 1.00 0.00 C ATOM 888 CZ TYR A 58 4.577 14.806 6.492 1.00 0.00 C ATOM 889 OH TYR A 58 4.670 16.012 5.871 1.00 0.00 O ATOM 0 H TYR A 58 3.882 8.944 9.588 1.00 0.00 H new ATOM 0 HA TYR A 58 2.128 11.043 8.861 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.602 11.094 9.496 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.976 10.288 7.985 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.513 11.492 5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.283 13.453 9.580 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.684 13.743 4.654 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.455 15.697 8.419 1.00 0.00 H new ATOM 0 HH TYR A 58 4.641 16.728 6.540 1.00 0.00 H new ATOM 899 N VAL A 59 3.215 9.184 6.367 1.00 0.00 N ATOM 900 CA VAL A 59 2.952 8.819 4.986 1.00 0.00 C ATOM 901 C VAL A 59 1.446 8.629 4.791 1.00 0.00 C ATOM 902 O VAL A 59 0.855 9.212 3.884 1.00 0.00 O ATOM 903 CB VAL A 59 3.765 7.579 4.608 1.00 0.00 C ATOM 904 CG1 VAL A 59 3.298 7.005 3.269 1.00 0.00 C ATOM 905 CG2 VAL A 59 5.262 7.893 4.578 1.00 0.00 C ATOM 0 H VAL A 59 3.992 8.684 6.799 1.00 0.00 H new ATOM 0 HA VAL A 59 3.269 9.616 4.314 1.00 0.00 H new ATOM 0 HB VAL A 59 3.597 6.822 5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.892 6.125 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.247 6.725 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.422 7.755 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.817 6.995 4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.455 8.675 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.582 8.234 5.563 1.00 0.00 H new ATOM 915 N TRP A 60 0.869 7.810 5.659 1.00 0.00 N ATOM 916 CA TRP A 60 -0.557 7.535 5.594 1.00 0.00 C ATOM 917 C TRP A 60 -1.302 8.801 6.022 1.00 0.00 C ATOM 918 O TRP A 60 -2.415 9.055 5.564 1.00 0.00 O ATOM 919 CB TRP A 60 -0.919 6.313 6.440 1.00 0.00 C ATOM 920 CG TRP A 60 -0.278 5.010 5.958 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.541 4.193 6.634 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.439 4.403 4.658 1.00 0.00 C ATOM 923 NE1 TRP A 60 0.919 3.109 5.869 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.304 3.240 4.630 1.00 0.00 C ATOM 925 CE3 TRP A 60 -1.187 4.822 3.544 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.371 2.401 3.511 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -1.109 3.973 2.434 1.00 0.00 C ATOM 928 CH2 TRP A 60 -0.366 2.799 2.389 1.00 0.00 C ATOM 0 H TRP A 60 1.363 7.328 6.410 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.855 7.282 4.577 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.616 6.495 7.471 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.002 6.194 6.442 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.865 4.362 7.650 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.536 2.351 6.160 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.775 5.728 3.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 0.960 1.495 3.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.665 4.249 1.550 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.357 2.197 1.493 1.00 0.00 H new ATOM 939 N ARG A 61 -0.658 9.561 6.896 1.00 0.00 N ATOM 940 CA ARG A 61 -1.247 10.794 7.391 1.00 0.00 C ATOM 941 C ARG A 61 -0.832 11.972 6.507 1.00 0.00 C ATOM 942 O ARG A 61 -0.568 13.065 7.007 1.00 0.00 O ATOM 943 CB ARG A 61 -0.815 11.070 8.833 1.00 0.00 C ATOM 944 CG ARG A 61 -1.827 11.970 9.545 1.00 0.00 C ATOM 945 CD ARG A 61 -1.122 13.111 10.282 1.00 0.00 C ATOM 946 NE ARG A 61 -1.555 14.414 9.729 1.00 0.00 N ATOM 947 CZ ARG A 61 -1.141 15.601 10.192 1.00 0.00 C ATOM 948 NH1 ARG A 61 -0.280 15.657 11.218 1.00 0.00 N ATOM 949 NH2 ARG A 61 -1.587 16.732 9.629 1.00 0.00 N ATOM 0 H ARG A 61 0.265 9.347 7.274 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.331 10.679 7.364 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.716 10.129 9.374 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.166 11.545 8.838 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.529 12.380 8.819 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.409 11.380 10.253 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.351 13.064 11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.042 13.006 10.184 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.209 14.408 8.947 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.060 14.796 11.646 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.035 16.561 11.570 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.242 16.689 8.848 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.272 17.636 9.981 1.00 0.00 H new ATOM 963 N THR A 62 -0.786 11.710 5.209 1.00 0.00 N ATOM 964 CA THR A 62 -0.408 12.735 4.252 1.00 0.00 C ATOM 965 C THR A 62 -1.002 12.426 2.876 1.00 0.00 C ATOM 966 O THR A 62 -1.538 13.313 2.214 1.00 0.00 O ATOM 967 CB THR A 62 1.119 12.836 4.245 1.00 0.00 C ATOM 968 OG1 THR A 62 1.446 13.239 5.572 1.00 0.00 O ATOM 969 CG2 THR A 62 1.627 13.984 3.371 1.00 0.00 C ATOM 0 H THR A 62 -1.004 10.802 4.798 1.00 0.00 H new ATOM 0 HA THR A 62 -0.812 13.707 4.535 1.00 0.00 H new ATOM 0 HB THR A 62 1.543 11.896 3.891 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.655 13.629 6.000 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.716 14.010 3.402 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.297 13.833 2.343 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.231 14.928 3.744 1.00 0.00 H new ATOM 977 N TYR A 63 -0.887 11.164 2.488 1.00 0.00 N ATOM 978 CA TYR A 63 -1.406 10.727 1.203 1.00 0.00 C ATOM 979 C TYR A 63 -2.439 9.611 1.380 1.00 0.00 C ATOM 980 O TYR A 63 -2.360 8.832 2.329 1.00 0.00 O ATOM 981 CB TYR A 63 -0.207 10.177 0.429 1.00 0.00 C ATOM 982 CG TYR A 63 0.830 11.237 0.053 1.00 0.00 C ATOM 983 CD1 TYR A 63 0.712 11.928 -1.136 1.00 0.00 C ATOM 984 CD2 TYR A 63 1.884 11.502 0.903 1.00 0.00 C ATOM 985 CE1 TYR A 63 1.688 12.925 -1.489 1.00 0.00 C ATOM 986 CE2 TYR A 63 2.861 12.500 0.550 1.00 0.00 C ATOM 987 CZ TYR A 63 2.714 13.162 -0.629 1.00 0.00 C ATOM 988 OH TYR A 63 3.636 14.105 -0.962 1.00 0.00 O ATOM 0 H TYR A 63 -0.442 10.431 3.041 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.895 11.553 0.686 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.277 9.406 1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.565 9.695 -0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.113 11.720 -1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.977 10.961 1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.607 13.473 -2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.691 12.717 1.206 1.00 0.00 H new ATOM 0 HH TYR A 63 4.310 14.168 -0.254 1.00 0.00 H new ATOM 998 N HIS A 64 -3.383 9.570 0.452 1.00 0.00 N ATOM 999 CA HIS A 64 -4.430 8.563 0.494 1.00 0.00 C ATOM 1000 C HIS A 64 -4.360 7.697 -0.765 1.00 0.00 C ATOM 1001 O HIS A 64 -3.698 8.060 -1.737 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.801 9.213 0.691 1.00 0.00 C ATOM 1003 CG HIS A 64 -6.043 9.723 2.092 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.379 8.892 3.145 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -5.993 10.988 2.600 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -6.524 9.633 4.234 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -6.285 10.932 3.894 1.00 0.00 N ATOM 0 H HIS A 64 -3.445 10.218 -0.334 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.276 7.909 1.352 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.903 10.042 -0.009 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.575 8.488 0.441 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.495 7.880 3.092 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.756 11.883 2.044 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.785 9.272 5.218 1.00 0.00 H new ATOM 1015 N LEU A 65 -5.051 6.569 -0.708 1.00 0.00 N ATOM 1016 CA LEU A 65 -5.076 5.648 -1.832 1.00 0.00 C ATOM 1017 C LEU A 65 -6.299 5.945 -2.702 1.00 0.00 C ATOM 1018 O LEU A 65 -7.388 6.191 -2.186 1.00 0.00 O ATOM 1019 CB LEU A 65 -5.008 4.201 -1.341 1.00 0.00 C ATOM 1020 CG LEU A 65 -3.794 3.840 -0.482 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -3.762 2.341 -0.179 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.497 4.321 -1.137 1.00 0.00 C ATOM 0 H LEU A 65 -5.598 6.271 0.099 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.196 5.789 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.910 3.990 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.022 3.543 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.885 4.359 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.889 2.112 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.667 2.059 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.707 1.782 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.649 4.052 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.386 3.850 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.530 5.404 -1.258 1.00 0.00 H new ATOM 1034 N THR A 66 -6.078 5.912 -4.008 1.00 0.00 N ATOM 1035 CA THR A 66 -7.148 6.175 -4.955 1.00 0.00 C ATOM 1036 C THR A 66 -7.209 5.069 -6.011 1.00 0.00 C ATOM 1037 O THR A 66 -6.394 4.148 -5.999 1.00 0.00 O ATOM 1038 CB THR A 66 -6.925 7.568 -5.546 1.00 0.00 C ATOM 1039 OG1 THR A 66 -7.916 7.676 -6.565 1.00 0.00 O ATOM 1040 CG2 THR A 66 -5.600 7.678 -6.303 1.00 0.00 C ATOM 0 H THR A 66 -5.173 5.707 -4.433 1.00 0.00 H new ATOM 0 HA THR A 66 -8.121 6.167 -4.464 1.00 0.00 H new ATOM 0 HB THR A 66 -6.949 8.309 -4.747 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.844 8.551 -7.000 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.492 8.687 -6.702 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.774 7.466 -5.624 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.589 6.960 -7.123 1.00 0.00 H new ATOM 1048 N SER A 67 -8.183 5.198 -6.901 1.00 0.00 N ATOM 1049 CA SER A 67 -8.360 4.221 -7.962 1.00 0.00 C ATOM 1050 C SER A 67 -9.622 4.545 -8.765 1.00 0.00 C ATOM 1051 O SER A 67 -10.657 4.882 -8.192 1.00 0.00 O ATOM 1052 CB SER A 67 -8.441 2.802 -7.396 1.00 0.00 C ATOM 1053 OG SER A 67 -9.213 1.939 -8.227 1.00 0.00 O ATOM 0 H SER A 67 -8.857 5.964 -6.909 1.00 0.00 H new ATOM 0 HA SER A 67 -7.494 4.271 -8.622 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.435 2.397 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.880 2.834 -6.399 1.00 0.00 H new ATOM 0 HG SER A 67 -8.655 1.193 -8.532 1.00 0.00 H new ATOM 1059 N ALA A 68 -9.494 4.430 -10.079 1.00 0.00 N ATOM 1060 CA ALA A 68 -10.611 4.707 -10.966 1.00 0.00 C ATOM 1061 C ALA A 68 -10.909 6.207 -10.952 1.00 0.00 C ATOM 1062 O ALA A 68 -10.760 6.883 -11.969 1.00 0.00 O ATOM 1063 CB ALA A 68 -11.819 3.868 -10.543 1.00 0.00 C ATOM 0 H ALA A 68 -8.634 4.149 -10.550 1.00 0.00 H new ATOM 0 HA ALA A 68 -10.365 4.430 -11.991 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.657 4.076 -11.208 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.565 2.810 -10.599 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.097 4.120 -9.520 1.00 0.00 H new ATOM 1069 N GLY A 69 -11.323 6.685 -9.788 1.00 0.00 N ATOM 1070 CA GLY A 69 -11.643 8.093 -9.628 1.00 0.00 C ATOM 1071 C GLY A 69 -12.374 8.343 -8.307 1.00 0.00 C ATOM 1072 O GLY A 69 -13.318 9.129 -8.254 1.00 0.00 O ATOM 0 H GLY A 69 -11.444 6.122 -8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.727 8.683 -9.658 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.264 8.425 -10.460 1.00 0.00 H new ATOM 1076 N GLU A 70 -11.909 7.658 -7.272 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.506 7.796 -5.954 1.00 0.00 C ATOM 1078 C GLU A 70 -11.437 7.647 -4.869 1.00 0.00 C ATOM 1079 O GLU A 70 -10.542 6.810 -4.985 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.635 6.783 -5.755 1.00 0.00 C ATOM 1081 CG GLU A 70 -14.982 7.374 -6.177 1.00 0.00 C ATOM 1082 CD GLU A 70 -15.869 7.638 -4.959 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -15.673 8.703 -4.335 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -16.724 6.770 -4.680 1.00 0.00 O ATOM 0 H GLU A 70 -11.126 7.006 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.939 8.793 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.429 5.885 -6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.678 6.482 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.821 8.304 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.487 6.689 -6.858 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.566 8.470 -3.839 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.623 8.440 -2.734 1.00 0.00 C ATOM 1093 C LYS A 71 -10.965 7.270 -1.810 1.00 0.00 C ATOM 1094 O LYS A 71 -12.053 7.223 -1.238 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.586 9.794 -2.024 1.00 0.00 C ATOM 1096 CG LYS A 71 -10.454 10.938 -3.032 1.00 0.00 C ATOM 1097 CD LYS A 71 -10.041 12.237 -2.337 1.00 0.00 C ATOM 1098 CE LYS A 71 -8.921 12.939 -3.106 1.00 0.00 C ATOM 1099 NZ LYS A 71 -9.063 14.409 -3.002 1.00 0.00 N ATOM 0 H LYS A 71 -12.310 9.162 -3.746 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.611 8.272 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.494 9.925 -1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.749 9.820 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.715 10.676 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.403 11.084 -3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.902 12.900 -2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.709 12.021 -1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.953 12.632 -2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.947 12.638 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.295 14.870 -3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.979 14.698 -3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.015 14.693 -2.003 1.00 0.00 H new ATOM 1113 N LEU A 72 -10.015 6.354 -1.691 1.00 0.00 N ATOM 1114 CA LEU A 72 -10.202 5.187 -0.845 1.00 0.00 C ATOM 1115 C LEU A 72 -9.726 5.509 0.573 1.00 0.00 C ATOM 1116 O LEU A 72 -8.591 5.203 0.935 1.00 0.00 O ATOM 1117 CB LEU A 72 -9.518 3.964 -1.460 1.00 0.00 C ATOM 1118 CG LEU A 72 -9.599 3.847 -2.984 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -8.431 3.025 -3.532 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.952 3.281 -3.419 1.00 0.00 C ATOM 0 H LEU A 72 -9.113 6.396 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.259 4.932 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.467 3.977 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.958 3.068 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.517 4.847 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.512 2.957 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.490 3.508 -3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.458 2.024 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.983 3.208 -4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.089 2.291 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.749 3.940 -3.076 1.00 0.00 H new ATOM 1132 N THR A 73 -10.618 6.122 1.337 1.00 0.00 N ATOM 1133 CA THR A 73 -10.303 6.489 2.708 1.00 0.00 C ATOM 1134 C THR A 73 -10.989 5.534 3.686 1.00 0.00 C ATOM 1135 O THR A 73 -10.415 5.173 4.712 1.00 0.00 O ATOM 1136 CB THR A 73 -10.700 7.953 2.908 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.097 7.976 2.629 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.093 8.875 1.848 1.00 0.00 C ATOM 0 H THR A 73 -11.559 6.374 1.033 1.00 0.00 H new ATOM 0 HA THR A 73 -9.235 6.397 2.908 1.00 0.00 H new ATOM 0 HB THR A 73 -10.385 8.282 3.898 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.437 8.889 2.737 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.406 9.902 2.036 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.006 8.814 1.892 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.434 8.567 0.860 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.208 5.152 3.334 1.00 0.00 N ATOM 1147 CA GLU A 74 -12.979 4.246 4.169 1.00 0.00 C ATOM 1148 C GLU A 74 -12.213 2.938 4.379 1.00 0.00 C ATOM 1149 O GLU A 74 -11.730 2.337 3.421 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.359 3.982 3.563 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.457 4.655 4.388 1.00 0.00 C ATOM 1152 CD GLU A 74 -16.228 5.675 3.547 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -15.781 6.842 3.520 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -17.247 5.264 2.950 1.00 0.00 O ATOM 0 H GLU A 74 -12.681 5.453 2.482 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.130 4.717 5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.388 4.355 2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.540 2.908 3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.144 3.900 4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.015 5.151 5.252 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.128 2.535 5.638 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.430 1.310 5.987 1.00 0.00 C ATOM 1163 C ASP A 75 -12.442 0.170 6.113 1.00 0.00 C ATOM 1164 O ASP A 75 -12.168 -0.957 5.704 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.706 1.450 7.327 1.00 0.00 C ATOM 1166 CG ASP A 75 -10.454 2.890 7.778 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -9.813 3.626 6.997 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -10.907 3.223 8.895 1.00 0.00 O ATOM 0 H ASP A 75 -12.531 3.036 6.430 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.701 1.103 5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.291 0.942 8.094 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.749 0.933 7.262 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.592 0.502 6.683 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.646 -0.480 6.868 1.00 0.00 C ATOM 1175 C ARG A 76 -15.192 -0.936 5.513 1.00 0.00 C ATOM 1176 O ARG A 76 -15.846 -1.973 5.421 1.00 0.00 O ATOM 1177 CB ARG A 76 -15.792 0.094 7.704 1.00 0.00 C ATOM 1178 CG ARG A 76 -15.581 -0.191 9.193 1.00 0.00 C ATOM 1179 CD ARG A 76 -15.795 -1.674 9.502 1.00 0.00 C ATOM 1180 NE ARG A 76 -16.121 -1.850 10.935 1.00 0.00 N ATOM 1181 CZ ARG A 76 -17.314 -1.566 11.475 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -18.302 -1.091 10.704 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -17.519 -1.757 12.785 1.00 0.00 N ATOM 0 H ARG A 76 -13.816 1.437 7.022 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.216 -1.332 7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.862 1.170 7.542 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.737 -0.339 7.378 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.573 0.103 9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.272 0.411 9.784 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.602 -2.070 8.886 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -14.897 -2.239 9.253 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.392 -2.210 11.550 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.146 -0.946 9.707 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.210 -0.875 11.115 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.767 -2.119 13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -18.427 -1.541 13.196 1.00 0.00 H new ATOM 1197 N LYS A 77 -14.901 -0.139 4.496 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.354 -0.447 3.150 1.00 0.00 C ATOM 1199 C LYS A 77 -14.345 -1.381 2.479 1.00 0.00 C ATOM 1200 O LYS A 77 -13.138 -1.230 2.660 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.619 0.839 2.365 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.200 0.529 0.984 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.130 1.650 0.517 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.317 1.087 -0.267 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.428 2.065 -0.300 1.00 0.00 N ATOM 0 H LYS A 77 -14.357 0.720 4.577 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.307 -0.975 3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.311 1.472 2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.691 1.400 2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.391 0.400 0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.748 -0.412 1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.492 2.210 1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.576 2.350 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.007 0.846 -1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.656 0.158 0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.225 1.667 -0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.734 2.275 0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.106 2.941 -0.759 1.00 0.00 H new ATOM 1219 N LYS A 78 -14.877 -2.326 1.717 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.038 -3.284 1.017 1.00 0.00 C ATOM 1221 C LYS A 78 -13.649 -2.713 -0.348 1.00 0.00 C ATOM 1222 O LYS A 78 -14.387 -1.915 -0.924 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.730 -4.646 0.941 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.163 -5.120 2.329 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.645 -5.498 2.342 1.00 0.00 C ATOM 1226 CE LYS A 78 -16.906 -6.663 3.299 1.00 0.00 C ATOM 1227 NZ LYS A 78 -16.771 -7.956 2.590 1.00 0.00 N ATOM 0 H LYS A 78 -15.879 -2.448 1.569 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.112 -3.454 1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.600 -4.580 0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.054 -5.377 0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.562 -5.979 2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.978 -4.333 3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.241 -4.636 2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.963 -5.771 1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.203 -6.623 4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -17.907 -6.576 3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.951 -8.736 3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -17.459 -7.998 1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.808 -8.043 2.207 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.492 -3.145 -0.827 1.00 0.00 N ATOM 1242 CA LEU A 79 -11.996 -2.687 -2.113 1.00 0.00 C ATOM 1243 C LEU A 79 -12.943 -3.163 -3.218 1.00 0.00 C ATOM 1244 O LEU A 79 -13.213 -2.429 -4.167 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.545 -3.126 -2.316 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.597 -2.872 -1.142 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.189 -3.382 -1.454 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.597 -1.394 -0.748 1.00 0.00 C ATOM 0 H LEU A 79 -11.883 -3.808 -0.347 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.983 -1.598 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.537 -4.193 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.150 -2.613 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.960 -3.435 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.535 -3.189 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.225 -4.454 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.802 -2.867 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.915 -1.240 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.272 -0.791 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.604 -1.096 -0.455 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.420 -4.388 -3.057 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.330 -4.971 -4.028 1.00 0.00 C ATOM 1262 C ARG A 80 -15.612 -4.140 -4.119 1.00 0.00 C ATOM 1263 O ARG A 80 -16.365 -4.258 -5.084 1.00 0.00 O ATOM 1264 CB ARG A 80 -14.689 -6.410 -3.653 1.00 0.00 C ATOM 1265 CG ARG A 80 -14.966 -6.533 -2.153 1.00 0.00 C ATOM 1266 CD ARG A 80 -16.084 -7.542 -1.883 1.00 0.00 C ATOM 1267 NE ARG A 80 -17.376 -6.837 -1.732 1.00 0.00 N ATOM 1268 CZ ARG A 80 -18.572 -7.434 -1.819 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -18.648 -8.750 -2.058 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -19.693 -6.715 -1.669 1.00 0.00 N ATOM 0 H ARG A 80 -13.193 -4.993 -2.268 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.825 -4.975 -4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -15.567 -6.728 -4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.873 -7.077 -3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.058 -6.844 -1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.245 -5.559 -1.750 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.145 -8.258 -2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.862 -8.110 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.355 -5.834 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -17.795 -9.297 -2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.559 -9.205 -2.124 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -19.636 -5.713 -1.489 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -20.603 -7.170 -1.735 1.00 0.00 H new ATOM 1284 N ASP A 81 -15.820 -3.317 -3.101 1.00 0.00 N ATOM 1285 CA ASP A 81 -16.997 -2.467 -3.054 1.00 0.00 C ATOM 1286 C ASP A 81 -16.682 -1.130 -3.728 1.00 0.00 C ATOM 1287 O ASP A 81 -17.582 -0.330 -3.978 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.414 -2.183 -1.610 1.00 0.00 C ATOM 1289 CG ASP A 81 -18.863 -2.537 -1.273 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -19.366 -3.508 -1.879 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -19.437 -1.828 -0.418 1.00 0.00 O ATOM 0 H ASP A 81 -15.193 -3.221 -2.302 1.00 0.00 H new ATOM 0 HA ASP A 81 -17.808 -2.984 -3.568 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.756 -2.738 -0.942 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.257 -1.124 -1.404 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.402 -0.929 -4.003 1.00 0.00 N ATOM 1297 CA TYR A 82 -14.957 0.297 -4.643 1.00 0.00 C ATOM 1298 C TYR A 82 -14.704 0.077 -6.135 1.00 0.00 C ATOM 1299 O TYR A 82 -14.351 1.011 -6.853 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.638 0.673 -3.964 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.753 1.845 -2.987 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -13.903 3.130 -3.466 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.706 1.616 -1.627 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -14.011 4.233 -2.546 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.814 2.719 -0.707 1.00 0.00 C ATOM 1306 CZ TYR A 82 -13.961 3.973 -1.212 1.00 0.00 C ATOM 1307 OH TYR A 82 -14.063 5.015 -0.344 1.00 0.00 O ATOM 0 H TYR A 82 -14.658 -1.595 -3.794 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.714 1.076 -4.547 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.256 -0.196 -3.429 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.905 0.923 -4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.939 3.309 -4.530 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.588 0.610 -1.252 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.129 5.244 -2.907 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.779 2.554 0.360 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.437 5.722 -0.607 1.00 0.00 H new ATOM 1317 N GLY A 83 -14.895 -1.165 -6.558 1.00 0.00 N ATOM 1318 CA GLY A 83 -14.692 -1.520 -7.952 1.00 0.00 C ATOM 1319 C GLY A 83 -13.337 -2.203 -8.152 1.00 0.00 C ATOM 1320 O GLY A 83 -13.061 -2.740 -9.224 1.00 0.00 O ATOM 0 H GLY A 83 -15.188 -1.937 -5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.491 -2.185 -8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.747 -0.624 -8.571 1.00 0.00 H new ATOM 1324 N ILE A 84 -12.528 -2.161 -7.103 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.210 -2.769 -7.150 1.00 0.00 C ATOM 1326 C ILE A 84 -11.341 -4.279 -6.939 1.00 0.00 C ATOM 1327 O ILE A 84 -11.770 -4.725 -5.876 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.270 -2.088 -6.153 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.268 -0.570 -6.350 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -8.861 -2.678 -6.237 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -9.567 0.132 -5.186 1.00 0.00 C ATOM 0 H ILE A 84 -12.761 -1.715 -6.216 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.758 -2.622 -8.131 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.641 -2.282 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.766 -0.322 -7.285 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.293 -0.209 -6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.213 -2.176 -5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.899 -3.743 -6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.466 -2.535 -7.243 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.579 1.209 -5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.086 -0.099 -4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.535 -0.213 -5.121 1.00 0.00 H new ATOM 1343 N ARG A 85 -10.964 -5.023 -7.968 1.00 0.00 N ATOM 1344 CA ARG A 85 -11.034 -6.473 -7.908 1.00 0.00 C ATOM 1345 C ARG A 85 -9.637 -7.079 -8.056 1.00 0.00 C ATOM 1346 O ARG A 85 -8.644 -6.354 -8.104 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.942 -7.026 -9.008 1.00 0.00 C ATOM 1348 CG ARG A 85 -13.392 -6.587 -8.795 1.00 0.00 C ATOM 1349 CD ARG A 85 -14.024 -7.335 -7.619 1.00 0.00 C ATOM 1350 NE ARG A 85 -14.576 -8.628 -8.080 1.00 0.00 N ATOM 1351 CZ ARG A 85 -15.724 -8.756 -8.759 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -16.449 -7.669 -9.060 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -16.148 -9.970 -9.137 1.00 0.00 N ATOM 0 H ARG A 85 -10.609 -4.649 -8.848 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.450 -6.745 -6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.593 -6.680 -9.981 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.886 -8.114 -9.018 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.427 -5.514 -8.609 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.969 -6.773 -9.701 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.278 -7.505 -6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.815 -6.730 -7.175 1.00 0.00 H new ATOM 0 HE ARG A 85 -14.049 -9.475 -7.868 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.127 -6.745 -8.772 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -17.323 -7.766 -9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -15.597 -10.797 -8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -17.022 -10.067 -9.654 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.604 -8.402 -8.125 1.00 0.00 N ATOM 1368 CA ASN A 86 -8.345 -9.113 -8.267 1.00 0.00 C ATOM 1369 C ASN A 86 -7.600 -8.582 -9.493 1.00 0.00 C ATOM 1370 O ASN A 86 -8.203 -8.358 -10.541 1.00 0.00 O ATOM 1371 CB ASN A 86 -8.579 -10.612 -8.467 1.00 0.00 C ATOM 1372 CG ASN A 86 -7.342 -11.284 -9.066 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -6.345 -11.512 -8.401 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -7.462 -11.587 -10.355 1.00 0.00 N ATOM 0 H ASN A 86 -10.429 -9.000 -8.085 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.765 -8.957 -7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.823 -11.076 -7.512 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.435 -10.766 -9.124 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.691 -12.038 -10.847 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.325 -11.368 -10.852 1.00 0.00 H new ATOM 1381 N ARG A 87 -6.299 -8.398 -9.321 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.466 -7.898 -10.401 1.00 0.00 C ATOM 1383 C ARG A 87 -5.915 -6.494 -10.812 1.00 0.00 C ATOM 1384 O ARG A 87 -6.297 -6.273 -11.960 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.527 -8.823 -11.618 1.00 0.00 C ATOM 1386 CG ARG A 87 -4.155 -8.944 -12.284 1.00 0.00 C ATOM 1387 CD ARG A 87 -4.103 -8.138 -13.583 1.00 0.00 C ATOM 1388 NE ARG A 87 -2.749 -8.217 -14.175 1.00 0.00 N ATOM 1389 CZ ARG A 87 -2.420 -7.708 -15.370 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -3.345 -7.080 -16.108 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -1.166 -7.828 -15.827 1.00 0.00 N ATOM 0 H ARG A 87 -5.802 -8.586 -8.450 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.439 -7.862 -10.038 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.875 -9.810 -11.312 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.251 -8.438 -12.336 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.383 -8.590 -11.601 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.939 -9.992 -12.493 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.840 -8.522 -14.288 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.362 -7.098 -13.386 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.020 -8.689 -13.640 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.300 -6.989 -15.760 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.095 -6.692 -17.018 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.462 -8.307 -15.265 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.915 -7.441 -16.737 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.853 -5.583 -9.852 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.249 -4.207 -10.101 1.00 0.00 C ATOM 1407 C ASP A 88 -5.041 -3.289 -9.900 1.00 0.00 C ATOM 1408 O ASP A 88 -3.935 -3.761 -9.639 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.345 -3.765 -9.129 1.00 0.00 C ATOM 1410 CG ASP A 88 -8.727 -3.576 -9.756 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -9.398 -4.608 -9.974 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -9.082 -2.403 -10.003 1.00 0.00 O ATOM 0 H ASP A 88 -5.535 -5.770 -8.901 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.625 -4.144 -11.122 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.422 -4.504 -8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.042 -2.826 -8.665 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.294 -1.995 -10.029 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.241 -1.007 -9.865 1.00 0.00 C ATOM 1419 C GLU A 89 -4.737 0.160 -9.009 1.00 0.00 C ATOM 1420 O GLU A 89 -5.880 0.592 -9.145 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.734 -0.516 -11.222 1.00 0.00 C ATOM 1422 CG GLU A 89 -2.878 0.743 -11.065 1.00 0.00 C ATOM 1423 CD GLU A 89 -2.464 1.298 -12.429 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -1.574 0.676 -13.049 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -3.046 2.332 -12.821 1.00 0.00 O ATOM 0 H GLU A 89 -6.213 -1.608 -10.245 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.404 -1.479 -9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.148 -1.301 -11.701 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.580 -0.305 -11.876 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.436 1.500 -10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.989 0.512 -10.477 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.852 0.638 -8.146 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.185 1.746 -7.269 1.00 0.00 C ATOM 1434 C VAL A 90 -3.041 2.762 -7.279 1.00 0.00 C ATOM 1435 O VAL A 90 -1.888 2.400 -7.511 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.510 1.225 -5.867 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.140 2.257 -4.800 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -5.982 0.826 -5.758 1.00 0.00 C ATOM 0 H VAL A 90 -2.904 0.277 -8.036 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.078 2.259 -7.626 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.908 0.333 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.381 1.862 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.072 2.470 -4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.703 3.175 -4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.186 0.459 -4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.610 1.693 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.201 0.041 -6.482 1.00 0.00 H new ATOM 1448 N SER A 91 -3.399 4.012 -7.025 1.00 0.00 N ATOM 1449 CA SER A 91 -2.416 5.082 -7.002 1.00 0.00 C ATOM 1450 C SER A 91 -2.484 5.826 -5.667 1.00 0.00 C ATOM 1451 O SER A 91 -3.423 5.639 -4.895 1.00 0.00 O ATOM 1452 CB SER A 91 -2.633 6.054 -8.164 1.00 0.00 C ATOM 1453 OG SER A 91 -3.951 5.963 -8.697 1.00 0.00 O ATOM 0 H SER A 91 -4.356 4.308 -6.833 1.00 0.00 H new ATOM 0 HA SER A 91 -1.426 4.640 -7.114 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.449 7.073 -7.823 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.908 5.846 -8.951 1.00 0.00 H new ATOM 0 HG SER A 91 -4.050 6.600 -9.435 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.476 6.656 -5.437 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.410 7.429 -4.209 1.00 0.00 C ATOM 1461 C PHE A 92 -1.774 8.894 -4.463 1.00 0.00 C ATOM 1462 O PHE A 92 -1.313 9.492 -5.434 1.00 0.00 O ATOM 1463 CB PHE A 92 0.034 7.354 -3.710 1.00 0.00 C ATOM 1464 CG PHE A 92 0.278 6.257 -2.672 1.00 0.00 C ATOM 1465 CD1 PHE A 92 0.633 5.007 -3.074 1.00 0.00 C ATOM 1466 CD2 PHE A 92 0.140 6.532 -1.347 1.00 0.00 C ATOM 1467 CE1 PHE A 92 0.859 3.989 -2.110 1.00 0.00 C ATOM 1468 CE2 PHE A 92 0.367 5.514 -0.384 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.721 4.264 -0.785 1.00 0.00 C ATOM 0 H PHE A 92 -0.699 6.809 -6.080 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.114 7.029 -3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.694 7.187 -4.562 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.309 8.316 -3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.743 4.789 -4.126 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.142 7.524 -1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.140 2.996 -2.429 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.258 5.733 0.668 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.893 3.490 -0.052 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.597 9.429 -3.573 1.00 0.00 N ATOM 1480 CA ILE A 93 -3.028 10.811 -3.689 1.00 0.00 C ATOM 1481 C ILE A 93 -2.580 11.586 -2.449 1.00 0.00 C ATOM 1482 O ILE A 93 -2.164 10.990 -1.456 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.534 10.883 -3.948 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -4.917 12.219 -4.589 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.325 10.616 -2.666 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -5.836 12.005 -5.795 1.00 0.00 C ATOM 0 H ILE A 93 -2.977 8.930 -2.769 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.557 11.286 -4.550 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.796 10.098 -4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.417 12.849 -3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.017 12.748 -4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.393 10.673 -2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.083 9.622 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.064 11.362 -1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.093 12.970 -6.232 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.324 11.395 -6.539 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.746 11.498 -5.474 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.679 12.904 -2.545 1.00 0.00 N ATOM 1499 CA LYS A 94 -2.289 13.767 -1.443 1.00 0.00 C ATOM 1500 C LYS A 94 -3.527 14.483 -0.899 1.00 0.00 C ATOM 1501 O LYS A 94 -4.471 14.749 -1.642 1.00 0.00 O ATOM 1502 CB LYS A 94 -1.169 14.715 -1.876 1.00 0.00 C ATOM 1503 CG LYS A 94 -0.736 15.617 -0.718 1.00 0.00 C ATOM 1504 CD LYS A 94 0.119 16.782 -1.219 1.00 0.00 C ATOM 1505 CE LYS A 94 1.597 16.555 -0.898 1.00 0.00 C ATOM 1506 NZ LYS A 94 2.441 17.530 -1.625 1.00 0.00 N ATOM 0 H LYS A 94 -3.024 13.395 -3.370 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.877 13.178 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.315 14.137 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.509 15.327 -2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.617 16.003 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.172 15.034 0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.010 16.896 -2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.219 17.710 -0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.761 16.652 0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.883 15.540 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.441 17.362 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.297 17.418 -2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.178 18.496 -1.342 1.00 0.00 H new ATOM 1520 N LYS A 95 -3.482 14.776 0.392 1.00 0.00 N ATOM 1521 CA LYS A 95 -4.588 15.457 1.044 1.00 0.00 C ATOM 1522 C LYS A 95 -4.856 16.783 0.331 1.00 0.00 C ATOM 1523 O LYS A 95 -4.030 17.249 -0.453 1.00 0.00 O ATOM 1524 CB LYS A 95 -4.316 15.608 2.542 1.00 0.00 C ATOM 1525 CG LYS A 95 -4.265 14.242 3.231 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.080 14.250 4.525 1.00 0.00 C ATOM 1527 CE LYS A 95 -4.486 13.286 5.553 1.00 0.00 C ATOM 1528 NZ LYS A 95 -5.179 13.423 6.854 1.00 0.00 N ATOM 0 H LYS A 95 -2.697 14.554 1.004 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.499 14.864 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.371 16.131 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.095 16.220 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.652 13.477 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.230 13.980 3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.103 15.258 4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.111 13.969 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.575 12.261 5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.422 13.488 5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.763 12.761 7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.072 14.397 7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.189 13.207 6.734 1.00 0.00 H new