USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 667 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 73 MET CE :methyl -145:sc= -0.0194 (180deg=-0.256) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 59 TYR OH : rot -170:sc= 1.25 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -144:sc= 1.19 (180deg=0.567) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 170:sc= 1 (180deg=0) USER MOD Set 3.2: A 38 HIS : no HD1:sc= -0.431 K(o=0.57,f=-6.3!) USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 0.956 (180deg=0.91) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0722 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -147:sc= 0 (180deg=-0.198) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.709 K(o=0.71,f=-0.068) USER MOD Single : A 61 MET CE :methyl -176:sc= -1.32 (180deg=-1.4) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 69 GLN : amide:sc= 0.534 K(o=0.53,f=-0.0028) USER MOD Single : A 71 GLN : amide:sc= 0.902 K(o=0.9,f=-0.33) USER MOD Single : A 72 HIS : no HD1:sc= -0.0109 K(o=-0.011,f=-1.2!) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.191 USER MOD Single : A 88 GLN : amide:sc= 0.267 K(o=0.27,f=-0.24) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.327 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 154:sc= 0 (180deg=-0.491) USER MOD Single : A 104 LYS NZ :NH3+ 155:sc= 1.2 (180deg=0.883) USER MOD Single : A 105 ASN : amide:sc= 1.18 K(o=1.2,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 27 11.837 7.361 6.015 1.00 0.00 N ATOM 69 CA VAL A 27 12.390 7.482 4.648 1.00 0.00 C ATOM 70 C VAL A 27 13.889 7.822 4.646 1.00 0.00 C ATOM 71 O VAL A 27 14.406 8.356 5.629 1.00 0.00 O ATOM 72 CB VAL A 27 11.592 8.554 3.868 1.00 0.00 C ATOM 73 CG1 VAL A 27 11.692 9.922 4.542 1.00 0.00 C ATOM 74 CG2 VAL A 27 11.967 8.662 2.383 1.00 0.00 C ATOM 0 HA VAL A 27 12.290 6.512 4.160 1.00 0.00 H new ATOM 0 HB VAL A 27 10.557 8.212 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.121 10.652 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.290 9.860 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.736 10.231 4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.362 9.436 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.022 8.920 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.784 7.707 1.891 1.00 0.00 H new ATOM 84 N ARG A 28 14.568 7.579 3.514 1.00 0.00 N ATOM 85 CA ARG A 28 15.936 8.047 3.237 1.00 0.00 C ATOM 86 C ARG A 28 16.151 8.179 1.709 1.00 0.00 C ATOM 87 O ARG A 28 16.218 7.152 1.029 1.00 0.00 O ATOM 88 CB ARG A 28 16.923 7.025 3.853 1.00 0.00 C ATOM 89 CG ARG A 28 18.380 7.518 3.922 1.00 0.00 C ATOM 90 CD ARG A 28 18.707 8.235 5.239 1.00 0.00 C ATOM 91 NE ARG A 28 18.055 9.555 5.353 1.00 0.00 N ATOM 92 CZ ARG A 28 17.473 10.072 6.419 1.00 0.00 C ATOM 93 NH1 ARG A 28 17.436 9.453 7.568 1.00 0.00 N ATOM 94 NH2 ARG A 28 16.921 11.248 6.357 1.00 0.00 N ATOM 0 H ARG A 28 14.171 7.038 2.746 1.00 0.00 H new ATOM 0 HA ARG A 28 16.104 9.029 3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.588 6.774 4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.889 6.106 3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.052 6.668 3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.569 8.195 3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.396 7.608 6.075 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.787 8.361 5.320 1.00 0.00 H new ATOM 0 HE ARG A 28 18.054 10.133 4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.867 8.534 7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.976 9.888 8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.937 11.773 5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.472 11.645 7.182 1.00 0.00 H new ATOM 108 N PRO A 29 16.201 9.396 1.138 1.00 0.00 N ATOM 109 CA PRO A 29 16.446 9.614 -0.290 1.00 0.00 C ATOM 110 C PRO A 29 17.945 9.806 -0.606 1.00 0.00 C ATOM 111 O PRO A 29 18.742 10.191 0.252 1.00 0.00 O ATOM 112 CB PRO A 29 15.602 10.839 -0.642 1.00 0.00 C ATOM 113 CG PRO A 29 15.679 11.676 0.634 1.00 0.00 C ATOM 114 CD PRO A 29 15.848 10.661 1.768 1.00 0.00 C ATOM 0 HA PRO A 29 16.166 8.749 -0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.004 11.374 -1.502 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.575 10.567 -0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 29 16.518 12.371 0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.776 12.272 0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 29 16.626 10.980 2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.927 10.565 2.344 1.00 0.00 H new ATOM 122 N LYS A 30 18.321 9.555 -1.863 1.00 0.00 N ATOM 123 CA LYS A 30 19.692 9.634 -2.397 1.00 0.00 C ATOM 124 C LYS A 30 19.981 11.033 -2.954 1.00 0.00 C ATOM 125 O LYS A 30 19.087 11.670 -3.510 1.00 0.00 O ATOM 126 CB LYS A 30 19.882 8.500 -3.430 1.00 0.00 C ATOM 127 CG LYS A 30 21.355 8.071 -3.521 1.00 0.00 C ATOM 128 CD LYS A 30 21.611 6.940 -4.525 1.00 0.00 C ATOM 129 CE LYS A 30 21.586 7.446 -5.975 1.00 0.00 C ATOM 130 NZ LYS A 30 21.813 6.329 -6.936 1.00 0.00 N ATOM 0 H LYS A 30 17.646 9.277 -2.576 1.00 0.00 H new ATOM 0 HA LYS A 30 20.425 9.486 -1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.268 7.644 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.537 8.834 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.958 8.935 -3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.692 7.752 -2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.578 6.482 -4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.856 6.164 -4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.626 7.919 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.353 8.209 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.943 6.715 -7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.663 5.799 -6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.991 5.692 -6.929 1.00 0.00 H new ATOM 144 N LEU A 31 21.222 11.511 -2.848 1.00 0.00 N ATOM 145 CA LEU A 31 21.611 12.907 -3.135 1.00 0.00 C ATOM 146 C LEU A 31 21.131 13.485 -4.489 1.00 0.00 C ATOM 147 O LEU A 31 20.508 14.549 -4.464 1.00 0.00 O ATOM 148 CB LEU A 31 23.135 13.050 -2.923 1.00 0.00 C ATOM 149 CG LEU A 31 23.693 14.478 -3.098 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.094 15.469 -2.096 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.209 14.464 -2.902 1.00 0.00 C ATOM 0 H LEU A 31 22.008 10.931 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 31 21.071 13.534 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.380 12.702 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.646 12.389 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 31 23.425 14.801 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.521 16.458 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.013 15.513 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.321 15.142 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.601 15.473 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.443 14.104 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.665 13.804 -3.640 1.00 0.00 H new ATOM 163 N PRO A 32 21.316 12.823 -5.652 1.00 0.00 N ATOM 164 CA PRO A 32 20.878 13.366 -6.948 1.00 0.00 C ATOM 165 C PRO A 32 19.350 13.455 -7.132 1.00 0.00 C ATOM 166 O PRO A 32 18.895 14.060 -8.102 1.00 0.00 O ATOM 167 CB PRO A 32 21.529 12.469 -8.006 1.00 0.00 C ATOM 168 CG PRO A 32 21.727 11.142 -7.285 1.00 0.00 C ATOM 169 CD PRO A 32 22.063 11.587 -5.867 1.00 0.00 C ATOM 0 HA PRO A 32 21.190 14.407 -7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.891 12.357 -8.883 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.477 12.882 -8.352 1.00 0.00 H new ATOM 0 HG2 PRO A 32 20.829 10.525 -7.315 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.532 10.555 -7.728 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.778 10.826 -5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.134 11.752 -5.752 1.00 0.00 H new ATOM 177 N LEU A 33 18.559 12.894 -6.206 1.00 0.00 N ATOM 178 CA LEU A 33 17.097 13.030 -6.135 1.00 0.00 C ATOM 179 C LEU A 33 16.692 13.975 -4.991 1.00 0.00 C ATOM 180 O LEU A 33 15.855 14.847 -5.198 1.00 0.00 O ATOM 181 CB LEU A 33 16.492 11.610 -6.079 1.00 0.00 C ATOM 182 CG LEU A 33 14.957 11.449 -6.044 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.411 11.571 -4.622 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.202 12.431 -6.941 1.00 0.00 C ATOM 0 H LEU A 33 18.934 12.311 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 33 16.685 13.512 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.860 11.061 -6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.894 11.116 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 33 14.783 10.446 -6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.328 11.452 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.852 10.796 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.663 12.552 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.130 12.250 -6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.423 13.452 -6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.514 12.292 -7.976 1.00 0.00 H new ATOM 196 N LEU A 34 17.345 13.908 -3.824 1.00 0.00 N ATOM 197 CA LEU A 34 17.203 14.895 -2.739 1.00 0.00 C ATOM 198 C LEU A 34 17.322 16.335 -3.254 1.00 0.00 C ATOM 199 O LEU A 34 16.486 17.173 -2.931 1.00 0.00 O ATOM 200 CB LEU A 34 18.280 14.620 -1.684 1.00 0.00 C ATOM 201 CG LEU A 34 18.259 15.547 -0.454 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.049 16.837 -0.623 1.00 0.00 C ATOM 203 CD2 LEU A 34 16.860 15.861 0.073 1.00 0.00 C ATOM 0 H LEU A 34 17.997 13.156 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 34 16.209 14.793 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.174 13.590 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.258 14.699 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 34 18.770 14.946 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.980 17.428 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 34 20.094 16.600 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.640 17.408 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 34 16.936 16.519 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.279 16.354 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.364 14.935 0.364 1.00 0.00 H new ATOM 215 N LYS A 35 18.314 16.642 -4.097 1.00 0.00 N ATOM 216 CA LYS A 35 18.461 18.003 -4.638 1.00 0.00 C ATOM 217 C LYS A 35 17.300 18.428 -5.546 1.00 0.00 C ATOM 218 O LYS A 35 16.984 19.613 -5.576 1.00 0.00 O ATOM 219 CB LYS A 35 19.837 18.177 -5.302 1.00 0.00 C ATOM 220 CG LYS A 35 21.042 18.060 -4.354 1.00 0.00 C ATOM 221 CD LYS A 35 20.942 18.894 -3.066 1.00 0.00 C ATOM 222 CE LYS A 35 20.674 20.385 -3.294 1.00 0.00 C ATOM 223 NZ LYS A 35 20.731 21.162 -2.022 1.00 0.00 N ATOM 0 H LYS A 35 19.019 15.979 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 35 18.412 18.691 -3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.940 17.429 -6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.869 19.154 -5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.169 17.012 -4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.940 18.360 -4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.145 18.485 -2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.871 18.786 -2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.408 20.783 -3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 35 19.693 20.511 -3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.714 22.180 -2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.912 20.919 -1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.607 20.930 -1.512 1.00 0.00 H new ATOM 237 N ILE A 36 16.594 17.486 -6.179 1.00 0.00 N ATOM 238 CA ILE A 36 15.326 17.764 -6.880 1.00 0.00 C ATOM 239 C ILE A 36 14.249 18.133 -5.856 1.00 0.00 C ATOM 240 O ILE A 36 13.499 19.077 -6.070 1.00 0.00 O ATOM 241 CB ILE A 36 14.858 16.578 -7.747 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.982 15.998 -8.625 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.667 16.992 -8.627 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.778 16.999 -9.465 1.00 0.00 C ATOM 0 H ILE A 36 16.881 16.508 -6.223 1.00 0.00 H new ATOM 0 HA ILE A 36 15.498 18.600 -7.558 1.00 0.00 H new ATOM 0 HB ILE A 36 14.550 15.792 -7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.679 15.465 -7.979 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.543 15.261 -9.298 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.349 16.143 -9.232 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.841 17.315 -7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.965 17.812 -9.280 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.539 16.469 -10.038 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.105 17.517 -10.148 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.258 17.724 -8.808 1.00 0.00 H new ATOM 256 N LEU A 37 14.211 17.443 -4.710 1.00 0.00 N ATOM 257 CA LEU A 37 13.253 17.693 -3.626 1.00 0.00 C ATOM 258 C LEU A 37 13.470 19.056 -2.950 1.00 0.00 C ATOM 259 O LEU A 37 12.516 19.814 -2.783 1.00 0.00 O ATOM 260 CB LEU A 37 13.217 16.494 -2.656 1.00 0.00 C ATOM 261 CG LEU A 37 12.833 15.163 -3.342 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.897 14.002 -2.360 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.426 15.184 -3.925 1.00 0.00 C ATOM 0 H LEU A 37 14.857 16.681 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 37 12.254 17.772 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.196 16.384 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.504 16.702 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 37 13.556 15.035 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.622 13.079 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.910 13.912 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.205 14.182 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.212 14.223 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.705 15.368 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.353 15.976 -4.671 1.00 0.00 H new ATOM 275 N HIS A 38 14.720 19.436 -2.663 1.00 0.00 N ATOM 276 CA HIS A 38 15.054 20.800 -2.217 1.00 0.00 C ATOM 277 C HIS A 38 14.660 21.841 -3.285 1.00 0.00 C ATOM 278 O HIS A 38 13.977 22.815 -2.973 1.00 0.00 O ATOM 279 CB HIS A 38 16.564 20.929 -1.956 1.00 0.00 C ATOM 280 CG HIS A 38 17.093 20.297 -0.696 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.377 20.525 -0.193 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.435 19.440 0.137 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.459 19.814 0.943 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.313 19.143 1.157 1.00 0.00 N ATOM 0 H HIS A 38 15.526 18.814 -2.731 1.00 0.00 H new ATOM 0 HA HIS A 38 14.498 20.986 -1.298 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.093 20.492 -2.803 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.816 21.989 -1.935 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.428 19.069 0.020 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.322 19.785 1.592 1.00 0.00 H new ATOM 0 HE2 HIS A 38 17.125 18.519 1.942 1.00 0.00 H new ATOM 292 N ALA A 39 15.041 21.629 -4.555 1.00 0.00 N ATOM 293 CA ALA A 39 14.736 22.554 -5.657 1.00 0.00 C ATOM 294 C ALA A 39 13.223 22.703 -5.931 1.00 0.00 C ATOM 295 O ALA A 39 12.760 23.787 -6.293 1.00 0.00 O ATOM 296 CB ALA A 39 15.483 22.087 -6.911 1.00 0.00 C ATOM 0 H ALA A 39 15.571 20.808 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 39 15.074 23.548 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.266 22.764 -7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.555 22.085 -6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.160 21.080 -7.173 1.00 0.00 H new ATOM 302 N ALA A 40 12.440 21.645 -5.692 1.00 0.00 N ATOM 303 CA ALA A 40 10.974 21.654 -5.716 1.00 0.00 C ATOM 304 C ALA A 40 10.320 22.465 -4.575 1.00 0.00 C ATOM 305 O ALA A 40 9.096 22.617 -4.569 1.00 0.00 O ATOM 306 CB ALA A 40 10.484 20.204 -5.679 1.00 0.00 C ATOM 0 H ALA A 40 12.824 20.727 -5.469 1.00 0.00 H new ATOM 0 HA ALA A 40 10.672 22.159 -6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.394 20.188 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.869 19.668 -6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.840 19.723 -4.768 1.00 0.00 H new ATOM 312 N GLY A 41 11.108 22.965 -3.615 1.00 0.00 N ATOM 313 CA GLY A 41 10.676 23.846 -2.523 1.00 0.00 C ATOM 314 C GLY A 41 11.042 23.358 -1.113 1.00 0.00 C ATOM 315 O GLY A 41 10.776 24.075 -0.145 1.00 0.00 O ATOM 0 H GLY A 41 12.106 22.758 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.116 24.832 -2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.594 23.967 -2.580 1.00 0.00 H new ATOM 319 N ALA A 42 11.630 22.163 -0.973 1.00 0.00 N ATOM 320 CA ALA A 42 11.932 21.554 0.322 1.00 0.00 C ATOM 321 C ALA A 42 13.319 21.936 0.904 1.00 0.00 C ATOM 322 O ALA A 42 14.024 22.821 0.413 1.00 0.00 O ATOM 323 CB ALA A 42 11.710 20.037 0.202 1.00 0.00 C ATOM 0 H ALA A 42 11.911 21.588 -1.767 1.00 0.00 H new ATOM 0 HA ALA A 42 11.247 21.963 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.929 19.560 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.673 19.842 -0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.370 19.632 -0.565 1.00 0.00 H new ATOM 329 N GLN A 43 13.678 21.244 1.987 1.00 0.00 N ATOM 330 CA GLN A 43 14.875 21.383 2.835 1.00 0.00 C ATOM 331 C GLN A 43 14.910 20.220 3.859 1.00 0.00 C ATOM 332 O GLN A 43 13.878 19.892 4.449 1.00 0.00 O ATOM 333 CB GLN A 43 14.833 22.737 3.578 1.00 0.00 C ATOM 334 CG GLN A 43 16.116 23.027 4.375 1.00 0.00 C ATOM 335 CD GLN A 43 16.072 24.406 5.035 1.00 0.00 C ATOM 336 OE1 GLN A 43 15.752 24.556 6.209 1.00 0.00 O ATOM 337 NE2 GLN A 43 16.378 25.468 4.317 1.00 0.00 N ATOM 0 H GLN A 43 13.079 20.494 2.331 1.00 0.00 H new ATOM 0 HA GLN A 43 15.770 21.348 2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.673 23.537 2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.981 22.746 4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 43 16.250 22.262 5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.978 22.969 3.711 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.647 25.362 3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.346 26.396 4.740 1.00 0.00 H new ATOM 346 N GLY A 44 16.086 19.617 4.090 1.00 0.00 N ATOM 347 CA GLY A 44 16.284 18.425 4.938 1.00 0.00 C ATOM 348 C GLY A 44 15.777 17.133 4.280 1.00 0.00 C ATOM 349 O GLY A 44 14.642 17.070 3.826 1.00 0.00 O ATOM 0 H GLY A 44 16.956 19.955 3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 44 17.345 18.319 5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.768 18.570 5.887 1.00 0.00 H new ATOM 353 N GLU A 45 16.606 16.088 4.191 1.00 0.00 N ATOM 354 CA GLU A 45 16.347 14.867 3.411 1.00 0.00 C ATOM 355 C GLU A 45 15.407 13.851 4.081 1.00 0.00 C ATOM 356 O GLU A 45 15.730 12.667 4.203 1.00 0.00 O ATOM 357 CB GLU A 45 17.680 14.269 2.935 1.00 0.00 C ATOM 358 CG GLU A 45 18.609 13.828 4.073 1.00 0.00 C ATOM 359 CD GLU A 45 19.582 12.733 3.604 1.00 0.00 C ATOM 360 OE1 GLU A 45 20.688 13.066 3.111 1.00 0.00 O ATOM 361 OE2 GLU A 45 19.242 11.534 3.751 1.00 0.00 O ATOM 0 H GLU A 45 17.504 16.065 4.674 1.00 0.00 H new ATOM 0 HA GLU A 45 15.770 15.161 2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.473 13.411 2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.198 15.006 2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 45 19.172 14.686 4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.015 13.457 4.908 1.00 0.00 H new ATOM 368 N MET A 46 14.231 14.305 4.516 1.00 0.00 N ATOM 369 CA MET A 46 13.191 13.434 5.070 1.00 0.00 C ATOM 370 C MET A 46 11.769 13.875 4.650 1.00 0.00 C ATOM 371 O MET A 46 11.198 14.819 5.198 1.00 0.00 O ATOM 372 CB MET A 46 13.351 13.367 6.598 1.00 0.00 C ATOM 373 CG MET A 46 12.216 12.603 7.298 1.00 0.00 C ATOM 374 SD MET A 46 12.644 11.915 8.919 1.00 0.00 S ATOM 375 CE MET A 46 13.449 10.379 8.386 1.00 0.00 C ATOM 0 H MET A 46 13.971 15.291 4.494 1.00 0.00 H new ATOM 0 HA MET A 46 13.317 12.433 4.658 1.00 0.00 H new ATOM 0 HB2 MET A 46 14.301 12.889 6.836 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.396 14.381 6.996 1.00 0.00 H new ATOM 0 HG2 MET A 46 11.366 13.275 7.418 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.891 11.790 6.649 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.781 9.820 9.261 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.742 9.776 7.817 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.309 10.617 7.760 1.00 0.00 H new ATOM 385 N PHE A 47 11.198 13.143 3.689 1.00 0.00 N ATOM 386 CA PHE A 47 9.814 13.239 3.169 1.00 0.00 C ATOM 387 C PHE A 47 9.432 11.899 2.521 1.00 0.00 C ATOM 388 O PHE A 47 10.226 11.358 1.759 1.00 0.00 O ATOM 389 CB PHE A 47 9.666 14.380 2.132 1.00 0.00 C ATOM 390 CG PHE A 47 10.954 15.054 1.710 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.949 14.293 1.071 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.205 16.395 2.050 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.207 14.854 0.818 1.00 0.00 C ATOM 394 CE2 PHE A 47 12.452 16.965 1.751 1.00 0.00 C ATOM 395 CZ PHE A 47 13.451 16.201 1.131 1.00 0.00 C ATOM 0 H PHE A 47 11.724 12.410 3.213 1.00 0.00 H new ATOM 0 HA PHE A 47 9.149 13.464 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.180 13.978 1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.999 15.137 2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.743 13.275 0.775 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.442 16.983 2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.990 14.251 0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.643 17.998 2.000 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.406 16.647 0.895 1.00 0.00 H new ATOM 405 N THR A 48 8.261 11.335 2.831 1.00 0.00 N ATOM 406 CA THR A 48 7.876 9.951 2.442 1.00 0.00 C ATOM 407 C THR A 48 7.429 9.877 0.974 1.00 0.00 C ATOM 408 O THR A 48 7.277 10.916 0.346 1.00 0.00 O ATOM 409 CB THR A 48 6.842 9.344 3.429 1.00 0.00 C ATOM 410 OG1 THR A 48 6.372 10.291 4.373 1.00 0.00 O ATOM 411 CG2 THR A 48 7.487 8.248 4.272 1.00 0.00 C ATOM 0 H THR A 48 7.539 11.820 3.363 1.00 0.00 H new ATOM 0 HA THR A 48 8.766 9.325 2.517 1.00 0.00 H new ATOM 0 HB THR A 48 6.029 8.978 2.803 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.723 9.863 4.970 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.748 7.834 4.958 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.859 7.458 3.619 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.316 8.668 4.842 1.00 0.00 H new ATOM 419 N VAL A 49 7.208 8.692 0.376 1.00 0.00 N ATOM 420 CA VAL A 49 6.961 8.568 -1.094 1.00 0.00 C ATOM 421 C VAL A 49 5.811 9.449 -1.600 1.00 0.00 C ATOM 422 O VAL A 49 5.905 10.040 -2.671 1.00 0.00 O ATOM 423 CB VAL A 49 6.769 7.097 -1.523 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.518 6.426 -0.943 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.775 6.921 -3.044 1.00 0.00 C ATOM 0 H VAL A 49 7.193 7.803 0.876 1.00 0.00 H new ATOM 0 HA VAL A 49 7.865 8.945 -1.573 1.00 0.00 H new ATOM 0 HB VAL A 49 7.636 6.592 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.461 5.396 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.572 6.435 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.630 6.970 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.636 5.868 -3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.965 7.505 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.728 7.265 -3.446 1.00 0.00 H new ATOM 435 N LYS A 50 4.777 9.623 -0.773 1.00 0.00 N ATOM 436 CA LYS A 50 3.640 10.531 -1.010 1.00 0.00 C ATOM 437 C LYS A 50 4.088 11.990 -1.214 1.00 0.00 C ATOM 438 O LYS A 50 3.634 12.668 -2.134 1.00 0.00 O ATOM 439 CB LYS A 50 2.685 10.419 0.191 1.00 0.00 C ATOM 440 CG LYS A 50 2.072 9.013 0.342 1.00 0.00 C ATOM 441 CD LYS A 50 1.177 8.875 1.584 1.00 0.00 C ATOM 442 CE LYS A 50 1.963 8.992 2.904 1.00 0.00 C ATOM 443 NZ LYS A 50 1.076 8.759 4.079 1.00 0.00 N ATOM 0 H LYS A 50 4.701 9.121 0.112 1.00 0.00 H new ATOM 0 HA LYS A 50 3.137 10.236 -1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.225 10.674 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.883 11.149 0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.487 8.781 -0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.874 8.277 0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.405 9.644 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.668 7.912 1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.778 8.269 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.414 9.982 2.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.631 8.844 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.312 9.465 4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.665 7.805 4.020 1.00 0.00 H new ATOM 457 N GLU A 51 5.041 12.439 -0.396 1.00 0.00 N ATOM 458 CA GLU A 51 5.680 13.758 -0.476 1.00 0.00 C ATOM 459 C GLU A 51 6.686 13.834 -1.629 1.00 0.00 C ATOM 460 O GLU A 51 6.646 14.786 -2.403 1.00 0.00 O ATOM 461 CB GLU A 51 6.370 14.080 0.859 1.00 0.00 C ATOM 462 CG GLU A 51 5.411 14.199 2.049 1.00 0.00 C ATOM 463 CD GLU A 51 4.327 15.272 1.823 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.622 16.481 1.983 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.173 14.915 1.486 1.00 0.00 O ATOM 0 H GLU A 51 5.405 11.874 0.371 1.00 0.00 H new ATOM 0 HA GLU A 51 4.904 14.498 -0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.103 13.302 1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.920 15.015 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.934 13.235 2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.979 14.443 2.947 1.00 0.00 H new ATOM 472 N VAL A 52 7.542 12.817 -1.800 1.00 0.00 N ATOM 473 CA VAL A 52 8.501 12.721 -2.923 1.00 0.00 C ATOM 474 C VAL A 52 7.788 12.871 -4.269 1.00 0.00 C ATOM 475 O VAL A 52 8.220 13.658 -5.107 1.00 0.00 O ATOM 476 CB VAL A 52 9.279 11.387 -2.884 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.198 11.184 -4.096 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.149 11.290 -1.626 1.00 0.00 C ATOM 0 H VAL A 52 7.593 12.026 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 52 9.213 13.539 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 52 8.511 10.613 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.714 10.228 -4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.603 11.190 -5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.931 11.990 -4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.684 10.341 -1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.866 12.111 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.516 11.349 -0.741 1.00 0.00 H new ATOM 488 N MET A 53 6.671 12.168 -4.471 1.00 0.00 N ATOM 489 CA MET A 53 5.890 12.248 -5.707 1.00 0.00 C ATOM 490 C MET A 53 5.197 13.604 -5.870 1.00 0.00 C ATOM 491 O MET A 53 5.242 14.169 -6.959 1.00 0.00 O ATOM 492 CB MET A 53 4.872 11.100 -5.754 1.00 0.00 C ATOM 493 CG MET A 53 5.553 9.743 -5.964 1.00 0.00 C ATOM 494 SD MET A 53 6.602 9.575 -7.442 1.00 0.00 S ATOM 495 CE MET A 53 5.389 9.845 -8.761 1.00 0.00 C ATOM 0 H MET A 53 6.282 11.526 -3.780 1.00 0.00 H new ATOM 0 HA MET A 53 6.580 12.150 -6.545 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.303 11.081 -4.825 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.160 11.278 -6.560 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.164 9.530 -5.087 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.779 8.977 -6.007 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.657 9.244 -9.630 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.399 9.554 -8.410 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.381 10.899 -9.038 1.00 0.00 H new ATOM 505 N HIS A 54 4.632 14.173 -4.802 1.00 0.00 N ATOM 506 CA HIS A 54 4.101 15.550 -4.810 1.00 0.00 C ATOM 507 C HIS A 54 5.154 16.569 -5.262 1.00 0.00 C ATOM 508 O HIS A 54 4.939 17.275 -6.247 1.00 0.00 O ATOM 509 CB HIS A 54 3.531 15.897 -3.428 1.00 0.00 C ATOM 510 CG HIS A 54 3.109 17.340 -3.311 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.027 17.926 -3.974 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.775 18.302 -2.607 1.00 0.00 C ATOM 513 CE1 HIS A 54 2.065 19.231 -3.650 1.00 0.00 C ATOM 514 NE2 HIS A 54 3.097 19.480 -2.826 1.00 0.00 N ATOM 0 H HIS A 54 4.527 13.698 -3.906 1.00 0.00 H new ATOM 0 HA HIS A 54 3.294 15.601 -5.541 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.674 15.256 -3.223 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.281 15.680 -2.667 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.658 18.166 -2.000 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.365 19.974 -4.002 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.337 20.389 -2.430 1.00 0.00 H new ATOM 522 N TYR A 55 6.319 16.582 -4.614 1.00 0.00 N ATOM 523 CA TYR A 55 7.478 17.388 -4.997 1.00 0.00 C ATOM 524 C TYR A 55 7.941 17.124 -6.439 1.00 0.00 C ATOM 525 O TYR A 55 8.241 18.085 -7.140 1.00 0.00 O ATOM 526 CB TYR A 55 8.621 17.178 -3.995 1.00 0.00 C ATOM 527 CG TYR A 55 8.447 17.898 -2.665 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.313 19.302 -2.635 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.449 17.175 -1.454 1.00 0.00 C ATOM 530 CE1 TYR A 55 8.152 19.974 -1.409 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.289 17.843 -0.225 1.00 0.00 C ATOM 532 CZ TYR A 55 8.134 19.247 -0.199 1.00 0.00 C ATOM 533 OH TYR A 55 7.981 19.910 0.982 1.00 0.00 O ATOM 0 H TYR A 55 6.487 16.015 -3.783 1.00 0.00 H new ATOM 0 HA TYR A 55 7.170 18.433 -4.969 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.725 16.110 -3.803 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.552 17.511 -4.453 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.334 19.864 -3.557 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.574 16.102 -1.470 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.042 21.048 -1.394 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.285 17.282 0.698 1.00 0.00 H new ATOM 0 HH TYR A 55 7.989 19.267 1.721 1.00 0.00 H new ATOM 543 N LEU A 56 7.937 15.877 -6.926 1.00 0.00 N ATOM 544 CA LEU A 56 8.283 15.547 -8.316 1.00 0.00 C ATOM 545 C LEU A 56 7.280 16.152 -9.309 1.00 0.00 C ATOM 546 O LEU A 56 7.685 16.822 -10.257 1.00 0.00 O ATOM 547 CB LEU A 56 8.372 14.015 -8.489 1.00 0.00 C ATOM 548 CG LEU A 56 9.703 13.398 -8.024 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.583 11.875 -7.954 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.830 13.718 -9.004 1.00 0.00 C ATOM 0 H LEU A 56 7.692 15.062 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 56 9.257 15.985 -8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.557 13.551 -7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.220 13.771 -9.540 1.00 0.00 H new ATOM 0 HG LEU A 56 9.927 13.819 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.531 11.450 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.798 11.604 -7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.334 11.484 -8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.758 13.270 -8.650 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.584 13.315 -9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.954 14.799 -9.076 1.00 0.00 H new ATOM 562 N GLY A 57 5.979 15.978 -9.070 1.00 0.00 N ATOM 563 CA GLY A 57 4.924 16.538 -9.916 1.00 0.00 C ATOM 564 C GLY A 57 4.960 18.066 -9.933 1.00 0.00 C ATOM 565 O GLY A 57 4.993 18.681 -11.003 1.00 0.00 O ATOM 0 H GLY A 57 5.626 15.441 -8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.035 16.161 -10.933 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.952 16.201 -9.555 1.00 0.00 H new ATOM 569 N GLN A 58 5.068 18.695 -8.755 1.00 0.00 N ATOM 570 CA GLN A 58 5.126 20.154 -8.676 1.00 0.00 C ATOM 571 C GLN A 58 6.442 20.723 -9.238 1.00 0.00 C ATOM 572 O GLN A 58 6.409 21.776 -9.866 1.00 0.00 O ATOM 573 CB GLN A 58 4.707 20.681 -7.289 1.00 0.00 C ATOM 574 CG GLN A 58 5.718 20.601 -6.140 1.00 0.00 C ATOM 575 CD GLN A 58 5.332 21.529 -4.981 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.169 21.723 -4.651 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.273 22.160 -4.310 1.00 0.00 N ATOM 0 H GLN A 58 5.116 18.219 -7.854 1.00 0.00 H new ATOM 0 HA GLN A 58 4.367 20.554 -9.348 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.419 21.726 -7.405 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.814 20.136 -6.983 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.779 19.574 -5.780 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.709 20.869 -6.507 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.253 22.024 -4.556 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.021 22.785 -3.544 1.00 0.00 H new ATOM 586 N TYR A 59 7.574 20.012 -9.134 1.00 0.00 N ATOM 587 CA TYR A 59 8.828 20.359 -9.822 1.00 0.00 C ATOM 588 C TYR A 59 8.666 20.325 -11.345 1.00 0.00 C ATOM 589 O TYR A 59 9.056 21.273 -12.021 1.00 0.00 O ATOM 590 CB TYR A 59 9.939 19.397 -9.384 1.00 0.00 C ATOM 591 CG TYR A 59 11.297 19.603 -10.031 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.251 20.450 -9.433 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.621 18.907 -11.212 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.526 20.603 -10.015 1.00 0.00 C ATOM 595 CE2 TYR A 59 12.892 19.061 -11.797 1.00 0.00 C ATOM 596 CZ TYR A 59 13.850 19.910 -11.202 1.00 0.00 C ATOM 597 OH TYR A 59 15.067 20.082 -11.781 1.00 0.00 O ATOM 0 H TYR A 59 7.646 19.170 -8.563 1.00 0.00 H new ATOM 0 HA TYR A 59 9.097 21.378 -9.544 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.058 19.480 -8.304 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.612 18.378 -9.591 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.005 20.983 -8.527 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.893 18.254 -11.670 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.256 21.251 -9.552 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.135 18.528 -12.704 1.00 0.00 H new ATOM 0 HH TYR A 59 15.071 19.661 -12.666 1.00 0.00 H new ATOM 607 N ILE A 60 8.032 19.282 -11.890 1.00 0.00 N ATOM 608 CA ILE A 60 7.764 19.152 -13.330 1.00 0.00 C ATOM 609 C ILE A 60 6.896 20.328 -13.819 1.00 0.00 C ATOM 610 O ILE A 60 7.254 20.988 -14.801 1.00 0.00 O ATOM 611 CB ILE A 60 7.198 17.735 -13.620 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.317 16.679 -13.428 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.611 17.562 -15.032 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.796 15.243 -13.291 1.00 0.00 C ATOM 0 H ILE A 60 7.686 18.495 -11.340 1.00 0.00 H new ATOM 0 HA ILE A 60 8.681 19.227 -13.915 1.00 0.00 H new ATOM 0 HB ILE A 60 6.379 17.597 -12.914 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.000 16.728 -14.276 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.894 16.933 -12.539 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.239 16.544 -15.149 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.792 18.267 -15.174 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.386 17.752 -15.774 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.637 14.562 -13.160 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.137 15.176 -12.426 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.244 14.969 -14.190 1.00 0.00 H new ATOM 626 N MET A 61 5.838 20.687 -13.082 1.00 0.00 N ATOM 627 CA MET A 61 5.027 21.885 -13.364 1.00 0.00 C ATOM 628 C MET A 61 5.806 23.208 -13.223 1.00 0.00 C ATOM 629 O MET A 61 5.618 24.105 -14.045 1.00 0.00 O ATOM 630 CB MET A 61 3.779 21.911 -12.462 1.00 0.00 C ATOM 631 CG MET A 61 2.561 21.186 -13.052 1.00 0.00 C ATOM 632 SD MET A 61 2.692 19.391 -13.285 1.00 0.00 S ATOM 633 CE MET A 61 3.236 19.300 -15.010 1.00 0.00 C ATOM 0 H MET A 61 5.517 20.157 -12.272 1.00 0.00 H new ATOM 0 HA MET A 61 4.732 21.810 -14.411 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.028 21.457 -11.503 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.509 22.948 -12.264 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.706 21.380 -12.404 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.337 21.636 -14.019 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.291 18.256 -15.319 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.525 19.829 -15.644 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.220 19.760 -15.106 1.00 0.00 H new ATOM 643 N VAL A 62 6.696 23.348 -12.231 1.00 0.00 N ATOM 644 CA VAL A 62 7.454 24.579 -11.958 1.00 0.00 C ATOM 645 C VAL A 62 8.549 24.822 -12.995 1.00 0.00 C ATOM 646 O VAL A 62 8.704 25.940 -13.490 1.00 0.00 O ATOM 647 CB VAL A 62 8.012 24.497 -10.520 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.263 25.326 -10.249 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.929 24.924 -9.525 1.00 0.00 C ATOM 0 H VAL A 62 6.914 22.593 -11.581 1.00 0.00 H new ATOM 0 HA VAL A 62 6.791 25.440 -12.036 1.00 0.00 H new ATOM 0 HB VAL A 62 8.307 23.455 -10.397 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.568 25.195 -9.211 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.067 24.998 -10.908 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.049 26.379 -10.434 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.324 24.866 -8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.623 25.949 -9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.068 24.262 -9.618 1.00 0.00 H new ATOM 659 N LYS A 63 9.279 23.764 -13.358 1.00 0.00 N ATOM 660 CA LYS A 63 10.322 23.791 -14.391 1.00 0.00 C ATOM 661 C LYS A 63 9.746 23.682 -15.816 1.00 0.00 C ATOM 662 O LYS A 63 10.452 24.015 -16.767 1.00 0.00 O ATOM 663 CB LYS A 63 11.336 22.670 -14.103 1.00 0.00 C ATOM 664 CG LYS A 63 12.046 22.716 -12.740 1.00 0.00 C ATOM 665 CD LYS A 63 12.949 23.936 -12.502 1.00 0.00 C ATOM 666 CE LYS A 63 14.089 24.108 -13.519 1.00 0.00 C ATOM 667 NZ LYS A 63 15.064 22.979 -13.509 1.00 0.00 N ATOM 0 H LYS A 63 9.160 22.844 -12.934 1.00 0.00 H new ATOM 0 HA LYS A 63 10.825 24.757 -14.351 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.819 21.714 -14.186 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.096 22.690 -14.884 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.290 22.688 -11.956 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.649 21.814 -12.634 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.332 24.834 -12.515 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.381 23.861 -11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.664 24.203 -14.518 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.618 25.037 -13.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.022 23.346 -13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.037 22.505 -12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.814 22.298 -14.254 1.00 0.00 H new ATOM 681 N GLN A 64 8.479 23.261 -15.970 1.00 0.00 N ATOM 682 CA GLN A 64 7.769 23.117 -17.256 1.00 0.00 C ATOM 683 C GLN A 64 8.324 21.973 -18.123 1.00 0.00 C ATOM 684 O GLN A 64 8.616 22.114 -19.311 1.00 0.00 O ATOM 685 CB GLN A 64 7.583 24.462 -17.985 1.00 0.00 C ATOM 686 CG GLN A 64 6.995 25.524 -17.048 1.00 0.00 C ATOM 687 CD GLN A 64 6.658 26.819 -17.785 1.00 0.00 C ATOM 688 OE1 GLN A 64 7.432 27.768 -17.824 1.00 0.00 O ATOM 689 NE2 GLN A 64 5.501 26.913 -18.410 1.00 0.00 N ATOM 0 H GLN A 64 7.898 23.001 -15.173 1.00 0.00 H new ATOM 0 HA GLN A 64 6.753 22.797 -17.023 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.543 24.805 -18.371 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.925 24.326 -18.843 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.094 25.131 -16.576 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.706 25.736 -16.250 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.845 26.133 -18.388 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.262 27.766 -18.916 1.00 0.00 H new ATOM 698 N LEU A 65 8.450 20.812 -17.478 1.00 0.00 N ATOM 699 CA LEU A 65 8.987 19.551 -18.001 1.00 0.00 C ATOM 700 C LEU A 65 7.881 18.675 -18.615 1.00 0.00 C ATOM 701 O LEU A 65 7.862 17.466 -18.424 1.00 0.00 O ATOM 702 CB LEU A 65 9.722 18.855 -16.835 1.00 0.00 C ATOM 703 CG LEU A 65 11.172 19.281 -16.548 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.543 20.711 -16.912 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.474 19.007 -15.075 1.00 0.00 C ATOM 0 H LEU A 65 8.158 20.720 -16.505 1.00 0.00 H new ATOM 0 HA LEU A 65 9.685 19.735 -18.818 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.139 19.016 -15.928 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.720 17.783 -17.030 1.00 0.00 H new ATOM 0 HG LEU A 65 11.793 18.682 -17.214 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.589 20.890 -16.663 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.393 20.865 -17.981 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.913 21.404 -16.354 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.499 19.303 -14.853 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.788 19.579 -14.450 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.351 17.944 -14.870 1.00 0.00 H new ATOM 717 N TYR A 66 6.903 19.260 -19.299 1.00 0.00 N ATOM 718 CA TYR A 66 5.749 18.535 -19.844 1.00 0.00 C ATOM 719 C TYR A 66 5.180 19.222 -21.104 1.00 0.00 C ATOM 720 O TYR A 66 5.550 20.355 -21.424 1.00 0.00 O ATOM 721 CB TYR A 66 4.670 18.422 -18.748 1.00 0.00 C ATOM 722 CG TYR A 66 3.990 19.733 -18.372 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.656 20.686 -17.573 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.680 19.995 -18.818 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.022 21.900 -17.241 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.042 21.207 -18.489 1.00 0.00 C ATOM 727 CZ TYR A 66 2.715 22.166 -17.701 1.00 0.00 C ATOM 728 OH TYR A 66 2.113 23.343 -17.370 1.00 0.00 O ATOM 0 H TYR A 66 6.884 20.261 -19.495 1.00 0.00 H new ATOM 0 HA TYR A 66 6.073 17.540 -20.150 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.908 17.718 -19.082 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.126 17.998 -17.853 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.655 20.485 -17.215 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.161 19.261 -19.417 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.538 22.628 -16.633 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.039 21.402 -18.839 1.00 0.00 H new ATOM 0 HH TYR A 66 1.217 23.374 -17.765 1.00 0.00 H new ATOM 738 N ASP A 67 4.267 18.553 -21.815 1.00 0.00 N ATOM 739 CA ASP A 67 3.538 19.128 -22.959 1.00 0.00 C ATOM 740 C ASP A 67 2.159 19.676 -22.544 1.00 0.00 C ATOM 741 O ASP A 67 1.418 19.020 -21.812 1.00 0.00 O ATOM 742 CB ASP A 67 3.381 18.072 -24.054 1.00 0.00 C ATOM 743 CG ASP A 67 2.774 18.677 -25.327 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.529 18.788 -25.394 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.541 19.076 -26.236 1.00 0.00 O ATOM 0 H ASP A 67 4.008 17.587 -21.614 1.00 0.00 H new ATOM 0 HA ASP A 67 4.120 19.967 -23.341 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.353 17.635 -24.284 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.745 17.263 -23.694 1.00 0.00 H new ATOM 750 N GLN A 68 1.781 20.861 -23.037 1.00 0.00 N ATOM 751 CA GLN A 68 0.543 21.533 -22.635 1.00 0.00 C ATOM 752 C GLN A 68 -0.763 20.872 -23.117 1.00 0.00 C ATOM 753 O GLN A 68 -1.821 21.147 -22.545 1.00 0.00 O ATOM 754 CB GLN A 68 0.630 23.017 -23.026 1.00 0.00 C ATOM 755 CG GLN A 68 0.548 23.280 -24.543 1.00 0.00 C ATOM 756 CD GLN A 68 0.649 24.763 -24.917 1.00 0.00 C ATOM 757 OE1 GLN A 68 0.770 25.660 -24.090 1.00 0.00 O ATOM 758 NE2 GLN A 68 0.602 25.087 -26.194 1.00 0.00 N ATOM 0 H GLN A 68 2.326 21.380 -23.726 1.00 0.00 H new ATOM 0 HA GLN A 68 0.473 21.433 -21.552 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.176 23.559 -22.531 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.567 23.426 -22.649 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.348 22.733 -25.041 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.394 22.882 -24.922 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.502 24.359 -26.901 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.666 26.066 -26.475 1.00 0.00 H new ATOM 767 N GLN A 69 -0.708 19.990 -24.121 1.00 0.00 N ATOM 768 CA GLN A 69 -1.836 19.170 -24.581 1.00 0.00 C ATOM 769 C GLN A 69 -1.687 17.702 -24.142 1.00 0.00 C ATOM 770 O GLN A 69 -2.683 17.072 -23.781 1.00 0.00 O ATOM 771 CB GLN A 69 -1.965 19.313 -26.108 1.00 0.00 C ATOM 772 CG GLN A 69 -3.110 18.505 -26.745 1.00 0.00 C ATOM 773 CD GLN A 69 -4.498 18.889 -26.229 1.00 0.00 C ATOM 774 OE1 GLN A 69 -5.192 19.729 -26.790 1.00 0.00 O ATOM 775 NE2 GLN A 69 -4.960 18.300 -25.145 1.00 0.00 N ATOM 0 H GLN A 69 0.147 19.822 -24.652 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.756 19.526 -24.117 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.107 20.367 -26.348 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.025 19.006 -26.567 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.083 18.644 -27.826 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.943 17.445 -26.556 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.395 17.599 -24.666 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.882 18.545 -24.785 1.00 0.00 H new ATOM 784 N GLU A 70 -0.463 17.171 -24.100 1.00 0.00 N ATOM 785 CA GLU A 70 -0.157 15.815 -23.620 1.00 0.00 C ATOM 786 C GLU A 70 0.292 15.878 -22.150 1.00 0.00 C ATOM 787 O GLU A 70 1.403 15.487 -21.802 1.00 0.00 O ATOM 788 CB GLU A 70 0.834 15.088 -24.555 1.00 0.00 C ATOM 789 CG GLU A 70 0.362 14.938 -26.009 1.00 0.00 C ATOM 790 CD GLU A 70 -0.827 13.967 -26.142 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.604 12.731 -26.164 1.00 0.00 O ATOM 792 OE2 GLU A 70 -1.991 14.426 -26.239 1.00 0.00 O ATOM 0 H GLU A 70 0.365 17.682 -24.406 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.059 15.203 -23.649 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.780 15.630 -24.550 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.033 14.096 -24.149 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.075 15.915 -26.398 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.190 14.581 -26.622 1.00 0.00 H new ATOM 799 N GLN A 71 -0.567 16.412 -21.271 1.00 0.00 N ATOM 800 CA GLN A 71 -0.213 16.730 -19.875 1.00 0.00 C ATOM 801 C GLN A 71 0.107 15.481 -19.030 1.00 0.00 C ATOM 802 O GLN A 71 0.842 15.563 -18.045 1.00 0.00 O ATOM 803 CB GLN A 71 -1.337 17.557 -19.228 1.00 0.00 C ATOM 804 CG GLN A 71 -1.561 18.907 -19.938 1.00 0.00 C ATOM 805 CD GLN A 71 -2.650 19.773 -19.299 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.157 19.524 -18.211 1.00 0.00 O ATOM 807 NE2 GLN A 71 -3.055 20.839 -19.958 1.00 0.00 N ATOM 0 H GLN A 71 -1.533 16.638 -21.507 1.00 0.00 H new ATOM 0 HA GLN A 71 0.705 17.317 -19.902 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.263 16.982 -19.247 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.094 17.737 -18.181 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.624 19.464 -19.942 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.824 18.719 -20.979 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.646 21.064 -20.865 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.778 21.440 -19.561 1.00 0.00 H new ATOM 816 N HIS A 72 -0.391 14.313 -19.450 1.00 0.00 N ATOM 817 CA HIS A 72 -0.047 12.982 -18.929 1.00 0.00 C ATOM 818 C HIS A 72 1.387 12.531 -19.270 1.00 0.00 C ATOM 819 O HIS A 72 1.859 11.534 -18.719 1.00 0.00 O ATOM 820 CB HIS A 72 -1.064 11.978 -19.498 1.00 0.00 C ATOM 821 CG HIS A 72 -1.186 12.024 -21.004 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.062 12.854 -21.712 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.443 11.303 -21.893 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.846 12.591 -23.011 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.872 11.676 -23.149 1.00 0.00 N ATOM 0 H HIS A 72 -1.080 14.266 -20.201 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.087 13.028 -17.841 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.775 10.971 -19.196 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.041 12.175 -19.057 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.328 10.583 -21.659 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.380 13.050 -23.830 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.511 11.318 -24.033 1.00 0.00 H new ATOM 833 N MET A 73 2.069 13.235 -20.176 1.00 0.00 N ATOM 834 CA MET A 73 3.403 12.935 -20.697 1.00 0.00 C ATOM 835 C MET A 73 4.434 13.969 -20.210 1.00 0.00 C ATOM 836 O MET A 73 4.186 15.177 -20.214 1.00 0.00 O ATOM 837 CB MET A 73 3.328 12.878 -22.233 1.00 0.00 C ATOM 838 CG MET A 73 4.582 12.303 -22.857 1.00 0.00 C ATOM 839 SD MET A 73 4.824 10.555 -22.494 1.00 0.00 S ATOM 840 CE MET A 73 6.531 10.553 -23.036 1.00 0.00 C ATOM 0 H MET A 73 1.680 14.082 -20.591 1.00 0.00 H new ATOM 0 HA MET A 73 3.738 11.968 -20.322 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.470 12.274 -22.529 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.161 13.882 -22.622 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.537 12.439 -23.937 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.446 12.864 -22.501 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.763 9.597 -23.505 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.685 11.357 -23.756 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.185 10.704 -22.178 1.00 0.00 H new ATOM 850 N VAL A 74 5.610 13.491 -19.800 1.00 0.00 N ATOM 851 CA VAL A 74 6.700 14.287 -19.223 1.00 0.00 C ATOM 852 C VAL A 74 7.845 14.375 -20.232 1.00 0.00 C ATOM 853 O VAL A 74 8.174 13.400 -20.908 1.00 0.00 O ATOM 854 CB VAL A 74 7.139 13.697 -17.864 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.248 14.515 -17.199 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.955 13.664 -16.886 1.00 0.00 C ATOM 0 H VAL A 74 5.841 12.499 -19.862 1.00 0.00 H new ATOM 0 HA VAL A 74 6.360 15.302 -19.020 1.00 0.00 H new ATOM 0 HB VAL A 74 7.509 12.694 -18.079 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.518 14.056 -16.248 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.122 14.541 -17.850 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.895 15.532 -17.024 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.281 13.246 -15.934 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.584 14.677 -16.729 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.158 13.046 -17.300 1.00 0.00 H new ATOM 866 N TYR A 75 8.441 15.561 -20.320 1.00 0.00 N ATOM 867 CA TYR A 75 9.467 15.986 -21.269 1.00 0.00 C ATOM 868 C TYR A 75 10.573 16.769 -20.545 1.00 0.00 C ATOM 869 O TYR A 75 10.744 17.980 -20.685 1.00 0.00 O ATOM 870 CB TYR A 75 8.810 16.765 -22.417 1.00 0.00 C ATOM 871 CG TYR A 75 8.090 15.840 -23.373 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.837 14.859 -24.050 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.696 15.915 -23.551 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.197 13.950 -24.908 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.052 15.019 -24.427 1.00 0.00 C ATOM 876 CZ TYR A 75 6.801 14.035 -25.111 1.00 0.00 C ATOM 877 OH TYR A 75 6.172 13.175 -25.960 1.00 0.00 O ATOM 0 H TYR A 75 8.198 16.313 -19.675 1.00 0.00 H new ATOM 0 HA TYR A 75 9.957 15.120 -21.714 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.105 17.490 -22.010 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.570 17.329 -22.958 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.906 14.805 -23.909 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.121 16.658 -23.017 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.771 13.187 -25.412 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.984 15.084 -24.576 1.00 0.00 H new ATOM 0 HH TYR A 75 5.213 13.376 -25.978 1.00 0.00 H new ATOM 887 N CYS A 76 11.349 16.020 -19.771 1.00 0.00 N ATOM 888 CA CYS A 76 12.590 16.426 -19.088 1.00 0.00 C ATOM 889 C CYS A 76 13.828 16.509 -20.017 1.00 0.00 C ATOM 890 O CYS A 76 14.950 16.277 -19.561 1.00 0.00 O ATOM 891 CB CYS A 76 12.844 15.481 -17.895 1.00 0.00 C ATOM 892 SG CYS A 76 11.525 15.577 -16.654 1.00 0.00 S ATOM 0 H CYS A 76 11.119 15.044 -19.586 1.00 0.00 H new ATOM 0 HA CYS A 76 12.442 17.446 -18.734 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.927 14.456 -18.257 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.797 15.733 -17.430 1.00 0.00 H new ATOM 0 HG CYS A 76 11.789 14.762 -15.676 1.00 0.00 H new ATOM 898 N GLY A 77 13.642 16.843 -21.302 1.00 0.00 N ATOM 899 CA GLY A 77 14.638 16.771 -22.391 1.00 0.00 C ATOM 900 C GLY A 77 16.029 17.363 -22.115 1.00 0.00 C ATOM 901 O GLY A 77 17.018 16.869 -22.661 1.00 0.00 O ATOM 0 H GLY A 77 12.742 17.191 -21.633 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.765 15.723 -22.663 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.223 17.278 -23.262 1.00 0.00 H new ATOM 905 N GLY A 78 16.116 18.380 -21.252 1.00 0.00 N ATOM 906 CA GLY A 78 17.373 18.985 -20.791 1.00 0.00 C ATOM 907 C GLY A 78 17.456 19.209 -19.275 1.00 0.00 C ATOM 908 O GLY A 78 18.262 20.034 -18.840 1.00 0.00 O ATOM 0 H GLY A 78 15.291 18.819 -20.842 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.202 18.346 -21.097 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.506 19.943 -21.294 1.00 0.00 H new ATOM 912 N ASP A 79 16.624 18.538 -18.465 1.00 0.00 N ATOM 913 CA ASP A 79 16.577 18.770 -17.009 1.00 0.00 C ATOM 914 C ASP A 79 17.438 17.782 -16.209 1.00 0.00 C ATOM 915 O ASP A 79 17.505 16.595 -16.540 1.00 0.00 O ATOM 916 CB ASP A 79 15.136 18.759 -16.484 1.00 0.00 C ATOM 917 CG ASP A 79 15.071 19.483 -15.131 1.00 0.00 C ATOM 918 OD1 ASP A 79 14.893 20.722 -15.106 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.253 18.815 -14.090 1.00 0.00 O ATOM 0 H ASP A 79 15.971 17.827 -18.793 1.00 0.00 H new ATOM 0 HA ASP A 79 17.003 19.762 -16.857 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.474 19.246 -17.200 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.787 17.732 -16.375 1.00 0.00 H new ATOM 924 N LEU A 80 18.016 18.248 -15.095 1.00 0.00 N ATOM 925 CA LEU A 80 18.746 17.411 -14.137 1.00 0.00 C ATOM 926 C LEU A 80 17.914 16.214 -13.650 1.00 0.00 C ATOM 927 O LEU A 80 18.468 15.130 -13.501 1.00 0.00 O ATOM 928 CB LEU A 80 19.197 18.262 -12.934 1.00 0.00 C ATOM 929 CG LEU A 80 20.218 19.370 -13.255 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.533 20.155 -11.982 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.532 18.816 -13.811 1.00 0.00 C ATOM 0 H LEU A 80 17.989 19.233 -14.831 1.00 0.00 H new ATOM 0 HA LEU A 80 19.617 17.010 -14.655 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.316 18.722 -12.485 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.629 17.600 -12.183 1.00 0.00 H new ATOM 0 HG LEU A 80 19.767 20.007 -14.016 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.255 20.939 -12.208 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.618 20.604 -11.596 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.950 19.482 -11.233 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.215 19.640 -14.020 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.984 18.147 -13.079 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.335 18.266 -14.731 1.00 0.00 H new ATOM 943 N LEU A 81 16.594 16.359 -13.474 1.00 0.00 N ATOM 944 CA LEU A 81 15.712 15.236 -13.140 1.00 0.00 C ATOM 945 C LEU A 81 15.755 14.148 -14.227 1.00 0.00 C ATOM 946 O LEU A 81 15.981 12.987 -13.906 1.00 0.00 O ATOM 947 CB LEU A 81 14.287 15.766 -12.877 1.00 0.00 C ATOM 948 CG LEU A 81 13.207 14.687 -12.655 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.529 13.724 -11.510 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.867 15.355 -12.351 1.00 0.00 C ATOM 0 H LEU A 81 16.111 17.253 -13.559 1.00 0.00 H new ATOM 0 HA LEU A 81 16.064 14.755 -12.227 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.315 16.413 -12.000 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.987 16.387 -13.722 1.00 0.00 H new ATOM 0 HG LEU A 81 13.169 14.105 -13.576 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.726 12.993 -11.412 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.466 13.208 -11.721 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.625 14.284 -10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.106 14.590 -12.195 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.960 15.964 -11.452 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.578 15.988 -13.190 1.00 0.00 H new ATOM 962 N GLY A 82 15.600 14.499 -15.508 1.00 0.00 N ATOM 963 CA GLY A 82 15.636 13.514 -16.603 1.00 0.00 C ATOM 964 C GLY A 82 17.014 12.856 -16.760 1.00 0.00 C ATOM 965 O GLY A 82 17.121 11.641 -16.947 1.00 0.00 O ATOM 0 H GLY A 82 15.448 15.459 -15.816 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.888 12.743 -16.418 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.363 14.005 -17.537 1.00 0.00 H new ATOM 969 N GLU A 83 18.079 13.651 -16.646 1.00 0.00 N ATOM 970 CA GLU A 83 19.477 13.197 -16.720 1.00 0.00 C ATOM 971 C GLU A 83 19.809 12.186 -15.618 1.00 0.00 C ATOM 972 O GLU A 83 20.288 11.086 -15.900 1.00 0.00 O ATOM 973 CB GLU A 83 20.423 14.393 -16.546 1.00 0.00 C ATOM 974 CG GLU A 83 20.354 15.429 -17.664 1.00 0.00 C ATOM 975 CD GLU A 83 21.279 15.065 -18.840 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.912 14.189 -19.661 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.385 15.651 -18.955 1.00 0.00 O ATOM 0 H GLU A 83 17.995 14.656 -16.495 1.00 0.00 H new ATOM 0 HA GLU A 83 19.606 12.725 -17.694 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.196 14.884 -15.600 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.446 14.023 -16.475 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.327 15.510 -18.021 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.633 16.407 -17.271 1.00 0.00 H new ATOM 984 N LEU A 84 19.537 12.559 -14.362 1.00 0.00 N ATOM 985 CA LEU A 84 19.870 11.741 -13.193 1.00 0.00 C ATOM 986 C LEU A 84 18.909 10.554 -12.994 1.00 0.00 C ATOM 987 O LEU A 84 19.339 9.523 -12.470 1.00 0.00 O ATOM 988 CB LEU A 84 19.976 12.625 -11.933 1.00 0.00 C ATOM 989 CG LEU A 84 21.318 13.355 -11.695 1.00 0.00 C ATOM 990 CD1 LEU A 84 22.485 12.376 -11.522 1.00 0.00 C ATOM 991 CD2 LEU A 84 21.712 14.351 -12.787 1.00 0.00 C ATOM 0 H LEU A 84 19.078 13.440 -14.129 1.00 0.00 H new ATOM 0 HA LEU A 84 20.846 11.291 -13.378 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.186 13.375 -11.979 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.772 12.000 -11.063 1.00 0.00 H new ATOM 0 HG LEU A 84 21.135 13.914 -10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 84 23.407 12.934 -11.357 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.294 11.730 -10.665 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.585 11.767 -12.420 1.00 0.00 H new ATOM 0 HD21 LEU A 84 22.666 14.812 -12.532 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.805 13.829 -13.739 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.947 15.123 -12.869 1.00 0.00 H new ATOM 1003 N LEU A 85 17.646 10.641 -13.446 1.00 0.00 N ATOM 1004 CA LEU A 85 16.749 9.475 -13.491 1.00 0.00 C ATOM 1005 C LEU A 85 17.134 8.512 -14.624 1.00 0.00 C ATOM 1006 O LEU A 85 16.964 7.300 -14.487 1.00 0.00 O ATOM 1007 CB LEU A 85 15.265 9.908 -13.483 1.00 0.00 C ATOM 1008 CG LEU A 85 14.476 9.999 -14.802 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.862 8.650 -15.196 1.00 0.00 C ATOM 1010 CD2 LEU A 85 13.291 10.954 -14.648 1.00 0.00 C ATOM 0 H LEU A 85 17.224 11.506 -13.785 1.00 0.00 H new ATOM 0 HA LEU A 85 16.879 8.895 -12.577 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.730 9.215 -12.834 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.217 10.889 -13.010 1.00 0.00 H new ATOM 0 HG LEU A 85 15.188 10.337 -15.555 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.314 8.759 -16.132 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.655 7.913 -15.323 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.180 8.318 -14.413 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.743 11.008 -15.589 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.629 10.589 -13.863 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.656 11.946 -14.383 1.00 0.00 H new ATOM 1022 N GLY A 86 17.692 9.043 -15.720 1.00 0.00 N ATOM 1023 CA GLY A 86 18.217 8.255 -16.840 1.00 0.00 C ATOM 1024 C GLY A 86 17.218 8.068 -17.985 1.00 0.00 C ATOM 1025 O GLY A 86 17.533 7.392 -18.967 1.00 0.00 O ATOM 0 H GLY A 86 17.792 10.049 -15.854 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.112 8.742 -17.227 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.521 7.275 -16.472 1.00 0.00 H new ATOM 1029 N ARG A 87 16.033 8.692 -17.888 1.00 0.00 N ATOM 1030 CA ARG A 87 15.053 8.795 -18.982 1.00 0.00 C ATOM 1031 C ARG A 87 14.530 10.227 -19.040 1.00 0.00 C ATOM 1032 O ARG A 87 14.007 10.736 -18.053 1.00 0.00 O ATOM 1033 CB ARG A 87 13.920 7.761 -18.785 1.00 0.00 C ATOM 1034 CG ARG A 87 13.487 7.072 -20.089 1.00 0.00 C ATOM 1035 CD ARG A 87 14.463 5.959 -20.493 1.00 0.00 C ATOM 1036 NE ARG A 87 14.017 5.277 -21.724 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.603 4.248 -22.314 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.699 3.714 -21.851 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.092 3.729 -23.394 1.00 0.00 N ATOM 0 H ARG A 87 15.723 9.148 -17.030 1.00 0.00 H new ATOM 0 HA ARG A 87 15.524 8.565 -19.938 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.250 7.003 -18.075 1.00 0.00 H new ATOM 0 HB3 ARG A 87 13.057 8.259 -18.342 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.488 6.653 -19.965 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.426 7.811 -20.888 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.456 6.381 -20.648 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.547 5.234 -19.683 1.00 0.00 H new ATOM 0 HE ARG A 87 13.170 5.636 -22.165 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.132 4.089 -21.007 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.123 2.921 -22.333 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.235 4.116 -23.790 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.549 2.936 -23.844 1.00 0.00 H new ATOM 1053 N GLN A 88 14.677 10.888 -20.186 1.00 0.00 N ATOM 1054 CA GLN A 88 14.279 12.294 -20.353 1.00 0.00 C ATOM 1055 C GLN A 88 12.799 12.456 -20.756 1.00 0.00 C ATOM 1056 O GLN A 88 12.304 13.577 -20.840 1.00 0.00 O ATOM 1057 CB GLN A 88 15.250 13.010 -21.307 1.00 0.00 C ATOM 1058 CG GLN A 88 16.684 13.161 -20.759 1.00 0.00 C ATOM 1059 CD GLN A 88 17.531 11.891 -20.882 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.898 11.467 -21.970 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.856 11.206 -19.801 1.00 0.00 N ATOM 0 H GLN A 88 15.074 10.470 -21.027 1.00 0.00 H new ATOM 0 HA GLN A 88 14.352 12.782 -19.381 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.289 12.460 -22.247 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.854 14.000 -21.534 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.182 13.972 -21.291 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.633 13.452 -19.710 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.564 11.536 -18.881 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.399 10.347 -19.886 1.00 0.00 H new ATOM 1070 N SER A 89 12.071 11.354 -20.952 1.00 0.00 N ATOM 1071 CA SER A 89 10.619 11.340 -21.172 1.00 0.00 C ATOM 1072 C SER A 89 9.982 10.037 -20.671 1.00 0.00 C ATOM 1073 O SER A 89 10.566 8.954 -20.768 1.00 0.00 O ATOM 1074 CB SER A 89 10.293 11.591 -22.652 1.00 0.00 C ATOM 1075 OG SER A 89 10.864 10.597 -23.494 1.00 0.00 O ATOM 0 H SER A 89 12.484 10.421 -20.963 1.00 0.00 H new ATOM 0 HA SER A 89 10.185 12.151 -20.587 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.212 11.606 -22.789 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.665 12.573 -22.945 1.00 0.00 H new ATOM 0 HG SER A 89 10.635 10.788 -24.427 1.00 0.00 H new ATOM 1081 N PHE A 90 8.790 10.161 -20.085 1.00 0.00 N ATOM 1082 CA PHE A 90 7.968 9.078 -19.523 1.00 0.00 C ATOM 1083 C PHE A 90 6.519 9.577 -19.361 1.00 0.00 C ATOM 1084 O PHE A 90 6.278 10.781 -19.452 1.00 0.00 O ATOM 1085 CB PHE A 90 8.559 8.615 -18.173 1.00 0.00 C ATOM 1086 CG PHE A 90 8.598 9.668 -17.076 1.00 0.00 C ATOM 1087 CD1 PHE A 90 7.496 9.812 -16.212 1.00 0.00 C ATOM 1088 CD2 PHE A 90 9.725 10.503 -16.914 1.00 0.00 C ATOM 1089 CE1 PHE A 90 7.502 10.802 -15.215 1.00 0.00 C ATOM 1090 CE2 PHE A 90 9.729 11.493 -15.914 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.614 11.649 -15.071 1.00 0.00 C ATOM 0 H PHE A 90 8.343 11.072 -19.982 1.00 0.00 H new ATOM 0 HA PHE A 90 7.967 8.221 -20.196 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.978 7.765 -17.815 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.574 8.258 -18.345 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.642 9.159 -16.316 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.584 10.382 -17.558 1.00 0.00 H new ATOM 0 HE1 PHE A 90 6.651 10.912 -14.559 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.590 12.134 -15.794 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.612 12.419 -14.314 1.00 0.00 H new ATOM 1101 N SER A 91 5.550 8.692 -19.105 1.00 0.00 N ATOM 1102 CA SER A 91 4.154 9.079 -18.846 1.00 0.00 C ATOM 1103 C SER A 91 3.681 8.687 -17.443 1.00 0.00 C ATOM 1104 O SER A 91 4.249 7.806 -16.794 1.00 0.00 O ATOM 1105 CB SER A 91 3.228 8.523 -19.933 1.00 0.00 C ATOM 1106 OG SER A 91 2.734 7.240 -19.589 1.00 0.00 O ATOM 0 H SER A 91 5.709 7.685 -19.071 1.00 0.00 H new ATOM 0 HA SER A 91 4.110 10.167 -18.884 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.393 9.207 -20.085 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.768 8.465 -20.878 1.00 0.00 H new ATOM 0 HG SER A 91 2.146 6.914 -20.302 1.00 0.00 H new ATOM 1112 N VAL A 92 2.596 9.315 -16.984 1.00 0.00 N ATOM 1113 CA VAL A 92 1.918 8.959 -15.726 1.00 0.00 C ATOM 1114 C VAL A 92 1.204 7.595 -15.796 1.00 0.00 C ATOM 1115 O VAL A 92 0.955 6.972 -14.762 1.00 0.00 O ATOM 1116 CB VAL A 92 0.968 10.103 -15.325 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.325 10.139 -16.147 1.00 0.00 C ATOM 1118 CG2 VAL A 92 0.632 10.058 -13.839 1.00 0.00 C ATOM 0 H VAL A 92 2.156 10.092 -17.476 1.00 0.00 H new ATOM 0 HA VAL A 92 2.672 8.838 -14.948 1.00 0.00 H new ATOM 0 HB VAL A 92 1.516 11.020 -15.543 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.947 10.969 -15.811 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.082 10.271 -17.201 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.867 9.203 -16.014 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.040 10.880 -13.593 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.147 9.110 -13.604 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.548 10.151 -13.256 1.00 0.00 H new ATOM 1128 N LYS A 93 0.903 7.106 -17.012 1.00 0.00 N ATOM 1129 CA LYS A 93 0.271 5.797 -17.264 1.00 0.00 C ATOM 1130 C LYS A 93 1.290 4.653 -17.364 1.00 0.00 C ATOM 1131 O LYS A 93 0.955 3.507 -17.062 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.588 5.862 -18.539 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.704 6.917 -18.455 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.747 6.826 -19.582 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.194 7.059 -21.001 1.00 0.00 C ATOM 1136 NZ LYS A 93 -1.800 5.795 -21.690 1.00 0.00 N ATOM 0 H LYS A 93 1.097 7.623 -17.869 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.363 5.578 -16.405 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.053 6.085 -19.392 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.033 4.884 -18.722 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.212 6.816 -17.496 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.252 7.909 -18.473 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.213 5.841 -19.547 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.532 7.557 -19.390 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.948 7.572 -21.599 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.329 7.720 -20.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.436 6.016 -22.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.060 5.315 -21.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.629 5.172 -21.773 1.00 0.00 H new ATOM 1150 N ASP A 94 2.529 4.964 -17.746 1.00 0.00 N ATOM 1151 CA ASP A 94 3.653 4.033 -17.876 1.00 0.00 C ATOM 1152 C ASP A 94 4.908 4.589 -17.157 1.00 0.00 C ATOM 1153 O ASP A 94 5.911 4.911 -17.806 1.00 0.00 O ATOM 1154 CB ASP A 94 3.895 3.725 -19.365 1.00 0.00 C ATOM 1155 CG ASP A 94 2.733 2.936 -19.993 1.00 0.00 C ATOM 1156 OD1 ASP A 94 2.683 1.694 -19.815 1.00 0.00 O ATOM 1157 OD2 ASP A 94 1.879 3.539 -20.688 1.00 0.00 O ATOM 0 H ASP A 94 2.790 5.920 -17.986 1.00 0.00 H new ATOM 0 HA ASP A 94 3.415 3.090 -17.384 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.033 4.659 -19.909 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.818 3.155 -19.471 1.00 0.00 H new ATOM 1162 N PRO A 95 4.887 4.703 -15.810 1.00 0.00 N ATOM 1163 CA PRO A 95 5.989 5.232 -14.995 1.00 0.00 C ATOM 1164 C PRO A 95 7.155 4.232 -14.830 1.00 0.00 C ATOM 1165 O PRO A 95 7.893 4.293 -13.850 1.00 0.00 O ATOM 1166 CB PRO A 95 5.329 5.616 -13.662 1.00 0.00 C ATOM 1167 CG PRO A 95 4.261 4.537 -13.507 1.00 0.00 C ATOM 1168 CD PRO A 95 3.762 4.369 -14.940 1.00 0.00 C ATOM 0 HA PRO A 95 6.469 6.088 -15.469 1.00 0.00 H new ATOM 0 HB2 PRO A 95 6.041 5.605 -12.837 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.896 6.616 -13.696 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.673 3.610 -13.108 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.464 4.847 -12.832 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.424 3.348 -15.116 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.913 5.024 -15.135 1.00 0.00 H new ATOM 1176 N SER A 96 7.350 3.301 -15.766 1.00 0.00 N ATOM 1177 CA SER A 96 8.333 2.207 -15.688 1.00 0.00 C ATOM 1178 C SER A 96 9.787 2.665 -15.444 1.00 0.00 C ATOM 1179 O SER A 96 10.415 2.134 -14.522 1.00 0.00 O ATOM 1180 CB SER A 96 8.248 1.326 -16.943 1.00 0.00 C ATOM 1181 OG SER A 96 6.908 0.901 -17.163 1.00 0.00 O ATOM 0 H SER A 96 6.811 3.283 -16.632 1.00 0.00 H new ATOM 0 HA SER A 96 8.061 1.629 -14.805 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.607 1.882 -17.810 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.897 0.458 -16.830 1.00 0.00 H new ATOM 0 HG SER A 96 6.870 0.342 -17.967 1.00 0.00 H new ATOM 1187 N PRO A 97 10.341 3.673 -16.162 1.00 0.00 N ATOM 1188 CA PRO A 97 11.667 4.214 -15.838 1.00 0.00 C ATOM 1189 C PRO A 97 11.684 4.981 -14.507 1.00 0.00 C ATOM 1190 O PRO A 97 12.718 5.035 -13.845 1.00 0.00 O ATOM 1191 CB PRO A 97 12.037 5.128 -17.008 1.00 0.00 C ATOM 1192 CG PRO A 97 10.681 5.588 -17.538 1.00 0.00 C ATOM 1193 CD PRO A 97 9.812 4.349 -17.345 1.00 0.00 C ATOM 0 HA PRO A 97 12.388 3.407 -15.706 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.648 5.970 -16.683 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.607 4.596 -17.770 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.297 6.443 -16.982 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.735 5.887 -18.585 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.766 4.623 -17.204 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.857 3.700 -18.219 1.00 0.00 H new ATOM 1201 N LEU A 98 10.548 5.544 -14.075 1.00 0.00 N ATOM 1202 CA LEU A 98 10.433 6.248 -12.795 1.00 0.00 C ATOM 1203 C LEU A 98 10.455 5.268 -11.614 1.00 0.00 C ATOM 1204 O LEU A 98 11.151 5.509 -10.638 1.00 0.00 O ATOM 1205 CB LEU A 98 9.157 7.111 -12.800 1.00 0.00 C ATOM 1206 CG LEU A 98 9.201 8.246 -11.762 1.00 0.00 C ATOM 1207 CD1 LEU A 98 10.050 9.410 -12.273 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.794 8.768 -11.496 1.00 0.00 C ATOM 0 H LEU A 98 9.679 5.523 -14.608 1.00 0.00 H new ATOM 0 HA LEU A 98 11.295 6.903 -12.669 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.017 7.538 -13.793 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.294 6.476 -12.601 1.00 0.00 H new ATOM 0 HG LEU A 98 9.636 7.844 -10.847 1.00 0.00 H new ATOM 0 HD11 LEU A 98 10.069 10.203 -11.525 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.066 9.064 -12.461 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.621 9.795 -13.198 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.837 9.571 -10.760 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.366 9.148 -12.423 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.172 7.959 -11.114 1.00 0.00 H new ATOM 1220 N TYR A 99 9.771 4.127 -11.711 1.00 0.00 N ATOM 1221 CA TYR A 99 9.817 3.061 -10.699 1.00 0.00 C ATOM 1222 C TYR A 99 11.247 2.535 -10.503 1.00 0.00 C ATOM 1223 O TYR A 99 11.685 2.319 -9.368 1.00 0.00 O ATOM 1224 CB TYR A 99 8.887 1.914 -11.133 1.00 0.00 C ATOM 1225 CG TYR A 99 7.405 2.061 -10.803 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.780 3.324 -10.698 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.641 0.895 -10.591 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.413 3.417 -10.370 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.272 0.984 -10.270 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.653 2.248 -10.158 1.00 0.00 C ATOM 1231 OH TYR A 99 3.329 2.349 -9.850 1.00 0.00 O ATOM 0 H TYR A 99 9.162 3.911 -12.501 1.00 0.00 H new ATOM 0 HA TYR A 99 9.483 3.471 -9.746 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.983 1.790 -12.212 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.247 0.994 -10.673 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.353 4.223 -10.870 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.109 -0.075 -10.675 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.946 4.387 -10.281 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.696 0.085 -10.110 1.00 0.00 H new ATOM 0 HH TYR A 99 2.950 1.452 -9.737 1.00 0.00 H new ATOM 1241 N ASP A 100 11.977 2.380 -11.608 1.00 0.00 N ATOM 1242 CA ASP A 100 13.376 1.955 -11.640 1.00 0.00 C ATOM 1243 C ASP A 100 14.324 3.010 -11.058 1.00 0.00 C ATOM 1244 O ASP A 100 15.208 2.676 -10.268 1.00 0.00 O ATOM 1245 CB ASP A 100 13.734 1.648 -13.099 1.00 0.00 C ATOM 1246 CG ASP A 100 15.137 1.047 -13.255 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.392 -0.057 -12.720 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.994 1.677 -13.921 1.00 0.00 O ATOM 0 H ASP A 100 11.596 2.553 -12.538 1.00 0.00 H new ATOM 0 HA ASP A 100 13.495 1.070 -11.015 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.000 0.955 -13.510 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.670 2.565 -13.684 1.00 0.00 H new ATOM 1253 N MET A 101 14.103 4.290 -11.382 1.00 0.00 N ATOM 1254 CA MET A 101 14.842 5.393 -10.752 1.00 0.00 C ATOM 1255 C MET A 101 14.576 5.438 -9.246 1.00 0.00 C ATOM 1256 O MET A 101 15.525 5.480 -8.469 1.00 0.00 O ATOM 1257 CB MET A 101 14.601 6.743 -11.464 1.00 0.00 C ATOM 1258 CG MET A 101 13.626 7.732 -10.803 1.00 0.00 C ATOM 1259 SD MET A 101 14.317 8.732 -9.465 1.00 0.00 S ATOM 1260 CE MET A 101 12.920 9.869 -9.317 1.00 0.00 C ATOM 0 H MET A 101 13.418 4.588 -12.077 1.00 0.00 H new ATOM 0 HA MET A 101 15.907 5.198 -10.873 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.564 7.242 -11.573 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.236 6.532 -12.469 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.240 8.402 -11.571 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.777 7.171 -10.412 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.885 10.272 -8.305 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.038 10.686 -10.029 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.993 9.336 -9.527 1.00 0.00 H new ATOM 1270 N LEU A 102 13.319 5.342 -8.802 1.00 0.00 N ATOM 1271 CA LEU A 102 12.955 5.410 -7.386 1.00 0.00 C ATOM 1272 C LEU A 102 13.634 4.268 -6.624 1.00 0.00 C ATOM 1273 O LEU A 102 14.350 4.536 -5.664 1.00 0.00 O ATOM 1274 CB LEU A 102 11.418 5.413 -7.232 1.00 0.00 C ATOM 1275 CG LEU A 102 10.715 6.710 -7.694 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.205 6.485 -7.764 1.00 0.00 C ATOM 1277 CD2 LEU A 102 10.970 7.895 -6.761 1.00 0.00 C ATOM 0 H LEU A 102 12.519 5.214 -9.422 1.00 0.00 H new ATOM 0 HA LEU A 102 13.313 6.342 -6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.010 4.576 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.173 5.239 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 102 11.131 6.950 -8.673 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.715 7.403 -8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.989 5.686 -8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.833 6.206 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.450 8.775 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.602 7.658 -5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.040 8.098 -6.715 1.00 0.00 H new ATOM 1289 N ARG A 103 13.584 3.031 -7.137 1.00 0.00 N ATOM 1290 CA ARG A 103 14.302 1.872 -6.556 1.00 0.00 C ATOM 1291 C ARG A 103 15.832 2.036 -6.468 1.00 0.00 C ATOM 1292 O ARG A 103 16.464 1.334 -5.678 1.00 0.00 O ATOM 1293 CB ARG A 103 13.922 0.608 -7.346 1.00 0.00 C ATOM 1294 CG ARG A 103 12.506 0.146 -6.967 1.00 0.00 C ATOM 1295 CD ARG A 103 11.920 -0.804 -8.019 1.00 0.00 C ATOM 1296 NE ARG A 103 10.563 -1.260 -7.651 1.00 0.00 N ATOM 1297 CZ ARG A 103 9.444 -0.555 -7.637 1.00 0.00 C ATOM 1298 NH1 ARG A 103 9.411 0.712 -7.947 1.00 0.00 N ATOM 1299 NH2 ARG A 103 8.320 -1.120 -7.301 1.00 0.00 N ATOM 0 H ARG A 103 13.044 2.798 -7.970 1.00 0.00 H new ATOM 0 HA ARG A 103 13.982 1.790 -5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.971 0.811 -8.416 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.638 -0.187 -7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.533 -0.355 -5.999 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.856 1.015 -6.859 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.885 -0.300 -8.985 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.575 -1.668 -8.134 1.00 0.00 H new ATOM 0 HE ARG A 103 10.479 -2.238 -7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.269 1.195 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.527 1.220 -7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.301 -2.108 -7.048 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.458 -0.575 -7.291 1.00 0.00 H new ATOM 1313 N LYS A 104 16.425 2.968 -7.231 1.00 0.00 N ATOM 1314 CA LYS A 104 17.859 3.339 -7.177 1.00 0.00 C ATOM 1315 C LYS A 104 18.164 4.684 -6.497 1.00 0.00 C ATOM 1316 O LYS A 104 19.334 5.045 -6.385 1.00 0.00 O ATOM 1317 CB LYS A 104 18.450 3.238 -8.597 1.00 0.00 C ATOM 1318 CG LYS A 104 18.575 1.762 -9.015 1.00 0.00 C ATOM 1319 CD LYS A 104 19.151 1.576 -10.425 1.00 0.00 C ATOM 1320 CE LYS A 104 18.112 1.968 -11.480 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.554 1.631 -12.858 1.00 0.00 N ATOM 0 H LYS A 104 15.908 3.505 -7.927 1.00 0.00 H new ATOM 0 HA LYS A 104 18.352 2.624 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.813 3.771 -9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.429 3.716 -8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.211 1.242 -8.299 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.592 1.294 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.047 2.186 -10.543 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.451 0.538 -10.569 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.172 1.459 -11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.917 3.038 -11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.722 1.507 -13.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 19.146 2.401 -13.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.105 0.749 -12.840 1.00 0.00 H new ATOM 1335 N ASN A 105 17.153 5.446 -6.062 1.00 0.00 N ATOM 1336 CA ASN A 105 17.308 6.798 -5.469 1.00 0.00 C ATOM 1337 C ASN A 105 16.593 6.970 -4.123 1.00 0.00 C ATOM 1338 O ASN A 105 16.741 7.980 -3.448 1.00 0.00 O ATOM 1339 CB ASN A 105 16.768 7.829 -6.468 1.00 0.00 C ATOM 1340 CG ASN A 105 17.734 8.063 -7.607 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.540 8.979 -7.614 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.697 7.173 -8.560 1.00 0.00 N ATOM 0 H ASN A 105 16.181 5.142 -6.109 1.00 0.00 H new ATOM 0 HA ASN A 105 18.370 6.944 -5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.813 7.485 -6.866 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.578 8.770 -5.953 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.354 7.232 -9.338 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.012 6.418 -8.527 1.00 0.00 H new ATOM 1349 N LEU A 106 15.790 5.990 -3.765 1.00 0.00 N ATOM 1350 CA LEU A 106 15.090 5.825 -2.483 1.00 0.00 C ATOM 1351 C LEU A 106 15.407 4.445 -1.882 1.00 0.00 C ATOM 1352 O LEU A 106 15.700 3.493 -2.606 1.00 0.00 O ATOM 1353 CB LEU A 106 13.557 5.951 -2.668 1.00 0.00 C ATOM 1354 CG LEU A 106 12.949 7.356 -2.833 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.362 8.053 -4.123 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.425 7.215 -2.834 1.00 0.00 C ATOM 0 H LEU A 106 15.586 5.222 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 106 15.433 6.612 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.280 5.365 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.080 5.482 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 106 13.317 7.966 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.896 9.037 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.446 8.164 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.040 7.458 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.969 8.198 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.119 6.574 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.100 6.773 -1.892 1.00 0.00 H new ATOM 1368 N VAL A 107 15.232 4.304 -0.563 1.00 0.00 N ATOM 1369 CA VAL A 107 15.276 3.000 0.142 1.00 0.00 C ATOM 1370 C VAL A 107 13.958 2.215 0.035 1.00 0.00 C ATOM 1371 O VAL A 107 13.435 1.695 1.022 1.00 0.00 O ATOM 1372 CB VAL A 107 15.783 3.099 1.593 1.00 0.00 C ATOM 1373 CG1 VAL A 107 17.253 3.534 1.621 1.00 0.00 C ATOM 1374 CG2 VAL A 107 14.974 4.049 2.487 1.00 0.00 C ATOM 0 H VAL A 107 15.054 5.093 0.058 1.00 0.00 H new ATOM 0 HA VAL A 107 16.026 2.417 -0.392 1.00 0.00 H new ATOM 0 HB VAL A 107 15.660 2.096 2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.594 3.599 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 107 17.859 2.804 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.353 4.509 1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 107 15.401 4.057 3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 107 15.006 5.056 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.939 3.710 2.536 1.00 0.00 H new