USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 THR OG1 : rot 133:sc= -0.4 USER MOD Set 1.2: A 40 THR OG1 : rot 170:sc= 0 USER MOD Set 2.1: A 32 MET CE :methyl 179:sc= 0 (180deg=0) USER MOD Set 2.2: A 97 ASN : amide:sc= 1.24 K(o=1.2,f=-0.019) USER MOD Set 3.1: A 11 CYS SG : rot 173:sc= -2.54! USER MOD Set 3.2: A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= 0.768 (180deg=0.722) USER MOD Single : A 17 HIS : no HD1:sc= -0.0577 X(o=-0.058,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -2.11! USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -117:sc= -3.62! (180deg=-5.2!) USER MOD Single : A 23 GLN : amide:sc= -0.207 K(o=-0.21,f=-3.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -0.0515 (180deg=-0.253) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= 0.523 (180deg=0.118) USER MOD Single : A 34 ASN : amide:sc= -0.536 K(o=-0.54,f=-6.5!) USER MOD Single : A 37 LYS NZ :NH3+ -109:sc= 1.13 (180deg=-0.563!) USER MOD Single : A 41 GLN : amide:sc= -0.876! C(o=-0.88!,f=-6.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.58 K(o=0.58,f=-4.3!) USER MOD Single : A 51 THR OG1 : rot -24:sc= 1.21 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.475 K(o=0.48,f=-0.18) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.19! C(o=-1.2!,f=-1.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 131:sc= 1.2 (180deg=0.34) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 174:sc= 0.532 (180deg=0.478) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= 0.909 (180deg=0.533) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -14.462 1.738 -6.981 1.00 0.00 N ATOM 21 CA LYS A 2 -13.058 1.930 -7.305 1.00 0.00 C ATOM 22 C LYS A 2 -12.371 2.765 -6.238 1.00 0.00 C ATOM 23 O LYS A 2 -12.259 3.988 -6.363 1.00 0.00 O ATOM 24 CB LYS A 2 -12.886 2.597 -8.671 1.00 0.00 C ATOM 25 CG LYS A 2 -13.258 1.701 -9.838 1.00 0.00 C ATOM 26 CD LYS A 2 -12.957 2.374 -11.165 1.00 0.00 C ATOM 27 CE LYS A 2 -13.195 1.431 -12.332 1.00 0.00 C ATOM 28 NZ LYS A 2 -12.856 2.066 -13.630 1.00 0.00 N ATOM 0 HA LYS A 2 -12.595 0.944 -7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.499 3.497 -8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.849 2.913 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.707 0.763 -9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.318 1.452 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.584 3.259 -11.276 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.921 2.714 -11.175 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.595 0.530 -12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.240 1.120 -12.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.031 1.392 -14.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.446 2.911 -13.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.853 2.340 -13.631 1.00 0.00 H new ATOM 42 N ARG A 3 -11.941 2.108 -5.175 1.00 0.00 N ATOM 43 CA ARG A 3 -11.206 2.783 -4.127 1.00 0.00 C ATOM 44 C ARG A 3 -9.771 2.999 -4.576 1.00 0.00 C ATOM 45 O ARG A 3 -9.074 2.052 -4.946 1.00 0.00 O ATOM 46 CB ARG A 3 -11.248 1.972 -2.831 1.00 0.00 C ATOM 47 CG ARG A 3 -10.674 2.708 -1.633 1.00 0.00 C ATOM 48 CD ARG A 3 -11.476 3.958 -1.314 1.00 0.00 C ATOM 49 NE ARG A 3 -12.862 3.652 -0.962 1.00 0.00 N ATOM 50 CZ ARG A 3 -13.791 4.571 -0.710 1.00 0.00 C ATOM 51 NH1 ARG A 3 -13.506 5.861 -0.821 1.00 0.00 N ATOM 52 NH2 ARG A 3 -15.016 4.199 -0.364 1.00 0.00 N ATOM 0 H ARG A 3 -12.089 1.111 -5.018 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.669 3.750 -3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.281 1.698 -2.617 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.695 1.044 -2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.668 2.047 -0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.638 2.980 -1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.003 4.490 -0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.461 4.626 -2.175 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.134 2.671 -0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.570 6.154 -1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.223 6.560 -0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.247 3.208 -0.291 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.728 4.904 -0.171 1.00 0.00 H new ATOM 66 N LYS A 4 -9.351 4.249 -4.577 1.00 0.00 N ATOM 67 CA LYS A 4 -7.996 4.604 -4.963 1.00 0.00 C ATOM 68 C LYS A 4 -7.074 4.478 -3.764 1.00 0.00 C ATOM 69 O LYS A 4 -7.237 5.170 -2.758 1.00 0.00 O ATOM 70 CB LYS A 4 -7.938 6.010 -5.585 1.00 0.00 C ATOM 71 CG LYS A 4 -8.773 7.069 -4.872 1.00 0.00 C ATOM 72 CD LYS A 4 -10.262 6.935 -5.170 1.00 0.00 C ATOM 73 CE LYS A 4 -10.564 7.067 -6.656 1.00 0.00 C ATOM 74 NZ LYS A 4 -12.008 6.855 -6.950 1.00 0.00 N ATOM 0 H LYS A 4 -9.933 5.043 -4.313 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.656 3.911 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.899 6.340 -5.602 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.269 5.946 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.612 6.991 -3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.433 8.060 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.617 5.968 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.811 7.699 -4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.265 8.057 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.970 6.342 -7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.203 7.118 -7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.249 5.854 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.582 7.445 -6.315 1.00 0.00 H new ATOM 88 N ILE A 5 -6.126 3.562 -3.869 1.00 0.00 N ATOM 89 CA ILE A 5 -5.281 3.205 -2.744 1.00 0.00 C ATOM 90 C ILE A 5 -3.807 3.324 -3.105 1.00 0.00 C ATOM 91 O ILE A 5 -3.377 2.851 -4.158 1.00 0.00 O ATOM 92 CB ILE A 5 -5.567 1.757 -2.287 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.071 1.557 -2.076 1.00 0.00 C ATOM 94 CG2 ILE A 5 -4.794 1.436 -1.011 1.00 0.00 C ATOM 95 CD1 ILE A 5 -7.454 0.143 -1.697 1.00 0.00 C ATOM 0 H ILE A 5 -5.922 3.050 -4.727 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.508 3.898 -1.934 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.234 1.072 -3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.412 2.237 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.596 1.833 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.008 0.412 -0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.725 1.544 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.096 2.123 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.534 0.082 -1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.145 -0.542 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.959 -0.131 -0.766 1.00 0.00 H new ATOM 107 N ILE A 6 -3.042 3.962 -2.234 1.00 0.00 N ATOM 108 CA ILE A 6 -1.599 3.984 -2.374 1.00 0.00 C ATOM 109 C ILE A 6 -0.982 3.074 -1.323 1.00 0.00 C ATOM 110 O ILE A 6 -1.269 3.195 -0.131 1.00 0.00 O ATOM 111 CB ILE A 6 -0.985 5.410 -2.280 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.266 6.085 -0.925 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.495 6.273 -3.424 1.00 0.00 C ATOM 114 CD1 ILE A 6 -2.666 6.638 -0.771 1.00 0.00 C ATOM 0 H ILE A 6 -3.398 4.470 -1.424 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.369 3.625 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 6 0.097 5.305 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.087 5.361 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.552 6.897 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.060 7.270 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.210 5.822 -4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.581 6.346 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.771 7.094 0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.847 7.389 -1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.390 5.830 -0.876 1.00 0.00 H new ATOM 126 N ALA A 7 -0.170 2.135 -1.768 1.00 0.00 N ATOM 127 CA ALA A 7 0.406 1.153 -0.869 1.00 0.00 C ATOM 128 C ALA A 7 1.901 1.036 -1.086 1.00 0.00 C ATOM 129 O ALA A 7 2.358 0.846 -2.209 1.00 0.00 O ATOM 130 CB ALA A 7 -0.267 -0.197 -1.065 1.00 0.00 C ATOM 0 H ALA A 7 0.106 2.031 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 7 0.237 1.484 0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.174 -0.926 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.333 -0.106 -0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.125 -0.529 -2.094 1.00 0.00 H new ATOM 136 N VAL A 8 2.661 1.154 -0.015 1.00 0.00 N ATOM 137 CA VAL A 8 4.103 1.039 -0.104 1.00 0.00 C ATOM 138 C VAL A 8 4.580 -0.238 0.569 1.00 0.00 C ATOM 139 O VAL A 8 4.313 -0.475 1.748 1.00 0.00 O ATOM 140 CB VAL A 8 4.825 2.250 0.527 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.334 2.102 0.399 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.364 3.549 -0.117 1.00 0.00 C ATOM 0 H VAL A 8 2.305 1.329 0.925 1.00 0.00 H new ATOM 0 HA VAL A 8 4.352 1.012 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 8 4.569 2.282 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.824 2.965 0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.655 1.195 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.605 2.040 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.886 4.388 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.586 3.525 -1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.290 3.666 0.028 1.00 0.00 H new ATOM 152 N THR A 9 5.261 -1.061 -0.203 1.00 0.00 N ATOM 153 CA THR A 9 5.870 -2.274 0.300 1.00 0.00 C ATOM 154 C THR A 9 7.375 -2.076 0.419 1.00 0.00 C ATOM 155 O THR A 9 8.040 -1.762 -0.569 1.00 0.00 O ATOM 156 CB THR A 9 5.573 -3.472 -0.627 1.00 0.00 C ATOM 157 OG1 THR A 9 5.825 -3.118 -1.998 1.00 0.00 O ATOM 158 CG2 THR A 9 4.130 -3.925 -0.476 1.00 0.00 C ATOM 0 H THR A 9 5.408 -0.906 -1.200 1.00 0.00 H new ATOM 0 HA THR A 9 5.447 -2.490 1.281 1.00 0.00 H new ATOM 0 HB THR A 9 6.232 -4.292 -0.340 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.347 -3.827 -2.428 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.943 -4.770 -1.138 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.949 -4.226 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.462 -3.104 -0.737 1.00 0.00 H new ATOM 166 N ALA A 10 7.906 -2.236 1.621 1.00 0.00 N ATOM 167 CA ALA A 10 9.327 -2.007 1.855 1.00 0.00 C ATOM 168 C ALA A 10 9.828 -2.828 3.035 1.00 0.00 C ATOM 169 O ALA A 10 9.631 -2.451 4.185 1.00 0.00 O ATOM 170 CB ALA A 10 9.587 -0.524 2.089 1.00 0.00 C ATOM 0 H ALA A 10 7.380 -2.522 2.447 1.00 0.00 H new ATOM 0 HA ALA A 10 9.875 -2.327 0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.651 -0.364 2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.273 0.043 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.023 -0.189 2.959 1.00 0.00 H new ATOM 176 N CYS A 11 10.465 -3.951 2.748 1.00 0.00 N ATOM 177 CA CYS A 11 10.964 -4.833 3.793 1.00 0.00 C ATOM 178 C CYS A 11 12.486 -4.931 3.735 1.00 0.00 C ATOM 179 O CYS A 11 13.076 -4.921 2.653 1.00 0.00 O ATOM 180 CB CYS A 11 10.333 -6.223 3.647 1.00 0.00 C ATOM 181 SG CYS A 11 10.880 -7.436 4.873 1.00 0.00 S ATOM 0 H CYS A 11 10.650 -4.275 1.799 1.00 0.00 H new ATOM 0 HA CYS A 11 10.687 -4.418 4.762 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.250 -6.124 3.713 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.558 -6.606 2.652 1.00 0.00 H new ATOM 0 HG CYS A 11 10.177 -8.523 4.751 1.00 0.00 H new ATOM 187 N ALA A 12 13.121 -5.005 4.899 1.00 0.00 N ATOM 188 CA ALA A 12 14.568 -5.158 4.970 1.00 0.00 C ATOM 189 C ALA A 12 14.929 -6.602 5.290 1.00 0.00 C ATOM 190 O ALA A 12 16.077 -7.019 5.143 1.00 0.00 O ATOM 191 CB ALA A 12 15.153 -4.215 6.008 1.00 0.00 C ATOM 0 H ALA A 12 12.656 -4.961 5.806 1.00 0.00 H new ATOM 0 HA ALA A 12 14.994 -4.902 4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.235 -4.343 6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.919 -3.185 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 12 14.725 -4.439 6.985 1.00 0.00 H new ATOM 197 N THR A 13 13.930 -7.356 5.726 1.00 0.00 N ATOM 198 CA THR A 13 14.108 -8.764 6.037 1.00 0.00 C ATOM 199 C THR A 13 14.375 -9.558 4.762 1.00 0.00 C ATOM 200 O THR A 13 15.417 -10.199 4.621 1.00 0.00 O ATOM 201 CB THR A 13 12.856 -9.335 6.731 1.00 0.00 C ATOM 202 OG1 THR A 13 12.413 -8.449 7.771 1.00 0.00 O ATOM 203 CG2 THR A 13 13.136 -10.711 7.322 1.00 0.00 C ATOM 0 H THR A 13 12.981 -7.011 5.873 1.00 0.00 H new ATOM 0 HA THR A 13 14.961 -8.852 6.710 1.00 0.00 H new ATOM 0 HB THR A 13 12.074 -9.431 5.978 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.616 -8.823 8.202 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.235 -11.090 7.805 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.436 -11.394 6.527 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.937 -10.635 8.057 1.00 0.00 H new ATOM 211 N GLY A 14 13.432 -9.492 3.829 1.00 0.00 N ATOM 212 CA GLY A 14 13.556 -10.230 2.591 1.00 0.00 C ATOM 213 C GLY A 14 13.064 -9.431 1.407 1.00 0.00 C ATOM 214 O GLY A 14 11.924 -8.967 1.394 1.00 0.00 O ATOM 0 H GLY A 14 12.580 -8.937 3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.599 -10.505 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.989 -11.158 2.663 1.00 0.00 H new ATOM 218 N VAL A 15 13.924 -9.286 0.409 1.00 0.00 N ATOM 219 CA VAL A 15 13.619 -8.497 -0.780 1.00 0.00 C ATOM 220 C VAL A 15 12.476 -9.122 -1.580 1.00 0.00 C ATOM 221 O VAL A 15 11.579 -8.422 -2.053 1.00 0.00 O ATOM 222 CB VAL A 15 14.861 -8.355 -1.690 1.00 0.00 C ATOM 223 CG1 VAL A 15 14.563 -7.461 -2.888 1.00 0.00 C ATOM 224 CG2 VAL A 15 16.044 -7.815 -0.900 1.00 0.00 C ATOM 0 H VAL A 15 14.851 -9.710 0.399 1.00 0.00 H new ATOM 0 HA VAL A 15 13.314 -7.508 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 15 15.119 -9.345 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 15 15.454 -7.379 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.751 -7.894 -3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 15 14.271 -6.470 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.909 -7.722 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.792 -6.837 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 15 16.280 -8.499 -0.085 1.00 0.00 H new ATOM 234 N ALA A 16 12.506 -10.444 -1.714 1.00 0.00 N ATOM 235 CA ALA A 16 11.463 -11.165 -2.440 1.00 0.00 C ATOM 236 C ALA A 16 10.110 -10.994 -1.761 1.00 0.00 C ATOM 237 O ALA A 16 9.068 -10.965 -2.418 1.00 0.00 O ATOM 238 CB ALA A 16 11.816 -12.639 -2.551 1.00 0.00 C ATOM 0 H ALA A 16 13.240 -11.039 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 16 11.396 -10.745 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.029 -13.162 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.760 -12.748 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.913 -13.066 -1.553 1.00 0.00 H new ATOM 244 N HIS A 17 10.137 -10.853 -0.439 1.00 0.00 N ATOM 245 CA HIS A 17 8.915 -10.664 0.335 1.00 0.00 C ATOM 246 C HIS A 17 8.330 -9.291 0.050 1.00 0.00 C ATOM 247 O HIS A 17 7.119 -9.143 -0.097 1.00 0.00 O ATOM 248 CB HIS A 17 9.186 -10.821 1.837 1.00 0.00 C ATOM 249 CG HIS A 17 9.476 -12.226 2.264 1.00 0.00 C ATOM 250 ND1 HIS A 17 9.295 -12.670 3.556 1.00 0.00 N ATOM 251 CD2 HIS A 17 9.944 -13.290 1.569 1.00 0.00 C ATOM 252 CE1 HIS A 17 9.638 -13.942 3.635 1.00 0.00 C ATOM 253 NE2 HIS A 17 10.037 -14.338 2.444 1.00 0.00 N ATOM 0 H HIS A 17 10.991 -10.866 0.118 1.00 0.00 H new ATOM 0 HA HIS A 17 8.198 -11.429 0.038 1.00 0.00 H new ATOM 0 HB2 HIS A 17 10.030 -10.188 2.111 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.321 -10.456 2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.197 -13.308 0.519 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.598 -14.554 4.524 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.363 -15.276 2.211 1.00 0.00 H new ATOM 262 N THR A 18 9.208 -8.298 -0.042 1.00 0.00 N ATOM 263 CA THR A 18 8.809 -6.937 -0.360 1.00 0.00 C ATOM 264 C THR A 18 8.048 -6.888 -1.679 1.00 0.00 C ATOM 265 O THR A 18 6.958 -6.322 -1.770 1.00 0.00 O ATOM 266 CB THR A 18 10.045 -6.027 -0.481 1.00 0.00 C ATOM 267 OG1 THR A 18 10.876 -6.165 0.674 1.00 0.00 O ATOM 268 CG2 THR A 18 9.645 -4.570 -0.645 1.00 0.00 C ATOM 0 H THR A 18 10.211 -8.416 0.101 1.00 0.00 H new ATOM 0 HA THR A 18 8.166 -6.588 0.448 1.00 0.00 H new ATOM 0 HB THR A 18 10.597 -6.336 -1.368 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.659 -5.583 0.585 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.540 -3.954 -0.728 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.043 -4.457 -1.546 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.065 -4.252 0.221 1.00 0.00 H new ATOM 276 N TYR A 19 8.628 -7.509 -2.694 1.00 0.00 N ATOM 277 CA TYR A 19 8.086 -7.434 -4.039 1.00 0.00 C ATOM 278 C TYR A 19 6.823 -8.282 -4.181 1.00 0.00 C ATOM 279 O TYR A 19 5.842 -7.845 -4.784 1.00 0.00 O ATOM 280 CB TYR A 19 9.144 -7.872 -5.053 1.00 0.00 C ATOM 281 CG TYR A 19 8.774 -7.553 -6.481 1.00 0.00 C ATOM 282 CD1 TYR A 19 8.689 -6.235 -6.911 1.00 0.00 C ATOM 283 CD2 TYR A 19 8.508 -8.559 -7.395 1.00 0.00 C ATOM 284 CE1 TYR A 19 8.344 -5.930 -8.211 1.00 0.00 C ATOM 285 CE2 TYR A 19 8.159 -8.264 -8.699 1.00 0.00 C ATOM 286 CZ TYR A 19 8.083 -6.947 -9.102 1.00 0.00 C ATOM 287 OH TYR A 19 7.734 -6.646 -10.399 1.00 0.00 O ATOM 0 H TYR A 19 9.475 -8.071 -2.610 1.00 0.00 H new ATOM 0 HA TYR A 19 7.810 -6.398 -4.237 1.00 0.00 H new ATOM 0 HB2 TYR A 19 10.090 -7.386 -4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.305 -8.946 -4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.897 -5.435 -6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.574 -9.591 -7.083 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.279 -4.900 -8.528 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.947 -9.059 -9.398 1.00 0.00 H new ATOM 0 HH TYR A 19 7.584 -7.476 -10.898 1.00 0.00 H new ATOM 297 N MET A 20 6.839 -9.482 -3.608 1.00 0.00 N ATOM 298 CA MET A 20 5.703 -10.389 -3.723 1.00 0.00 C ATOM 299 C MET A 20 4.481 -9.833 -2.998 1.00 0.00 C ATOM 300 O MET A 20 3.342 -10.099 -3.394 1.00 0.00 O ATOM 301 CB MET A 20 6.059 -11.780 -3.189 1.00 0.00 C ATOM 302 CG MET A 20 4.916 -12.778 -3.306 1.00 0.00 C ATOM 303 SD MET A 20 5.417 -14.477 -2.952 1.00 0.00 S ATOM 304 CE MET A 20 6.149 -14.288 -1.329 1.00 0.00 C ATOM 0 H MET A 20 7.620 -9.847 -3.063 1.00 0.00 H new ATOM 0 HA MET A 20 5.456 -10.481 -4.781 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.923 -12.161 -3.734 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.354 -11.696 -2.143 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.119 -12.490 -2.620 1.00 0.00 H new ATOM 0 HG3 MET A 20 4.502 -12.730 -4.313 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.207 -14.546 -1.375 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.042 -13.255 -1.000 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.645 -14.948 -0.623 1.00 0.00 H new ATOM 314 N ALA A 21 4.716 -9.050 -1.950 1.00 0.00 N ATOM 315 CA ALA A 21 3.629 -8.412 -1.219 1.00 0.00 C ATOM 316 C ALA A 21 2.841 -7.490 -2.140 1.00 0.00 C ATOM 317 O ALA A 21 1.612 -7.507 -2.144 1.00 0.00 O ATOM 318 CB ALA A 21 4.165 -7.638 -0.025 1.00 0.00 C ATOM 0 H ALA A 21 5.647 -8.843 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 21 2.961 -9.190 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.337 -7.170 0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.687 -8.320 0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.856 -6.869 -0.370 1.00 0.00 H new ATOM 324 N ALA A 22 3.566 -6.714 -2.938 1.00 0.00 N ATOM 325 CA ALA A 22 2.955 -5.793 -3.890 1.00 0.00 C ATOM 326 C ALA A 22 2.176 -6.549 -4.957 1.00 0.00 C ATOM 327 O ALA A 22 1.093 -6.127 -5.364 1.00 0.00 O ATOM 328 CB ALA A 22 4.025 -4.928 -4.542 1.00 0.00 C ATOM 0 H ALA A 22 4.586 -6.705 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 22 2.259 -5.154 -3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.558 -4.244 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.547 -4.355 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.737 -5.564 -5.067 1.00 0.00 H new ATOM 334 N GLN A 23 2.731 -7.673 -5.401 1.00 0.00 N ATOM 335 CA GLN A 23 2.111 -8.477 -6.451 1.00 0.00 C ATOM 336 C GLN A 23 0.786 -9.072 -5.979 1.00 0.00 C ATOM 337 O GLN A 23 -0.230 -8.971 -6.668 1.00 0.00 O ATOM 338 CB GLN A 23 3.050 -9.601 -6.892 1.00 0.00 C ATOM 339 CG GLN A 23 4.408 -9.115 -7.371 1.00 0.00 C ATOM 340 CD GLN A 23 5.283 -10.245 -7.873 1.00 0.00 C ATOM 341 OE1 GLN A 23 6.013 -10.872 -7.102 1.00 0.00 O ATOM 342 NE2 GLN A 23 5.230 -10.502 -9.169 1.00 0.00 N ATOM 0 H GLN A 23 3.611 -8.049 -5.049 1.00 0.00 H new ATOM 0 HA GLN A 23 1.915 -7.820 -7.298 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.194 -10.289 -6.059 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.574 -10.166 -7.693 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.269 -8.385 -8.169 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.916 -8.602 -6.554 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.612 -9.959 -9.772 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.807 -11.243 -9.566 1.00 0.00 H new ATOM 351 N ALA A 24 0.802 -9.682 -4.799 1.00 0.00 N ATOM 352 CA ALA A 24 -0.395 -10.302 -4.245 1.00 0.00 C ATOM 353 C ALA A 24 -1.428 -9.244 -3.877 1.00 0.00 C ATOM 354 O ALA A 24 -2.626 -9.422 -4.103 1.00 0.00 O ATOM 355 CB ALA A 24 -0.039 -11.148 -3.033 1.00 0.00 C ATOM 0 H ALA A 24 1.630 -9.760 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.830 -10.952 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.943 -11.605 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.662 -11.929 -3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.420 -10.518 -2.271 1.00 0.00 H new ATOM 361 N LEU A 25 -0.952 -8.138 -3.320 1.00 0.00 N ATOM 362 CA LEU A 25 -1.818 -7.017 -2.969 1.00 0.00 C ATOM 363 C LEU A 25 -2.503 -6.460 -4.217 1.00 0.00 C ATOM 364 O LEU A 25 -3.702 -6.167 -4.204 1.00 0.00 O ATOM 365 CB LEU A 25 -0.997 -5.927 -2.278 1.00 0.00 C ATOM 366 CG LEU A 25 -1.791 -4.739 -1.739 1.00 0.00 C ATOM 367 CD1 LEU A 25 -2.790 -5.191 -0.683 1.00 0.00 C ATOM 368 CD2 LEU A 25 -0.841 -3.697 -1.171 1.00 0.00 C ATOM 0 H LEU A 25 0.033 -7.992 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.590 -7.367 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.450 -6.380 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.255 -5.554 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.352 -4.292 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.344 -4.328 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.484 -5.907 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.258 -5.662 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.414 -2.852 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.260 -4.138 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.167 -3.353 -1.956 1.00 0.00 H new ATOM 380 N LYS A 26 -1.733 -6.330 -5.294 1.00 0.00 N ATOM 381 CA LYS A 26 -2.266 -5.887 -6.579 1.00 0.00 C ATOM 382 C LYS A 26 -3.349 -6.844 -7.059 1.00 0.00 C ATOM 383 O LYS A 26 -4.417 -6.419 -7.501 1.00 0.00 O ATOM 384 CB LYS A 26 -1.149 -5.817 -7.623 1.00 0.00 C ATOM 385 CG LYS A 26 -1.627 -5.375 -8.999 1.00 0.00 C ATOM 386 CD LYS A 26 -0.588 -5.668 -10.072 1.00 0.00 C ATOM 387 CE LYS A 26 0.710 -4.913 -9.830 1.00 0.00 C ATOM 388 NZ LYS A 26 1.734 -5.252 -10.853 1.00 0.00 N ATOM 0 H LYS A 26 -0.732 -6.526 -5.302 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.696 -4.894 -6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.381 -5.126 -7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.681 -6.798 -7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.558 -5.887 -9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.845 -4.307 -8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.385 -6.739 -10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.989 -5.396 -11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.517 -3.840 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.092 -5.152 -8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.607 -4.721 -10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.935 -6.272 -10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.378 -5.001 -11.797 1.00 0.00 H new ATOM 402 N LYS A 27 -3.061 -8.139 -6.952 1.00 0.00 N ATOM 403 CA LYS A 27 -3.992 -9.185 -7.362 1.00 0.00 C ATOM 404 C LYS A 27 -5.329 -9.035 -6.636 1.00 0.00 C ATOM 405 O LYS A 27 -6.391 -9.124 -7.249 1.00 0.00 O ATOM 406 CB LYS A 27 -3.386 -10.566 -7.080 1.00 0.00 C ATOM 407 CG LYS A 27 -4.290 -11.733 -7.463 1.00 0.00 C ATOM 408 CD LYS A 27 -4.549 -11.790 -8.964 1.00 0.00 C ATOM 409 CE LYS A 27 -3.281 -12.099 -9.751 1.00 0.00 C ATOM 410 NZ LYS A 27 -2.683 -13.406 -9.367 1.00 0.00 N ATOM 0 H LYS A 27 -2.179 -8.491 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.173 -9.088 -8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.445 -10.656 -7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.149 -10.637 -6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.832 -12.667 -7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.239 -11.644 -6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.300 -12.551 -9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.959 -10.837 -9.298 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.510 -12.106 -10.817 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.552 -11.306 -9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.975 -13.685 -10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.227 -13.319 -8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.429 -14.129 -9.320 1.00 0.00 H new ATOM 424 N GLY A 28 -5.264 -8.792 -5.333 1.00 0.00 N ATOM 425 CA GLY A 28 -6.470 -8.636 -4.544 1.00 0.00 C ATOM 426 C GLY A 28 -7.265 -7.400 -4.928 1.00 0.00 C ATOM 427 O GLY A 28 -8.494 -7.443 -4.994 1.00 0.00 O ATOM 0 H GLY A 28 -4.395 -8.700 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.097 -9.519 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.204 -8.579 -3.488 1.00 0.00 H new ATOM 431 N ALA A 29 -6.566 -6.300 -5.183 1.00 0.00 N ATOM 432 CA ALA A 29 -7.217 -5.046 -5.540 1.00 0.00 C ATOM 433 C ALA A 29 -7.860 -5.142 -6.916 1.00 0.00 C ATOM 434 O ALA A 29 -8.974 -4.659 -7.127 1.00 0.00 O ATOM 435 CB ALA A 29 -6.223 -3.898 -5.495 1.00 0.00 C ATOM 0 H ALA A 29 -5.548 -6.252 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.003 -4.851 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.727 -2.970 -5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.814 -3.810 -4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.414 -4.089 -6.200 1.00 0.00 H new ATOM 441 N LYS A 30 -7.151 -5.775 -7.841 1.00 0.00 N ATOM 442 CA LYS A 30 -7.663 -6.013 -9.184 1.00 0.00 C ATOM 443 C LYS A 30 -8.885 -6.924 -9.131 1.00 0.00 C ATOM 444 O LYS A 30 -9.856 -6.729 -9.859 1.00 0.00 O ATOM 445 CB LYS A 30 -6.572 -6.657 -10.039 1.00 0.00 C ATOM 446 CG LYS A 30 -6.962 -6.866 -11.492 1.00 0.00 C ATOM 447 CD LYS A 30 -5.888 -7.637 -12.239 1.00 0.00 C ATOM 448 CE LYS A 30 -6.201 -7.737 -13.720 1.00 0.00 C ATOM 449 NZ LYS A 30 -5.200 -8.565 -14.443 1.00 0.00 N ATOM 0 H LYS A 30 -6.210 -6.136 -7.683 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.957 -5.061 -9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.680 -6.032 -10.000 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.306 -7.620 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.906 -7.408 -11.544 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.122 -5.900 -11.972 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.925 -7.145 -12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.798 -8.638 -11.817 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.193 -8.168 -13.853 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.227 -6.737 -14.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.449 -8.609 -15.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.257 -8.140 -14.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.193 -9.526 -14.046 1.00 0.00 H new ATOM 463 N LYS A 31 -8.818 -7.912 -8.245 1.00 0.00 N ATOM 464 CA LYS A 31 -9.889 -8.886 -8.059 1.00 0.00 C ATOM 465 C LYS A 31 -11.165 -8.210 -7.557 1.00 0.00 C ATOM 466 O LYS A 31 -12.279 -8.656 -7.845 1.00 0.00 O ATOM 467 CB LYS A 31 -9.426 -9.944 -7.055 1.00 0.00 C ATOM 468 CG LYS A 31 -10.387 -11.104 -6.863 1.00 0.00 C ATOM 469 CD LYS A 31 -9.877 -12.048 -5.787 1.00 0.00 C ATOM 470 CE LYS A 31 -10.837 -13.196 -5.539 1.00 0.00 C ATOM 471 NZ LYS A 31 -10.359 -14.085 -4.448 1.00 0.00 N ATOM 0 H LYS A 31 -8.016 -8.061 -7.633 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.115 -9.354 -9.017 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.464 -10.338 -7.382 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.263 -9.463 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.371 -10.726 -6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.506 -11.644 -7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.906 -12.445 -6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.726 -11.494 -4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.819 -12.800 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.956 -13.775 -6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.864 -14.993 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.338 -14.251 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.540 -13.634 -3.528 1.00 0.00 H new ATOM 485 N MET A 32 -10.997 -7.138 -6.797 1.00 0.00 N ATOM 486 CA MET A 32 -12.132 -6.395 -6.260 1.00 0.00 C ATOM 487 C MET A 32 -12.556 -5.280 -7.213 1.00 0.00 C ATOM 488 O MET A 32 -13.663 -4.749 -7.111 1.00 0.00 O ATOM 489 CB MET A 32 -11.783 -5.813 -4.893 1.00 0.00 C ATOM 490 CG MET A 32 -11.567 -6.862 -3.816 1.00 0.00 C ATOM 491 SD MET A 32 -13.064 -7.793 -3.447 1.00 0.00 S ATOM 492 CE MET A 32 -12.531 -8.730 -2.017 1.00 0.00 C ATOM 0 H MET A 32 -10.085 -6.761 -6.537 1.00 0.00 H new ATOM 0 HA MET A 32 -12.968 -7.086 -6.149 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.880 -5.210 -4.985 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.583 -5.143 -4.579 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.785 -7.550 -4.136 1.00 0.00 H new ATOM 0 HG3 MET A 32 -11.212 -6.377 -2.907 1.00 0.00 H new ATOM 0 HE1 MET A 32 -13.356 -9.346 -1.657 1.00 0.00 H new ATOM 0 HE2 MET A 32 -11.694 -9.371 -2.293 1.00 0.00 H new ATOM 0 HE3 MET A 32 -12.219 -8.045 -1.229 1.00 0.00 H new ATOM 502 N GLY A 33 -11.665 -4.928 -8.128 1.00 0.00 N ATOM 503 CA GLY A 33 -11.969 -3.913 -9.118 1.00 0.00 C ATOM 504 C GLY A 33 -11.678 -2.506 -8.631 1.00 0.00 C ATOM 505 O GLY A 33 -12.383 -1.564 -8.995 1.00 0.00 O ATOM 0 H GLY A 33 -10.730 -5.330 -8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.388 -4.107 -10.020 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.021 -3.986 -9.394 1.00 0.00 H new ATOM 509 N ASN A 34 -10.637 -2.361 -7.822 1.00 0.00 N ATOM 510 CA ASN A 34 -10.264 -1.054 -7.288 1.00 0.00 C ATOM 511 C ASN A 34 -9.128 -0.443 -8.095 1.00 0.00 C ATOM 512 O ASN A 34 -8.659 -1.029 -9.076 1.00 0.00 O ATOM 513 CB ASN A 34 -9.842 -1.145 -5.818 1.00 0.00 C ATOM 514 CG ASN A 34 -10.979 -1.525 -4.892 1.00 0.00 C ATOM 515 OD1 ASN A 34 -11.769 -0.679 -4.477 1.00 0.00 O ATOM 516 ND2 ASN A 34 -11.053 -2.795 -4.538 1.00 0.00 N ATOM 0 H ASN A 34 -10.036 -3.128 -7.521 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.146 -0.418 -7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.043 -1.880 -5.721 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.432 -0.185 -5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.785 -3.104 -3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.378 -3.467 -4.904 1.00 0.00 H new ATOM 523 N LEU A 35 -8.684 0.732 -7.672 1.00 0.00 N ATOM 524 CA LEU A 35 -7.591 1.426 -8.331 1.00 0.00 C ATOM 525 C LEU A 35 -6.425 1.571 -7.366 1.00 0.00 C ATOM 526 O LEU A 35 -6.410 2.468 -6.520 1.00 0.00 O ATOM 527 CB LEU A 35 -8.043 2.801 -8.826 1.00 0.00 C ATOM 528 CG LEU A 35 -9.192 2.786 -9.838 1.00 0.00 C ATOM 529 CD1 LEU A 35 -9.575 4.204 -10.225 1.00 0.00 C ATOM 530 CD2 LEU A 35 -8.805 1.984 -11.072 1.00 0.00 C ATOM 0 H LEU A 35 -9.069 1.227 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.274 0.842 -9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.346 3.397 -7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.189 3.305 -9.278 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.055 2.309 -9.374 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.393 4.176 -10.945 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.892 4.751 -9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.716 4.704 -10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.633 1.984 -11.780 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.929 2.434 -11.538 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.575 0.959 -10.782 1.00 0.00 H new ATOM 542 N ILE A 36 -5.465 0.673 -7.473 1.00 0.00 N ATOM 543 CA ILE A 36 -4.357 0.648 -6.541 1.00 0.00 C ATOM 544 C ILE A 36 -3.061 1.091 -7.212 1.00 0.00 C ATOM 545 O ILE A 36 -2.793 0.756 -8.367 1.00 0.00 O ATOM 546 CB ILE A 36 -4.175 -0.757 -5.921 1.00 0.00 C ATOM 547 CG1 ILE A 36 -3.134 -0.709 -4.800 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.779 -1.775 -6.986 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.959 -2.026 -4.079 1.00 0.00 C ATOM 0 H ILE A 36 -5.431 -0.047 -8.195 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.594 1.351 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.128 -1.073 -5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.175 -0.404 -5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.424 0.055 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.657 -2.755 -6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.557 -1.826 -7.747 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.839 -1.472 -7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.206 -1.916 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.907 -2.324 -3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.638 -2.789 -4.788 1.00 0.00 H new ATOM 561 N LYS A 37 -2.283 1.870 -6.487 1.00 0.00 N ATOM 562 CA LYS A 37 -0.962 2.265 -6.930 1.00 0.00 C ATOM 563 C LYS A 37 0.046 1.826 -5.883 1.00 0.00 C ATOM 564 O LYS A 37 0.187 2.455 -4.832 1.00 0.00 O ATOM 565 CB LYS A 37 -0.911 3.782 -7.157 1.00 0.00 C ATOM 566 CG LYS A 37 0.382 4.278 -7.788 1.00 0.00 C ATOM 567 CD LYS A 37 0.652 3.620 -9.133 1.00 0.00 C ATOM 568 CE LYS A 37 1.929 4.152 -9.767 1.00 0.00 C ATOM 569 NZ LYS A 37 1.781 5.562 -10.222 1.00 0.00 N ATOM 0 H LYS A 37 -2.548 2.246 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.721 1.787 -7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.747 4.070 -7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.051 4.286 -6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.330 5.359 -7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.214 4.078 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.732 2.541 -9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.190 3.799 -9.802 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.745 4.087 -9.047 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.201 3.524 -10.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.760 5.591 -11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.895 5.957 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.584 6.125 -9.876 1.00 0.00 H new ATOM 583 N VAL A 38 0.717 0.719 -6.157 1.00 0.00 N ATOM 584 CA VAL A 38 1.608 0.122 -5.184 1.00 0.00 C ATOM 585 C VAL A 38 3.058 0.461 -5.504 1.00 0.00 C ATOM 586 O VAL A 38 3.439 0.575 -6.668 1.00 0.00 O ATOM 587 CB VAL A 38 1.414 -1.413 -5.107 1.00 0.00 C ATOM 588 CG1 VAL A 38 1.805 -2.088 -6.415 1.00 0.00 C ATOM 589 CG2 VAL A 38 2.187 -2.002 -3.936 1.00 0.00 C ATOM 0 H VAL A 38 0.660 0.219 -7.044 1.00 0.00 H new ATOM 0 HA VAL A 38 1.360 0.539 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 38 0.354 -1.604 -4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.657 -3.164 -6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.185 -1.701 -7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.853 -1.882 -6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.034 -3.081 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.249 -1.790 -4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.832 -1.558 -3.006 1.00 0.00 H new ATOM 599 N GLU A 39 3.841 0.668 -4.460 1.00 0.00 N ATOM 600 CA GLU A 39 5.256 0.956 -4.594 1.00 0.00 C ATOM 601 C GLU A 39 6.089 -0.097 -3.875 1.00 0.00 C ATOM 602 O GLU A 39 5.861 -0.380 -2.700 1.00 0.00 O ATOM 603 CB GLU A 39 5.573 2.332 -4.006 1.00 0.00 C ATOM 604 CG GLU A 39 7.034 2.727 -4.134 1.00 0.00 C ATOM 605 CD GLU A 39 7.378 3.961 -3.327 1.00 0.00 C ATOM 606 OE1 GLU A 39 6.909 5.059 -3.688 1.00 0.00 O ATOM 607 OE2 GLU A 39 8.132 3.835 -2.343 1.00 0.00 O ATOM 0 H GLU A 39 3.512 0.641 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 39 5.504 0.945 -5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.958 3.081 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.294 2.340 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.661 1.897 -3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.267 2.907 -5.183 1.00 0.00 H new ATOM 614 N THR A 40 7.035 -0.691 -4.579 1.00 0.00 N ATOM 615 CA THR A 40 7.997 -1.572 -3.949 1.00 0.00 C ATOM 616 C THR A 40 9.307 -0.822 -3.718 1.00 0.00 C ATOM 617 O THR A 40 9.968 -0.400 -4.666 1.00 0.00 O ATOM 618 CB THR A 40 8.253 -2.826 -4.807 1.00 0.00 C ATOM 619 OG1 THR A 40 7.020 -3.518 -5.033 1.00 0.00 O ATOM 620 CG2 THR A 40 9.244 -3.761 -4.129 1.00 0.00 C ATOM 0 H THR A 40 7.157 -0.579 -5.586 1.00 0.00 H new ATOM 0 HA THR A 40 7.587 -1.897 -2.993 1.00 0.00 H new ATOM 0 HB THR A 40 8.677 -2.506 -5.759 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.156 -4.218 -5.706 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.406 -4.637 -4.757 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.191 -3.242 -3.980 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.846 -4.075 -3.164 1.00 0.00 H new ATOM 628 N GLN A 41 9.660 -0.626 -2.458 1.00 0.00 N ATOM 629 CA GLN A 41 10.885 0.075 -2.117 1.00 0.00 C ATOM 630 C GLN A 41 11.824 -0.848 -1.349 1.00 0.00 C ATOM 631 O GLN A 41 11.677 -1.050 -0.146 1.00 0.00 O ATOM 632 CB GLN A 41 10.565 1.330 -1.299 1.00 0.00 C ATOM 633 CG GLN A 41 11.774 2.207 -1.016 1.00 0.00 C ATOM 634 CD GLN A 41 11.404 3.513 -0.334 1.00 0.00 C ATOM 635 OE1 GLN A 41 12.185 4.065 0.440 1.00 0.00 O ATOM 636 NE2 GLN A 41 10.219 4.032 -0.627 1.00 0.00 N ATOM 0 H GLN A 41 9.115 -0.943 -1.656 1.00 0.00 H new ATOM 0 HA GLN A 41 11.384 0.383 -3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.819 1.919 -1.832 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.117 1.030 -0.352 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.476 1.659 -0.387 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.288 2.424 -1.953 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.596 3.548 -1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.931 4.915 -0.206 1.00 0.00 H new ATOM 645 N GLY A 42 12.786 -1.418 -2.056 1.00 0.00 N ATOM 646 CA GLY A 42 13.720 -2.332 -1.432 1.00 0.00 C ATOM 647 C GLY A 42 14.886 -1.604 -0.803 1.00 0.00 C ATOM 648 O GLY A 42 16.035 -1.823 -1.187 1.00 0.00 O ATOM 0 H GLY A 42 12.938 -1.264 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.203 -2.916 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.091 -3.037 -2.176 1.00 0.00 H new ATOM 652 N ALA A 43 14.575 -0.735 0.162 1.00 0.00 N ATOM 653 CA ALA A 43 15.573 0.092 0.841 1.00 0.00 C ATOM 654 C ALA A 43 16.307 0.983 -0.156 1.00 0.00 C ATOM 655 O ALA A 43 17.330 0.588 -0.721 1.00 0.00 O ATOM 656 CB ALA A 43 16.557 -0.767 1.627 1.00 0.00 C ATOM 0 H ALA A 43 13.622 -0.586 0.494 1.00 0.00 H new ATOM 0 HA ALA A 43 15.049 0.733 1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.287 -0.125 2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.017 -1.346 2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.072 -1.445 0.947 1.00 0.00 H new ATOM 662 N THR A 44 15.745 2.171 -0.392 1.00 0.00 N ATOM 663 CA THR A 44 16.295 3.145 -1.341 1.00 0.00 C ATOM 664 C THR A 44 15.985 2.758 -2.796 1.00 0.00 C ATOM 665 O THR A 44 15.662 3.619 -3.622 1.00 0.00 O ATOM 666 CB THR A 44 17.819 3.335 -1.157 1.00 0.00 C ATOM 667 OG1 THR A 44 18.104 3.665 0.210 1.00 0.00 O ATOM 668 CG2 THR A 44 18.350 4.436 -2.064 1.00 0.00 C ATOM 0 H THR A 44 14.893 2.487 0.071 1.00 0.00 H new ATOM 0 HA THR A 44 15.806 4.095 -1.125 1.00 0.00 H new ATOM 0 HB THR A 44 18.312 2.400 -1.425 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.070 3.783 0.323 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.424 4.546 -1.912 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.155 4.176 -3.104 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.852 5.376 -1.826 1.00 0.00 H new ATOM 676 N GLY A 45 16.070 1.470 -3.101 1.00 0.00 N ATOM 677 CA GLY A 45 15.765 1.000 -4.437 1.00 0.00 C ATOM 678 C GLY A 45 14.276 0.924 -4.673 1.00 0.00 C ATOM 679 O GLY A 45 13.625 -0.046 -4.283 1.00 0.00 O ATOM 0 H GLY A 45 16.346 0.740 -2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.217 1.668 -5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.208 0.016 -4.587 1.00 0.00 H new ATOM 683 N ILE A 46 13.731 1.957 -5.289 1.00 0.00 N ATOM 684 CA ILE A 46 12.300 2.038 -5.513 1.00 0.00 C ATOM 685 C ILE A 46 11.941 1.519 -6.902 1.00 0.00 C ATOM 686 O ILE A 46 12.502 1.964 -7.904 1.00 0.00 O ATOM 687 CB ILE A 46 11.792 3.485 -5.358 1.00 0.00 C ATOM 688 CG1 ILE A 46 12.289 4.089 -4.042 1.00 0.00 C ATOM 689 CG2 ILE A 46 10.276 3.512 -5.413 1.00 0.00 C ATOM 690 CD1 ILE A 46 11.889 5.537 -3.842 1.00 0.00 C ATOM 0 H ILE A 46 14.260 2.754 -5.644 1.00 0.00 H new ATOM 0 HA ILE A 46 11.816 1.415 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 46 12.184 4.084 -6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.902 3.497 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 46 13.376 4.014 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.926 4.538 -5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.940 3.115 -6.371 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.872 2.902 -4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.278 5.893 -2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.299 6.143 -4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.802 5.618 -3.844 1.00 0.00 H new ATOM 702 N GLU A 47 11.008 0.581 -6.956 1.00 0.00 N ATOM 703 CA GLU A 47 10.601 -0.024 -8.214 1.00 0.00 C ATOM 704 C GLU A 47 9.579 0.842 -8.944 1.00 0.00 C ATOM 705 O GLU A 47 9.665 1.030 -10.157 1.00 0.00 O ATOM 706 CB GLU A 47 10.007 -1.410 -7.958 1.00 0.00 C ATOM 707 CG GLU A 47 10.972 -2.373 -7.293 1.00 0.00 C ATOM 708 CD GLU A 47 12.148 -2.726 -8.180 1.00 0.00 C ATOM 709 OE1 GLU A 47 12.030 -3.681 -8.975 1.00 0.00 O ATOM 710 OE2 GLU A 47 13.194 -2.056 -8.086 1.00 0.00 O ATOM 0 H GLU A 47 10.516 0.221 -6.138 1.00 0.00 H new ATOM 0 HA GLU A 47 11.486 -0.112 -8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.121 -1.306 -7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.678 -1.836 -8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.340 -1.931 -6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.440 -3.285 -7.022 1.00 0.00 H new ATOM 717 N ASN A 48 8.620 1.374 -8.194 1.00 0.00 N ATOM 718 CA ASN A 48 7.490 2.096 -8.782 1.00 0.00 C ATOM 719 C ASN A 48 7.592 3.594 -8.505 1.00 0.00 C ATOM 720 O ASN A 48 7.664 4.399 -9.433 1.00 0.00 O ATOM 721 CB ASN A 48 6.171 1.563 -8.208 1.00 0.00 C ATOM 722 CG ASN A 48 6.056 0.054 -8.307 1.00 0.00 C ATOM 723 OD1 ASN A 48 6.557 -0.672 -7.447 1.00 0.00 O ATOM 724 ND2 ASN A 48 5.373 -0.428 -9.335 1.00 0.00 N ATOM 0 H ASN A 48 8.600 1.320 -7.176 1.00 0.00 H new ATOM 0 HA ASN A 48 7.514 1.938 -9.860 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.087 1.862 -7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.337 2.022 -8.739 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.246 -1.435 -9.436 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.974 0.208 -10.025 1.00 0.00 H new ATOM 731 N GLU A 49 7.591 3.938 -7.214 1.00 0.00 N ATOM 732 CA GLU A 49 7.634 5.325 -6.734 1.00 0.00 C ATOM 733 C GLU A 49 6.280 6.005 -6.891 1.00 0.00 C ATOM 734 O GLU A 49 5.813 6.257 -8.005 1.00 0.00 O ATOM 735 CB GLU A 49 8.725 6.153 -7.422 1.00 0.00 C ATOM 736 CG GLU A 49 8.828 7.576 -6.889 1.00 0.00 C ATOM 737 CD GLU A 49 9.978 8.349 -7.497 1.00 0.00 C ATOM 738 OE1 GLU A 49 11.133 8.112 -7.094 1.00 0.00 O ATOM 739 OE2 GLU A 49 9.738 9.203 -8.373 1.00 0.00 O ATOM 0 H GLU A 49 7.560 3.251 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 49 7.883 5.274 -5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.685 5.654 -7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.524 6.187 -8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.895 8.103 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.949 7.545 -5.806 1.00 0.00 H new ATOM 746 N LEU A 50 5.651 6.282 -5.764 1.00 0.00 N ATOM 747 CA LEU A 50 4.383 6.987 -5.748 1.00 0.00 C ATOM 748 C LEU A 50 4.626 8.487 -5.756 1.00 0.00 C ATOM 749 O LEU A 50 5.215 9.034 -4.821 1.00 0.00 O ATOM 750 CB LEU A 50 3.577 6.599 -4.507 1.00 0.00 C ATOM 751 CG LEU A 50 3.437 5.092 -4.267 1.00 0.00 C ATOM 752 CD1 LEU A 50 2.567 4.820 -3.052 1.00 0.00 C ATOM 753 CD2 LEU A 50 2.868 4.401 -5.493 1.00 0.00 C ATOM 0 H LEU A 50 6.001 6.027 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 50 3.816 6.710 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.047 7.048 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.580 7.032 -4.590 1.00 0.00 H new ATOM 0 HG LEU A 50 4.431 4.687 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.481 3.744 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.019 5.276 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.576 5.244 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.778 3.332 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.885 4.813 -5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.533 4.561 -6.342 1.00 0.00 H new ATOM 765 N THR A 51 4.185 9.153 -6.811 1.00 0.00 N ATOM 766 CA THR A 51 4.381 10.586 -6.926 1.00 0.00 C ATOM 767 C THR A 51 3.319 11.321 -6.124 1.00 0.00 C ATOM 768 O THR A 51 2.325 10.723 -5.709 1.00 0.00 O ATOM 769 CB THR A 51 4.332 11.058 -8.393 1.00 0.00 C ATOM 770 OG1 THR A 51 3.033 10.816 -8.946 1.00 0.00 O ATOM 771 CG2 THR A 51 5.385 10.344 -9.230 1.00 0.00 C ATOM 0 H THR A 51 3.692 8.726 -7.595 1.00 0.00 H new ATOM 0 HA THR A 51 5.372 10.813 -6.532 1.00 0.00 H new ATOM 0 HB THR A 51 4.540 12.128 -8.411 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.593 10.097 -8.446 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.330 10.695 -10.261 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.375 10.556 -8.827 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.205 9.269 -9.202 1.00 0.00 H new ATOM 779 N GLU A 52 3.528 12.614 -5.909 1.00 0.00 N ATOM 780 CA GLU A 52 2.595 13.426 -5.143 1.00 0.00 C ATOM 781 C GLU A 52 1.180 13.340 -5.718 1.00 0.00 C ATOM 782 O GLU A 52 0.199 13.380 -4.974 1.00 0.00 O ATOM 783 CB GLU A 52 3.057 14.882 -5.113 1.00 0.00 C ATOM 784 CG GLU A 52 2.260 15.747 -4.154 1.00 0.00 C ATOM 785 CD GLU A 52 2.643 17.204 -4.230 1.00 0.00 C ATOM 786 OE1 GLU A 52 3.614 17.604 -3.557 1.00 0.00 O ATOM 787 OE2 GLU A 52 1.967 17.957 -4.958 1.00 0.00 O ATOM 0 H GLU A 52 4.340 13.123 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 52 2.573 13.036 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.110 14.916 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.981 15.300 -6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.198 15.643 -4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.411 15.388 -3.136 1.00 0.00 H new ATOM 794 N LYS A 53 1.072 13.206 -7.037 1.00 0.00 N ATOM 795 CA LYS A 53 -0.232 13.093 -7.679 1.00 0.00 C ATOM 796 C LYS A 53 -0.917 11.792 -7.280 1.00 0.00 C ATOM 797 O LYS A 53 -2.104 11.787 -6.959 1.00 0.00 O ATOM 798 CB LYS A 53 -0.112 13.184 -9.200 1.00 0.00 C ATOM 799 CG LYS A 53 0.361 14.542 -9.688 1.00 0.00 C ATOM 800 CD LYS A 53 0.106 14.716 -11.175 1.00 0.00 C ATOM 801 CE LYS A 53 0.497 16.104 -11.645 1.00 0.00 C ATOM 802 NZ LYS A 53 0.121 16.344 -13.064 1.00 0.00 N ATOM 0 H LYS A 53 1.866 13.173 -7.677 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.842 13.929 -7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.582 12.419 -9.549 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.081 12.963 -9.647 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.153 15.328 -9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.426 14.653 -9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.671 13.969 -11.732 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.949 14.542 -11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.015 16.849 -11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.573 16.235 -11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.407 17.305 -13.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.601 15.650 -13.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.909 16.245 -13.172 1.00 0.00 H new ATOM 816 N ASP A 54 -0.160 10.696 -7.280 1.00 0.00 N ATOM 817 CA ASP A 54 -0.686 9.399 -6.844 1.00 0.00 C ATOM 818 C ASP A 54 -1.191 9.503 -5.419 1.00 0.00 C ATOM 819 O ASP A 54 -2.268 9.011 -5.083 1.00 0.00 O ATOM 820 CB ASP A 54 0.391 8.304 -6.902 1.00 0.00 C ATOM 821 CG ASP A 54 0.941 8.057 -8.291 1.00 0.00 C ATOM 822 OD1 ASP A 54 0.241 7.434 -9.114 1.00 0.00 O ATOM 823 OD2 ASP A 54 2.088 8.467 -8.562 1.00 0.00 O ATOM 0 H ASP A 54 0.816 10.678 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.497 9.130 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.212 8.580 -6.241 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.029 7.374 -6.518 1.00 0.00 H new ATOM 828 N VAL A 55 -0.399 10.173 -4.603 1.00 0.00 N ATOM 829 CA VAL A 55 -0.675 10.329 -3.188 1.00 0.00 C ATOM 830 C VAL A 55 -1.943 11.139 -2.936 1.00 0.00 C ATOM 831 O VAL A 55 -2.696 10.853 -2.007 1.00 0.00 O ATOM 832 CB VAL A 55 0.516 11.011 -2.499 1.00 0.00 C ATOM 833 CG1 VAL A 55 0.249 11.199 -1.022 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.780 10.202 -2.720 1.00 0.00 C ATOM 0 H VAL A 55 0.462 10.628 -4.907 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.830 9.333 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 55 0.653 11.998 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.107 11.684 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.636 11.821 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.084 10.228 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.618 10.695 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.650 9.203 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.981 10.126 -3.789 1.00 0.00 H new ATOM 844 N ASN A 56 -2.175 12.148 -3.762 1.00 0.00 N ATOM 845 CA ASN A 56 -3.340 13.011 -3.594 1.00 0.00 C ATOM 846 C ASN A 56 -4.594 12.367 -4.168 1.00 0.00 C ATOM 847 O ASN A 56 -5.710 12.766 -3.838 1.00 0.00 O ATOM 848 CB ASN A 56 -3.112 14.379 -4.236 1.00 0.00 C ATOM 849 CG ASN A 56 -2.341 15.322 -3.333 1.00 0.00 C ATOM 850 OD1 ASN A 56 -2.929 16.078 -2.561 1.00 0.00 O ATOM 851 ND2 ASN A 56 -1.022 15.288 -3.419 1.00 0.00 N ATOM 0 H ASN A 56 -1.577 12.391 -4.552 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.485 13.151 -2.523 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.568 14.252 -5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.075 14.825 -4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.457 15.902 -2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.570 14.647 -4.071 1.00 0.00 H new ATOM 858 N ILE A 57 -4.410 11.384 -5.037 1.00 0.00 N ATOM 859 CA ILE A 57 -5.533 10.635 -5.575 1.00 0.00 C ATOM 860 C ILE A 57 -5.910 9.513 -4.616 1.00 0.00 C ATOM 861 O ILE A 57 -7.046 9.445 -4.150 1.00 0.00 O ATOM 862 CB ILE A 57 -5.222 10.052 -6.975 1.00 0.00 C ATOM 863 CG1 ILE A 57 -4.966 11.180 -7.982 1.00 0.00 C ATOM 864 CG2 ILE A 57 -6.360 9.162 -7.458 1.00 0.00 C ATOM 865 CD1 ILE A 57 -6.134 12.132 -8.152 1.00 0.00 C ATOM 0 H ILE A 57 -3.497 11.088 -5.383 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.370 11.324 -5.685 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.321 9.443 -6.895 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.092 11.747 -7.662 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.724 10.741 -8.950 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.118 8.764 -8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.499 8.338 -6.758 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.278 9.746 -7.518 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.874 12.900 -8.880 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.006 11.580 -8.503 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.363 12.601 -7.195 1.00 0.00 H new ATOM 877 N GLY A 58 -4.945 8.645 -4.321 1.00 0.00 N ATOM 878 CA GLY A 58 -5.161 7.573 -3.371 1.00 0.00 C ATOM 879 C GLY A 58 -5.578 8.084 -2.007 1.00 0.00 C ATOM 880 O GLY A 58 -4.925 8.953 -1.429 1.00 0.00 O ATOM 0 H GLY A 58 -4.010 8.668 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.929 6.901 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.246 6.989 -3.273 1.00 0.00 H new ATOM 884 N GLU A 59 -6.658 7.535 -1.485 1.00 0.00 N ATOM 885 CA GLU A 59 -7.216 8.002 -0.228 1.00 0.00 C ATOM 886 C GLU A 59 -6.536 7.320 0.947 1.00 0.00 C ATOM 887 O GLU A 59 -5.903 7.973 1.775 1.00 0.00 O ATOM 888 CB GLU A 59 -8.721 7.744 -0.194 1.00 0.00 C ATOM 889 CG GLU A 59 -9.462 8.394 -1.349 1.00 0.00 C ATOM 890 CD GLU A 59 -10.949 8.133 -1.313 1.00 0.00 C ATOM 891 OE1 GLU A 59 -11.375 7.052 -1.764 1.00 0.00 O ATOM 892 OE2 GLU A 59 -11.698 9.009 -0.829 1.00 0.00 O ATOM 0 H GLU A 59 -7.169 6.763 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.041 9.075 -0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.900 6.669 -0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.127 8.117 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.286 9.470 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.056 8.023 -2.290 1.00 0.00 H new ATOM 899 N VAL A 60 -6.633 6.000 0.989 1.00 0.00 N ATOM 900 CA VAL A 60 -6.079 5.236 2.094 1.00 0.00 C ATOM 901 C VAL A 60 -4.672 4.758 1.763 1.00 0.00 C ATOM 902 O VAL A 60 -4.384 4.377 0.625 1.00 0.00 O ATOM 903 CB VAL A 60 -6.967 4.024 2.462 1.00 0.00 C ATOM 904 CG1 VAL A 60 -8.292 4.490 3.044 1.00 0.00 C ATOM 905 CG2 VAL A 60 -7.203 3.132 1.250 1.00 0.00 C ATOM 0 H VAL A 60 -7.090 5.437 0.271 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.043 5.902 2.956 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.442 3.439 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.903 3.624 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.108 5.079 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.816 5.102 2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.830 2.288 1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.701 3.705 0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.247 2.764 0.877 1.00 0.00 H new ATOM 915 N VAL A 61 -3.800 4.793 2.757 1.00 0.00 N ATOM 916 CA VAL A 61 -2.411 4.410 2.569 1.00 0.00 C ATOM 917 C VAL A 61 -2.126 3.096 3.274 1.00 0.00 C ATOM 918 O VAL A 61 -2.176 3.019 4.499 1.00 0.00 O ATOM 919 CB VAL A 61 -1.445 5.477 3.128 1.00 0.00 C ATOM 920 CG1 VAL A 61 -0.015 5.167 2.715 1.00 0.00 C ATOM 921 CG2 VAL A 61 -1.850 6.872 2.676 1.00 0.00 C ATOM 0 H VAL A 61 -4.031 5.084 3.707 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.251 4.310 1.495 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.502 5.451 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.653 5.929 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.272 4.190 3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.056 5.160 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.153 7.604 3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.832 6.921 1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.856 7.092 3.032 1.00 0.00 H new ATOM 931 N ILE A 62 -1.836 2.066 2.501 1.00 0.00 N ATOM 932 CA ILE A 62 -1.497 0.773 3.069 1.00 0.00 C ATOM 933 C ILE A 62 0.011 0.646 3.210 1.00 0.00 C ATOM 934 O ILE A 62 0.741 0.622 2.218 1.00 0.00 O ATOM 935 CB ILE A 62 -2.039 -0.396 2.215 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.569 -0.347 2.160 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.564 -1.731 2.776 1.00 0.00 C ATOM 938 CD1 ILE A 62 -4.189 -1.467 1.348 1.00 0.00 C ATOM 0 H ILE A 62 -1.828 2.098 1.482 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.968 0.715 4.050 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.653 -0.295 1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.961 -0.388 3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.877 0.609 1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.955 -2.543 2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.474 -1.762 2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.923 -1.844 3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.274 -1.365 1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.827 -1.415 0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.912 -2.428 1.782 1.00 0.00 H new ATOM 950 N PHE A 63 0.479 0.592 4.442 1.00 0.00 N ATOM 951 CA PHE A 63 1.897 0.450 4.700 1.00 0.00 C ATOM 952 C PHE A 63 2.228 -0.955 5.161 1.00 0.00 C ATOM 953 O PHE A 63 1.975 -1.325 6.309 1.00 0.00 O ATOM 954 CB PHE A 63 2.384 1.466 5.735 1.00 0.00 C ATOM 955 CG PHE A 63 2.758 2.795 5.145 1.00 0.00 C ATOM 956 CD1 PHE A 63 3.270 2.874 3.861 1.00 0.00 C ATOM 957 CD2 PHE A 63 2.611 3.961 5.876 1.00 0.00 C ATOM 958 CE1 PHE A 63 3.625 4.090 3.318 1.00 0.00 C ATOM 959 CE2 PHE A 63 2.963 5.182 5.337 1.00 0.00 C ATOM 960 CZ PHE A 63 3.471 5.245 4.056 1.00 0.00 C ATOM 0 H PHE A 63 -0.102 0.644 5.279 1.00 0.00 H new ATOM 0 HA PHE A 63 2.415 0.643 3.761 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.602 1.616 6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.247 1.054 6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.393 1.973 3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.216 3.915 6.880 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.023 4.138 2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.841 6.085 5.916 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.748 6.198 3.631 1.00 0.00 H new ATOM 970 N ALA A 64 2.771 -1.740 4.246 1.00 0.00 N ATOM 971 CA ALA A 64 3.309 -3.042 4.583 1.00 0.00 C ATOM 972 C ALA A 64 4.821 -2.968 4.501 1.00 0.00 C ATOM 973 O ALA A 64 5.413 -3.191 3.441 1.00 0.00 O ATOM 974 CB ALA A 64 2.763 -4.108 3.647 1.00 0.00 C ATOM 0 H ALA A 64 2.850 -1.494 3.259 1.00 0.00 H new ATOM 0 HA ALA A 64 3.010 -3.318 5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.180 -5.078 3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.677 -4.144 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.040 -3.868 2.621 1.00 0.00 H new ATOM 980 N VAL A 65 5.448 -2.625 5.613 1.00 0.00 N ATOM 981 CA VAL A 65 6.865 -2.312 5.598 1.00 0.00 C ATOM 982 C VAL A 65 7.603 -2.916 6.782 1.00 0.00 C ATOM 983 O VAL A 65 7.007 -3.307 7.784 1.00 0.00 O ATOM 984 CB VAL A 65 7.113 -0.786 5.574 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.667 -0.186 4.246 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.396 -0.107 6.731 1.00 0.00 C ATOM 0 H VAL A 65 5.003 -2.557 6.528 1.00 0.00 H new ATOM 0 HA VAL A 65 7.256 -2.755 4.682 1.00 0.00 H new ATOM 0 HB VAL A 65 8.184 -0.616 5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.851 0.888 4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.228 -0.646 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.602 -0.371 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.583 0.966 6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.324 -0.291 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.766 -0.509 7.674 1.00 0.00 H new ATOM 996 N ASP A 66 8.910 -2.992 6.621 1.00 0.00 N ATOM 997 CA ASP A 66 9.820 -3.499 7.635 1.00 0.00 C ATOM 998 C ASP A 66 11.050 -2.593 7.697 1.00 0.00 C ATOM 999 O ASP A 66 11.940 -2.766 8.528 1.00 0.00 O ATOM 1000 CB ASP A 66 10.208 -4.941 7.281 1.00 0.00 C ATOM 1001 CG ASP A 66 11.320 -5.511 8.142 1.00 0.00 C ATOM 1002 OD1 ASP A 66 11.055 -5.874 9.306 1.00 0.00 O ATOM 1003 OD2 ASP A 66 12.462 -5.618 7.640 1.00 0.00 O ATOM 0 H ASP A 66 9.380 -2.698 5.765 1.00 0.00 H new ATOM 0 HA ASP A 66 9.344 -3.501 8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.328 -5.577 7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.517 -4.977 6.236 1.00 0.00 H new ATOM 1008 N THR A 67 11.071 -1.602 6.814 1.00 0.00 N ATOM 1009 CA THR A 67 12.201 -0.699 6.694 1.00 0.00 C ATOM 1010 C THR A 67 11.701 0.730 6.420 1.00 0.00 C ATOM 1011 O THR A 67 10.496 0.986 6.502 1.00 0.00 O ATOM 1012 CB THR A 67 13.159 -1.183 5.580 1.00 0.00 C ATOM 1013 OG1 THR A 67 14.428 -0.541 5.701 1.00 0.00 O ATOM 1014 CG2 THR A 67 12.592 -0.926 4.191 1.00 0.00 C ATOM 0 H THR A 67 10.308 -1.405 6.166 1.00 0.00 H new ATOM 0 HA THR A 67 12.757 -0.692 7.631 1.00 0.00 H new ATOM 0 HB THR A 67 13.278 -2.259 5.704 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.024 -0.858 4.991 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.297 -1.281 3.439 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.646 -1.456 4.080 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.427 0.143 4.057 1.00 0.00 H new ATOM 1022 N LYS A 68 12.612 1.653 6.111 1.00 0.00 N ATOM 1023 CA LYS A 68 12.241 3.052 5.896 1.00 0.00 C ATOM 1024 C LYS A 68 11.508 3.240 4.572 1.00 0.00 C ATOM 1025 O LYS A 68 11.653 2.444 3.644 1.00 0.00 O ATOM 1026 CB LYS A 68 13.473 3.962 5.896 1.00 0.00 C ATOM 1027 CG LYS A 68 14.384 3.800 7.100 1.00 0.00 C ATOM 1028 CD LYS A 68 15.414 4.922 7.172 1.00 0.00 C ATOM 1029 CE LYS A 68 16.127 5.145 5.840 1.00 0.00 C ATOM 1030 NZ LYS A 68 16.920 3.963 5.416 1.00 0.00 N ATOM 0 H LYS A 68 13.608 1.459 6.004 1.00 0.00 H new ATOM 0 HA LYS A 68 11.582 3.325 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.051 3.768 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.141 4.999 5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.787 3.793 8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.894 2.838 7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.921 5.845 7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.151 4.686 7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.390 5.379 5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.786 6.009 5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.384 4.164 4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.642 3.753 6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.290 3.143 5.309 1.00 0.00 H new ATOM 1044 N VAL A 69 10.729 4.310 4.498 1.00 0.00 N ATOM 1045 CA VAL A 69 10.069 4.705 3.264 1.00 0.00 C ATOM 1046 C VAL A 69 10.354 6.179 2.987 1.00 0.00 C ATOM 1047 O VAL A 69 10.045 7.039 3.808 1.00 0.00 O ATOM 1048 CB VAL A 69 8.541 4.489 3.327 1.00 0.00 C ATOM 1049 CG1 VAL A 69 7.893 4.867 2.005 1.00 0.00 C ATOM 1050 CG2 VAL A 69 8.209 3.051 3.692 1.00 0.00 C ATOM 0 H VAL A 69 10.538 4.926 5.289 1.00 0.00 H new ATOM 0 HA VAL A 69 10.463 4.079 2.464 1.00 0.00 H new ATOM 0 HB VAL A 69 8.140 5.137 4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.817 4.708 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.093 5.917 1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.305 4.248 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.127 2.926 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.626 2.380 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.636 2.815 4.667 1.00 0.00 H new ATOM 1060 N ARG A 70 10.954 6.467 1.841 1.00 0.00 N ATOM 1061 CA ARG A 70 11.347 7.833 1.506 1.00 0.00 C ATOM 1062 C ARG A 70 10.138 8.682 1.116 1.00 0.00 C ATOM 1063 O ARG A 70 10.084 9.872 1.417 1.00 0.00 O ATOM 1064 CB ARG A 70 12.379 7.826 0.376 1.00 0.00 C ATOM 1065 CG ARG A 70 13.618 7.008 0.696 1.00 0.00 C ATOM 1066 CD ARG A 70 14.651 7.101 -0.411 1.00 0.00 C ATOM 1067 NE ARG A 70 15.231 8.439 -0.511 1.00 0.00 N ATOM 1068 CZ ARG A 70 15.395 9.098 -1.658 1.00 0.00 C ATOM 1069 NH1 ARG A 70 14.955 8.574 -2.797 1.00 0.00 N ATOM 1070 NH2 ARG A 70 15.979 10.291 -1.660 1.00 0.00 N ATOM 0 H ARG A 70 11.180 5.775 1.126 1.00 0.00 H new ATOM 0 HA ARG A 70 11.795 8.279 2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.915 7.431 -0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.676 8.852 0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.054 7.358 1.632 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.337 5.965 0.846 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.444 6.375 -0.228 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.188 6.835 -1.361 1.00 0.00 H new ATOM 0 HE ARG A 70 15.529 8.897 0.350 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.491 7.666 -2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.082 9.080 -3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 70 16.302 10.702 -0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.105 10.796 -2.537 1.00 0.00 H new ATOM 1084 N ASN A 71 9.164 8.066 0.458 1.00 0.00 N ATOM 1085 CA ASN A 71 7.959 8.779 0.031 1.00 0.00 C ATOM 1086 C ASN A 71 6.945 8.889 1.164 1.00 0.00 C ATOM 1087 O ASN A 71 5.937 9.584 1.033 1.00 0.00 O ATOM 1088 CB ASN A 71 7.320 8.103 -1.190 1.00 0.00 C ATOM 1089 CG ASN A 71 8.106 8.357 -2.464 1.00 0.00 C ATOM 1090 OD1 ASN A 71 8.720 9.414 -2.628 1.00 0.00 O ATOM 1091 ND2 ASN A 71 8.103 7.397 -3.372 1.00 0.00 N ATOM 0 H ASN A 71 9.181 7.077 0.207 1.00 0.00 H new ATOM 0 HA ASN A 71 8.263 9.787 -0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.253 7.029 -1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.301 8.470 -1.315 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.620 7.517 -4.243 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.584 6.536 -3.202 1.00 0.00 H new ATOM 1098 N LYS A 72 7.227 8.218 2.278 1.00 0.00 N ATOM 1099 CA LYS A 72 6.308 8.150 3.417 1.00 0.00 C ATOM 1100 C LYS A 72 5.910 9.540 3.915 1.00 0.00 C ATOM 1101 O LYS A 72 4.809 9.729 4.429 1.00 0.00 O ATOM 1102 CB LYS A 72 6.954 7.361 4.561 1.00 0.00 C ATOM 1103 CG LYS A 72 6.052 7.164 5.770 1.00 0.00 C ATOM 1104 CD LYS A 72 6.785 6.471 6.909 1.00 0.00 C ATOM 1105 CE LYS A 72 7.955 7.306 7.408 1.00 0.00 C ATOM 1106 NZ LYS A 72 8.646 6.665 8.557 1.00 0.00 N ATOM 0 H LYS A 72 8.098 7.706 2.419 1.00 0.00 H new ATOM 0 HA LYS A 72 5.403 7.645 3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.259 6.384 4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.860 7.878 4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.682 8.131 6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.182 6.573 5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.092 6.286 7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.147 5.500 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.666 7.456 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.597 8.292 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.436 7.266 8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.975 6.544 9.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.011 5.735 8.268 1.00 0.00 H new ATOM 1120 N GLU A 73 6.811 10.500 3.735 1.00 0.00 N ATOM 1121 CA GLU A 73 6.632 11.864 4.238 1.00 0.00 C ATOM 1122 C GLU A 73 5.285 12.483 3.842 1.00 0.00 C ATOM 1123 O GLU A 73 4.719 13.268 4.596 1.00 0.00 O ATOM 1124 CB GLU A 73 7.767 12.759 3.734 1.00 0.00 C ATOM 1125 CG GLU A 73 7.785 12.924 2.221 1.00 0.00 C ATOM 1126 CD GLU A 73 8.864 13.870 1.744 1.00 0.00 C ATOM 1127 OE1 GLU A 73 8.853 15.050 2.152 1.00 0.00 O ATOM 1128 OE2 GLU A 73 9.715 13.445 0.940 1.00 0.00 O ATOM 0 H GLU A 73 7.689 10.357 3.236 1.00 0.00 H new ATOM 0 HA GLU A 73 6.649 11.798 5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.677 13.741 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.720 12.340 4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.932 11.949 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.814 13.292 1.889 1.00 0.00 H new ATOM 1135 N ARG A 74 4.778 12.141 2.663 1.00 0.00 N ATOM 1136 CA ARG A 74 3.566 12.778 2.151 1.00 0.00 C ATOM 1137 C ARG A 74 2.295 12.078 2.631 1.00 0.00 C ATOM 1138 O ARG A 74 1.202 12.632 2.536 1.00 0.00 O ATOM 1139 CB ARG A 74 3.612 12.827 0.627 1.00 0.00 C ATOM 1140 CG ARG A 74 3.729 11.466 -0.033 1.00 0.00 C ATOM 1141 CD ARG A 74 4.584 11.549 -1.285 1.00 0.00 C ATOM 1142 NE ARG A 74 5.991 11.822 -0.976 1.00 0.00 N ATOM 1143 CZ ARG A 74 6.774 12.635 -1.697 1.00 0.00 C ATOM 1144 NH1 ARG A 74 6.285 13.265 -2.756 1.00 0.00 N ATOM 1145 NH2 ARG A 74 8.041 12.825 -1.348 1.00 0.00 N ATOM 0 H ARG A 74 5.181 11.434 2.048 1.00 0.00 H new ATOM 0 HA ARG A 74 3.533 13.794 2.546 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.710 13.319 0.263 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.458 13.442 0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.167 10.754 0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.737 11.093 -0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.510 10.612 -1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.198 12.333 -1.936 1.00 0.00 H new ATOM 0 HE ARG A 74 6.399 11.364 -0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.310 13.131 -3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.884 13.883 -3.303 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.421 12.351 -0.529 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.634 13.445 -1.899 1.00 0.00 H new ATOM 1159 N PHE A 75 2.434 10.860 3.140 1.00 0.00 N ATOM 1160 CA PHE A 75 1.307 10.135 3.704 1.00 0.00 C ATOM 1161 C PHE A 75 1.158 10.461 5.188 1.00 0.00 C ATOM 1162 O PHE A 75 0.299 9.906 5.873 1.00 0.00 O ATOM 1163 CB PHE A 75 1.511 8.634 3.525 1.00 0.00 C ATOM 1164 CG PHE A 75 1.874 8.231 2.122 1.00 0.00 C ATOM 1165 CD1 PHE A 75 0.957 8.336 1.091 1.00 0.00 C ATOM 1166 CD2 PHE A 75 3.139 7.746 1.839 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.296 7.961 -0.194 1.00 0.00 C ATOM 1168 CE2 PHE A 75 3.484 7.369 0.556 1.00 0.00 C ATOM 1169 CZ PHE A 75 2.561 7.478 -0.462 1.00 0.00 C ATOM 0 H PHE A 75 3.319 10.354 3.173 1.00 0.00 H new ATOM 0 HA PHE A 75 0.400 10.439 3.182 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.297 8.301 4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.597 8.116 3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.034 8.715 1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.867 7.661 2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.571 8.046 -0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.474 6.990 0.351 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.827 7.186 -1.467 1.00 0.00 H new ATOM 1179 N ASP A 76 2.003 11.374 5.660 1.00 0.00 N ATOM 1180 CA ASP A 76 2.047 11.762 7.068 1.00 0.00 C ATOM 1181 C ASP A 76 0.685 12.248 7.556 1.00 0.00 C ATOM 1182 O ASP A 76 0.165 11.764 8.562 1.00 0.00 O ATOM 1183 CB ASP A 76 3.099 12.859 7.263 1.00 0.00 C ATOM 1184 CG ASP A 76 3.249 13.293 8.707 1.00 0.00 C ATOM 1185 OD1 ASP A 76 4.035 12.660 9.442 1.00 0.00 O ATOM 1186 OD2 ASP A 76 2.607 14.292 9.101 1.00 0.00 O ATOM 0 H ASP A 76 2.678 11.867 5.076 1.00 0.00 H new ATOM 0 HA ASP A 76 2.316 10.885 7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.061 12.500 6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.829 13.724 6.657 1.00 0.00 H new ATOM 1191 N GLY A 77 0.102 13.192 6.828 1.00 0.00 N ATOM 1192 CA GLY A 77 -1.193 13.726 7.205 1.00 0.00 C ATOM 1193 C GLY A 77 -2.337 13.065 6.459 1.00 0.00 C ATOM 1194 O GLY A 77 -3.319 13.722 6.109 1.00 0.00 O ATOM 0 H GLY A 77 0.503 13.598 5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.338 13.593 8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.210 14.799 7.012 1.00 0.00 H new ATOM 1198 N LYS A 78 -2.211 11.769 6.215 1.00 0.00 N ATOM 1199 CA LYS A 78 -3.241 11.011 5.516 1.00 0.00 C ATOM 1200 C LYS A 78 -3.600 9.758 6.309 1.00 0.00 C ATOM 1201 O LYS A 78 -2.960 9.455 7.316 1.00 0.00 O ATOM 1202 CB LYS A 78 -2.775 10.647 4.102 1.00 0.00 C ATOM 1203 CG LYS A 78 -2.822 11.819 3.127 1.00 0.00 C ATOM 1204 CD LYS A 78 -2.248 11.464 1.761 1.00 0.00 C ATOM 1205 CE LYS A 78 -2.909 10.231 1.157 1.00 0.00 C ATOM 1206 NZ LYS A 78 -4.380 10.394 0.989 1.00 0.00 N ATOM 0 H LYS A 78 -1.400 11.216 6.493 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.133 11.631 5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.755 10.266 4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.399 9.840 3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.854 12.149 3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.265 12.658 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.376 12.310 1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.176 11.290 1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.458 10.019 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.713 9.369 1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.653 10.113 0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.877 9.794 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.639 11.389 1.146 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.618 9.033 5.862 1.00 0.00 N ATOM 1221 CA VAL A 79 -5.085 7.860 6.594 1.00 0.00 C ATOM 1222 C VAL A 79 -4.222 6.636 6.276 1.00 0.00 C ATOM 1223 O VAL A 79 -4.126 6.202 5.127 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.581 7.567 6.324 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -6.861 7.472 4.837 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -7.024 6.297 7.041 1.00 0.00 C ATOM 0 H VAL A 79 -5.133 9.233 5.004 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.986 8.082 7.656 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.160 8.401 6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.919 7.266 4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.599 8.415 4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.266 6.667 4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.079 6.112 6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.432 5.453 6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.879 6.416 8.115 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.593 6.090 7.308 1.00 0.00 N ATOM 1237 CA VAL A 80 -2.632 5.009 7.143 1.00 0.00 C ATOM 1238 C VAL A 80 -3.131 3.704 7.764 1.00 0.00 C ATOM 1239 O VAL A 80 -3.653 3.689 8.879 1.00 0.00 O ATOM 1240 CB VAL A 80 -1.272 5.383 7.776 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -0.294 4.221 7.698 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -0.689 6.615 7.103 1.00 0.00 C ATOM 0 H VAL A 80 -3.733 6.381 8.275 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.509 4.858 6.071 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.443 5.611 8.828 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.654 4.512 8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.704 3.364 8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.130 3.953 6.654 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.268 6.862 7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.541 6.414 6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.375 7.453 7.221 1.00 0.00 H new ATOM 1252 N LEU A 81 -2.967 2.618 7.020 1.00 0.00 N ATOM 1253 CA LEU A 81 -3.265 1.280 7.504 1.00 0.00 C ATOM 1254 C LEU A 81 -1.946 0.516 7.650 1.00 0.00 C ATOM 1255 O LEU A 81 -1.244 0.280 6.665 1.00 0.00 O ATOM 1256 CB LEU A 81 -4.234 0.580 6.528 1.00 0.00 C ATOM 1257 CG LEU A 81 -4.798 -0.784 6.961 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -3.795 -1.900 6.720 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -5.221 -0.754 8.421 1.00 0.00 C ATOM 0 H LEU A 81 -2.622 2.642 6.060 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.755 1.316 8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.073 1.251 6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.719 0.447 5.577 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.677 -0.986 6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.225 -2.850 7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.552 -1.948 5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.888 -1.704 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.617 -1.729 8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.359 -0.516 9.045 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.991 0.005 8.561 1.00 0.00 H new ATOM 1271 N GLU A 82 -1.608 0.161 8.884 1.00 0.00 N ATOM 1272 CA GLU A 82 -0.316 -0.446 9.191 1.00 0.00 C ATOM 1273 C GLU A 82 -0.419 -1.964 9.235 1.00 0.00 C ATOM 1274 O GLU A 82 -1.175 -2.518 10.037 1.00 0.00 O ATOM 1275 CB GLU A 82 0.184 0.059 10.541 1.00 0.00 C ATOM 1276 CG GLU A 82 1.602 -0.372 10.874 1.00 0.00 C ATOM 1277 CD GLU A 82 2.635 0.651 10.456 1.00 0.00 C ATOM 1278 OE1 GLU A 82 2.504 1.828 10.865 1.00 0.00 O ATOM 1279 OE2 GLU A 82 3.592 0.281 9.746 1.00 0.00 O ATOM 0 H GLU A 82 -2.215 0.284 9.694 1.00 0.00 H new ATOM 0 HA GLU A 82 0.383 -0.166 8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.134 1.148 10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.487 -0.298 11.322 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.682 -0.546 11.947 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.815 -1.320 10.380 1.00 0.00 H new ATOM 1286 N VAL A 83 0.344 -2.628 8.381 1.00 0.00 N ATOM 1287 CA VAL A 83 0.429 -4.084 8.386 1.00 0.00 C ATOM 1288 C VAL A 83 1.858 -4.531 8.101 1.00 0.00 C ATOM 1289 O VAL A 83 2.635 -3.793 7.495 1.00 0.00 O ATOM 1290 CB VAL A 83 -0.514 -4.741 7.348 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.960 -4.694 7.818 1.00 0.00 C ATOM 1292 CG2 VAL A 83 -0.370 -4.073 5.988 1.00 0.00 C ATOM 0 H VAL A 83 0.919 -2.179 7.668 1.00 0.00 H new ATOM 0 HA VAL A 83 0.117 -4.408 9.379 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.225 -5.787 7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.601 -5.162 7.071 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.053 -5.230 8.763 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.264 -3.657 7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.042 -4.551 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.623 -3.016 6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.658 -4.173 5.641 1.00 0.00 H new ATOM 1302 N PRO A 84 2.237 -5.729 8.558 1.00 0.00 N ATOM 1303 CA PRO A 84 3.530 -6.318 8.220 1.00 0.00 C ATOM 1304 C PRO A 84 3.580 -6.700 6.746 1.00 0.00 C ATOM 1305 O PRO A 84 2.549 -7.014 6.150 1.00 0.00 O ATOM 1306 CB PRO A 84 3.612 -7.574 9.101 1.00 0.00 C ATOM 1307 CG PRO A 84 2.524 -7.418 10.110 1.00 0.00 C ATOM 1308 CD PRO A 84 1.457 -6.598 9.445 1.00 0.00 C ATOM 0 HA PRO A 84 4.358 -5.629 8.388 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.473 -8.479 8.510 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.587 -7.654 9.582 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.135 -8.389 10.418 1.00 0.00 H new ATOM 0 HG3 PRO A 84 2.893 -6.923 11.008 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.754 -7.219 8.890 1.00 0.00 H new ATOM 0 HD3 PRO A 84 0.875 -6.025 10.167 1.00 0.00 H new ATOM 1316 N VAL A 85 4.771 -6.689 6.163 1.00 0.00 N ATOM 1317 CA VAL A 85 4.938 -6.985 4.741 1.00 0.00 C ATOM 1318 C VAL A 85 4.498 -8.419 4.424 1.00 0.00 C ATOM 1319 O VAL A 85 4.126 -8.735 3.295 1.00 0.00 O ATOM 1320 CB VAL A 85 6.407 -6.766 4.298 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.327 -7.801 4.926 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.531 -6.779 2.780 1.00 0.00 C ATOM 0 H VAL A 85 5.641 -6.478 6.652 1.00 0.00 H new ATOM 0 HA VAL A 85 4.303 -6.297 4.183 1.00 0.00 H new ATOM 0 HB VAL A 85 6.717 -5.782 4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.351 -7.624 4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.275 -7.723 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.015 -8.799 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.572 -6.623 2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.191 -7.741 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.918 -5.983 2.358 1.00 0.00 H new ATOM 1332 N SER A 86 4.518 -9.269 5.442 1.00 0.00 N ATOM 1333 CA SER A 86 4.136 -10.665 5.296 1.00 0.00 C ATOM 1334 C SER A 86 2.616 -10.827 5.154 1.00 0.00 C ATOM 1335 O SER A 86 2.135 -11.854 4.670 1.00 0.00 O ATOM 1336 CB SER A 86 4.642 -11.452 6.507 1.00 0.00 C ATOM 1337 OG SER A 86 6.036 -11.247 6.699 1.00 0.00 O ATOM 0 H SER A 86 4.798 -9.011 6.388 1.00 0.00 H new ATOM 0 HA SER A 86 4.589 -11.053 4.384 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.099 -11.143 7.400 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.443 -12.514 6.365 1.00 0.00 H new ATOM 0 HG SER A 86 6.337 -11.758 7.479 1.00 0.00 H new ATOM 1343 N ALA A 87 1.865 -9.812 5.571 1.00 0.00 N ATOM 1344 CA ALA A 87 0.406 -9.897 5.601 1.00 0.00 C ATOM 1345 C ALA A 87 -0.223 -9.872 4.197 1.00 0.00 C ATOM 1346 O ALA A 87 -0.964 -10.791 3.848 1.00 0.00 O ATOM 1347 CB ALA A 87 -0.176 -8.794 6.475 1.00 0.00 C ATOM 0 H ALA A 87 2.241 -8.920 5.893 1.00 0.00 H new ATOM 0 HA ALA A 87 0.155 -10.864 6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.263 -8.873 6.485 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.205 -8.896 7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.113 -7.822 6.075 1.00 0.00 H new ATOM 1353 N PRO A 88 0.057 -8.840 3.359 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.595 -8.687 2.046 1.00 0.00 C ATOM 1355 C PRO A 88 -0.294 -9.832 1.080 1.00 0.00 C ATOM 1356 O PRO A 88 -0.963 -9.984 0.063 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.020 -7.374 1.499 1.00 0.00 C ATOM 1358 CG PRO A 88 0.527 -6.667 2.689 1.00 0.00 C ATOM 1359 CD PRO A 88 1.013 -7.746 3.605 1.00 0.00 C ATOM 0 HA PRO A 88 -1.680 -8.690 2.151 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.758 -7.562 0.759 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.791 -6.780 1.007 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.338 -5.995 2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.238 -6.058 3.170 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.036 -8.043 3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.003 -7.427 4.647 1.00 0.00 H new ATOM 1367 N ILE A 89 0.709 -10.636 1.394 1.00 0.00 N ATOM 1368 CA ILE A 89 1.055 -11.764 0.545 1.00 0.00 C ATOM 1369 C ILE A 89 0.021 -12.881 0.688 1.00 0.00 C ATOM 1370 O ILE A 89 -0.426 -13.465 -0.301 1.00 0.00 O ATOM 1371 CB ILE A 89 2.458 -12.319 0.871 1.00 0.00 C ATOM 1372 CG1 ILE A 89 3.510 -11.213 0.759 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.803 -13.476 -0.057 1.00 0.00 C ATOM 1374 CD1 ILE A 89 4.924 -11.679 1.041 1.00 0.00 C ATOM 0 H ILE A 89 1.293 -10.530 2.223 1.00 0.00 H new ATOM 0 HA ILE A 89 1.061 -11.401 -0.483 1.00 0.00 H new ATOM 0 HB ILE A 89 2.452 -12.689 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.471 -10.789 -0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.256 -10.412 1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.795 -13.855 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.070 -14.273 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.791 -13.130 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.611 -10.838 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.981 -12.076 2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.199 -12.458 0.330 1.00 0.00 H new ATOM 1386 N LYS A 90 -0.360 -13.174 1.923 1.00 0.00 N ATOM 1387 CA LYS A 90 -1.307 -14.247 2.191 1.00 0.00 C ATOM 1388 C LYS A 90 -2.734 -13.715 2.339 1.00 0.00 C ATOM 1389 O LYS A 90 -3.700 -14.401 1.996 1.00 0.00 O ATOM 1390 CB LYS A 90 -0.892 -15.028 3.447 1.00 0.00 C ATOM 1391 CG LYS A 90 -0.831 -14.186 4.716 1.00 0.00 C ATOM 1392 CD LYS A 90 -0.452 -15.024 5.931 1.00 0.00 C ATOM 1393 CE LYS A 90 0.998 -15.486 5.878 1.00 0.00 C ATOM 1394 NZ LYS A 90 1.952 -14.347 5.960 1.00 0.00 N ATOM 0 H LYS A 90 -0.029 -12.685 2.754 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.293 -14.922 1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.595 -15.846 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.086 -15.477 3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.104 -13.384 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.799 -13.714 4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.613 -14.441 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.107 -15.893 5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.188 -16.177 6.699 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.169 -16.036 4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.924 -14.712 6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.859 -13.754 5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.741 -13.777 6.804 1.00 0.00 H new ATOM 1408 N ASP A 91 -2.861 -12.491 2.837 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.163 -11.914 3.163 1.00 0.00 C ATOM 1410 C ASP A 91 -4.391 -10.579 2.459 1.00 0.00 C ATOM 1411 O ASP A 91 -4.919 -9.645 3.056 1.00 0.00 O ATOM 1412 CB ASP A 91 -4.289 -11.717 4.677 1.00 0.00 C ATOM 1413 CG ASP A 91 -4.623 -12.995 5.421 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -5.642 -13.639 5.086 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -3.874 -13.357 6.354 1.00 0.00 O ATOM 0 H ASP A 91 -2.072 -11.873 3.026 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.922 -12.614 2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.353 -11.314 5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.062 -10.975 4.877 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.015 -10.497 1.188 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.145 -9.254 0.420 1.00 0.00 C ATOM 1422 C ALA A 92 -5.562 -8.685 0.485 1.00 0.00 C ATOM 1423 O ALA A 92 -5.753 -7.519 0.833 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.754 -9.492 -1.029 1.00 0.00 C ATOM 0 H ALA A 92 -3.617 -11.275 0.663 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.472 -8.523 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.854 -8.563 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.720 -9.834 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.407 -10.250 -1.462 1.00 0.00 H new ATOM 1430 N GLU A 93 -6.553 -9.516 0.175 1.00 0.00 N ATOM 1431 CA GLU A 93 -7.953 -9.091 0.193 1.00 0.00 C ATOM 1432 C GLU A 93 -8.385 -8.653 1.595 1.00 0.00 C ATOM 1433 O GLU A 93 -9.276 -7.814 1.746 1.00 0.00 O ATOM 1434 CB GLU A 93 -8.851 -10.224 -0.316 1.00 0.00 C ATOM 1435 CG GLU A 93 -8.708 -10.489 -1.810 1.00 0.00 C ATOM 1436 CD GLU A 93 -9.245 -11.845 -2.232 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -10.473 -11.978 -2.433 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -8.433 -12.783 -2.377 1.00 0.00 O ATOM 0 H GLU A 93 -6.414 -10.490 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.056 -8.231 -0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.616 -11.137 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.890 -9.980 -0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.233 -9.710 -2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.656 -10.421 -2.085 1.00 0.00 H new ATOM 1445 N LYS A 94 -7.736 -9.206 2.615 1.00 0.00 N ATOM 1446 CA LYS A 94 -8.030 -8.851 4.001 1.00 0.00 C ATOM 1447 C LYS A 94 -7.488 -7.460 4.302 1.00 0.00 C ATOM 1448 O LYS A 94 -8.183 -6.619 4.870 1.00 0.00 O ATOM 1449 CB LYS A 94 -7.394 -9.859 4.962 1.00 0.00 C ATOM 1450 CG LYS A 94 -7.733 -11.310 4.662 1.00 0.00 C ATOM 1451 CD LYS A 94 -9.116 -11.689 5.155 1.00 0.00 C ATOM 1452 CE LYS A 94 -9.376 -13.174 4.955 1.00 0.00 C ATOM 1453 NZ LYS A 94 -8.323 -14.007 5.595 1.00 0.00 N ATOM 0 H LYS A 94 -7.000 -9.904 2.508 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.111 -8.864 4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.311 -9.738 4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.713 -9.626 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.673 -11.481 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.992 -11.959 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.211 -11.438 6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.868 -11.109 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.349 -13.433 5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.418 -13.396 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.632 -15.000 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.441 -13.931 5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.159 -13.673 6.566 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.241 -7.234 3.896 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.561 -5.961 4.112 1.00 0.00 C ATOM 1469 C VAL A 95 -6.303 -4.819 3.424 1.00 0.00 C ATOM 1470 O VAL A 95 -6.431 -3.724 3.973 1.00 0.00 O ATOM 1471 CB VAL A 95 -4.109 -6.018 3.588 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -3.392 -4.693 3.803 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -3.348 -7.152 4.258 1.00 0.00 C ATOM 0 H VAL A 95 -5.674 -7.928 3.408 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.547 -5.777 5.186 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.146 -6.207 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.373 -4.765 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.922 -3.902 3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.367 -4.461 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.327 -7.179 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.330 -6.991 5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.841 -8.099 4.041 1.00 0.00 H new ATOM 1483 N ILE A 96 -6.796 -5.088 2.223 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.559 -4.102 1.470 1.00 0.00 C ATOM 1485 C ILE A 96 -8.822 -3.707 2.226 1.00 0.00 C ATOM 1486 O ILE A 96 -9.105 -2.522 2.408 1.00 0.00 O ATOM 1487 CB ILE A 96 -7.933 -4.642 0.076 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -6.665 -4.962 -0.714 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -8.797 -3.637 -0.678 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -6.929 -5.677 -2.016 1.00 0.00 C ATOM 0 H ILE A 96 -6.681 -5.983 1.748 1.00 0.00 H new ATOM 0 HA ILE A 96 -6.930 -3.220 1.346 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.512 -5.557 0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.132 -4.034 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.009 -5.577 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.049 -4.038 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.712 -3.450 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.248 -2.703 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.984 -5.872 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.435 -6.622 -1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.560 -5.055 -2.651 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.564 -4.705 2.687 1.00 0.00 N ATOM 1503 CA ASN A 97 -10.788 -4.459 3.438 1.00 0.00 C ATOM 1504 C ASN A 97 -10.488 -3.791 4.773 1.00 0.00 C ATOM 1505 O ASN A 97 -11.309 -3.036 5.290 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.563 -5.759 3.663 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.425 -6.138 2.472 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -13.563 -5.685 2.348 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -11.899 -6.981 1.595 1.00 0.00 N ATOM 0 H ASN A 97 -9.340 -5.691 2.554 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.406 -3.784 2.846 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.860 -6.566 3.869 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.195 -5.653 4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.441 -7.276 0.783 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.952 -7.335 1.732 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.306 -4.059 5.321 1.00 0.00 N ATOM 1517 CA ALA A 98 -8.889 -3.446 6.576 1.00 0.00 C ATOM 1518 C ALA A 98 -8.770 -1.932 6.423 1.00 0.00 C ATOM 1519 O ALA A 98 -9.175 -1.174 7.301 1.00 0.00 O ATOM 1520 CB ALA A 98 -7.573 -4.046 7.050 1.00 0.00 C ATOM 0 H ALA A 98 -8.621 -4.697 4.915 1.00 0.00 H new ATOM 0 HA ALA A 98 -9.650 -3.651 7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.276 -3.577 7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.696 -5.118 7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.803 -3.873 6.298 1.00 0.00 H new ATOM 1526 N ALA A 99 -8.232 -1.497 5.287 1.00 0.00 N ATOM 1527 CA ALA A 99 -8.117 -0.074 4.993 1.00 0.00 C ATOM 1528 C ALA A 99 -9.501 0.569 4.935 1.00 0.00 C ATOM 1529 O ALA A 99 -9.717 1.663 5.457 1.00 0.00 O ATOM 1530 CB ALA A 99 -7.371 0.138 3.686 1.00 0.00 C ATOM 0 H ALA A 99 -7.870 -2.110 4.556 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.550 0.403 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.293 1.206 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.372 -0.290 3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.912 -0.349 2.875 1.00 0.00 H new ATOM 1536 N LEU A 100 -10.440 -0.135 4.313 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.825 0.321 4.235 1.00 0.00 C ATOM 1538 C LEU A 100 -12.483 0.301 5.614 1.00 0.00 C ATOM 1539 O LEU A 100 -13.365 1.112 5.910 1.00 0.00 O ATOM 1540 CB LEU A 100 -12.626 -0.560 3.266 1.00 0.00 C ATOM 1541 CG LEU A 100 -12.494 -0.219 1.783 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -11.068 -0.401 1.287 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -13.455 -1.061 0.956 1.00 0.00 C ATOM 0 H LEU A 100 -10.267 -1.029 3.853 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.821 1.346 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.317 -1.596 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.680 -0.501 3.539 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.752 0.833 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.016 -0.148 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.401 0.253 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.763 -1.438 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.348 -0.805 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.228 -2.118 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -14.478 -0.864 1.275 1.00 0.00 H new ATOM 1555 N ALA A 101 -12.043 -0.624 6.456 1.00 0.00 N ATOM 1556 CA ALA A 101 -12.573 -0.753 7.806 1.00 0.00 C ATOM 1557 C ALA A 101 -12.092 0.384 8.700 1.00 0.00 C ATOM 1558 O ALA A 101 -12.710 0.687 9.713 1.00 0.00 O ATOM 1559 CB ALA A 101 -12.181 -2.096 8.405 1.00 0.00 C ATOM 0 H ALA A 101 -11.315 -1.300 6.225 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.660 -0.697 7.745 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.585 -2.176 9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.582 -2.900 7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.094 -2.175 8.442 1.00 0.00 H new ATOM 1565 N LEU A 102 -10.993 1.016 8.320 1.00 0.00 N ATOM 1566 CA LEU A 102 -10.454 2.130 9.092 1.00 0.00 C ATOM 1567 C LEU A 102 -11.173 3.435 8.762 1.00 0.00 C ATOM 1568 O LEU A 102 -11.190 4.358 9.574 1.00 0.00 O ATOM 1569 CB LEU A 102 -8.948 2.277 8.846 1.00 0.00 C ATOM 1570 CG LEU A 102 -8.043 1.651 9.914 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -8.228 2.360 11.246 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -8.327 0.164 10.066 1.00 0.00 C ATOM 0 H LEU A 102 -10.457 0.780 7.485 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.619 1.912 10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.709 1.827 7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.711 3.338 8.770 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.008 1.769 9.592 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.579 1.904 11.994 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.971 3.414 11.136 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.267 2.271 11.564 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.672 -0.255 10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.366 0.020 10.361 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.147 -0.340 9.116 1.00 0.00 H new ATOM 1584 N ILE A 103 -11.770 3.511 7.579 1.00 0.00 N ATOM 1585 CA ILE A 103 -12.438 4.738 7.158 1.00 0.00 C ATOM 1586 C ILE A 103 -13.960 4.656 7.307 1.00 0.00 C ATOM 1587 O ILE A 103 -14.597 5.626 7.714 1.00 0.00 O ATOM 1588 CB ILE A 103 -12.077 5.125 5.704 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -12.350 3.964 4.739 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -10.620 5.562 5.625 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -12.113 4.310 3.283 1.00 0.00 C ATOM 0 H ILE A 103 -11.806 2.749 6.902 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.072 5.517 7.827 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.710 5.960 5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.714 3.121 5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.383 3.637 4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.376 5.832 4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.463 6.424 6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.977 4.743 5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -12.327 3.440 2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.768 5.132 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -11.074 4.608 3.144 1.00 0.00 H new ATOM 1603 N ASP A 104 -14.544 3.509 6.978 1.00 0.00 N ATOM 1604 CA ASP A 104 -16.001 3.364 7.032 1.00 0.00 C ATOM 1605 C ASP A 104 -16.423 2.233 7.961 1.00 0.00 C ATOM 1606 O ASP A 104 -17.528 2.255 8.501 1.00 0.00 O ATOM 1607 CB ASP A 104 -16.581 3.108 5.637 1.00 0.00 C ATOM 1608 CG ASP A 104 -16.432 4.289 4.700 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -17.101 5.323 4.920 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -15.671 4.179 3.718 1.00 0.00 O ATOM 0 H ASP A 104 -14.042 2.674 6.675 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.393 4.303 7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -16.086 2.241 5.199 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -17.638 2.859 5.731 1.00 0.00 H new