USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 88:sc= 0.566 USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= -0.0134 (180deg=-0.122) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -52:sc= 0.643 USER MOD Single : A 21 GLN : amide:sc= 0.2 K(o=0.2,f=-0.66) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc=-0.00424 (180deg=-0.124) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00142 USER MOD Single : A 31 THR OG1 : rot -36:sc= -0.38 USER MOD Single : A 33 SER OG : rot 180:sc= -0.274 USER MOD Single : A 40 ASN : amide:sc= -0.883 K(o=-0.88,f=-3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 67 ASN : amide:sc= 0.486 K(o=0.49,f=-0.16) USER MOD Single : A 71 THR OG1 : rot -110:sc= -0.66 USER MOD Single : A 77 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.4!) USER MOD Single : A 80 LYS NZ :NH3+ 139:sc= -0.759 (180deg=-1.05) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 8 8.056 11.293 -6.531 1.00 2.32 N ATOM 84 CA ASP A 8 6.638 11.507 -6.796 1.00 21.42 C ATOM 85 C ASP A 8 6.106 12.687 -5.989 1.00 31.54 C ATOM 86 O ASP A 8 4.896 12.892 -5.897 1.00 42.54 O ATOM 87 CB ASP A 8 5.840 10.245 -6.464 1.00 61.44 C ATOM 88 CG ASP A 8 6.176 9.691 -5.094 1.00 33.43 C ATOM 89 OD1 ASP A 8 5.926 10.394 -4.092 1.00 25.21 O ATOM 90 OD2 ASP A 8 6.687 8.554 -5.023 1.00 33.44 O ATOM 0 HA ASP A 8 6.522 11.733 -7.856 1.00 21.42 H new ATOM 0 HB2 ASP A 8 4.774 10.470 -6.510 1.00 61.44 H new ATOM 0 HB3 ASP A 8 6.038 9.484 -7.219 1.00 61.44 H new ATOM 95 N GLU A 9 7.018 13.457 -5.404 1.00 62.12 N ATOM 96 CA GLU A 9 6.639 14.615 -4.603 1.00 63.11 C ATOM 97 C GLU A 9 6.889 15.911 -5.368 1.00 43.33 C ATOM 98 O GLU A 9 6.264 16.936 -5.094 1.00 42.35 O ATOM 99 CB GLU A 9 7.418 14.629 -3.286 1.00 64.12 C ATOM 100 CG GLU A 9 6.679 15.313 -2.149 1.00 33.44 C ATOM 101 CD GLU A 9 5.509 14.494 -1.638 1.00 52.11 C ATOM 102 OE1 GLU A 9 4.400 14.633 -2.196 1.00 61.00 O ATOM 103 OE2 GLU A 9 5.701 13.715 -0.681 1.00 44.32 O ATOM 0 H GLU A 9 8.024 13.300 -5.470 1.00 62.12 H new ATOM 0 HA GLU A 9 5.573 14.541 -4.386 1.00 63.11 H new ATOM 0 HB2 GLU A 9 7.643 13.603 -2.996 1.00 64.12 H new ATOM 0 HB3 GLU A 9 8.372 15.133 -3.443 1.00 64.12 H new ATOM 0 HG2 GLU A 9 7.373 15.499 -1.329 1.00 33.44 H new ATOM 0 HG3 GLU A 9 6.318 16.284 -2.487 1.00 33.44 H new ATOM 110 N ILE A 10 7.807 15.857 -6.327 1.00 42.55 N ATOM 111 CA ILE A 10 8.140 17.026 -7.132 1.00 54.35 C ATOM 112 C ILE A 10 6.975 17.422 -8.035 1.00 24.44 C ATOM 113 O ILE A 10 6.501 18.557 -7.993 1.00 20.15 O ATOM 114 CB ILE A 10 9.386 16.775 -8.002 1.00 12.22 C ATOM 115 CG1 ILE A 10 10.584 16.415 -7.122 1.00 23.24 C ATOM 116 CG2 ILE A 10 9.694 17.999 -8.851 1.00 45.21 C ATOM 117 CD1 ILE A 10 11.540 15.440 -7.772 1.00 64.24 C ATOM 0 H ILE A 10 8.333 15.017 -6.566 1.00 42.55 H new ATOM 0 HA ILE A 10 8.350 17.838 -6.436 1.00 54.35 H new ATOM 0 HB ILE A 10 9.184 15.937 -8.668 1.00 12.22 H new ATOM 0 HG12 ILE A 10 11.125 17.327 -6.868 1.00 23.24 H new ATOM 0 HG13 ILE A 10 10.222 15.988 -6.187 1.00 23.24 H new ATOM 0 HG21 ILE A 10 10.577 17.806 -9.460 1.00 45.21 H new ATOM 0 HG22 ILE A 10 8.845 18.215 -9.500 1.00 45.21 H new ATOM 0 HG23 ILE A 10 9.881 18.854 -8.202 1.00 45.21 H new ATOM 0 HD11 ILE A 10 12.365 15.230 -7.091 1.00 64.24 H new ATOM 0 HD12 ILE A 10 11.014 14.513 -8.001 1.00 64.24 H new ATOM 0 HD13 ILE A 10 11.931 15.873 -8.693 1.00 64.24 H new ATOM 129 N PHE A 11 6.518 16.477 -8.849 1.00 60.43 N ATOM 130 CA PHE A 11 5.408 16.725 -9.762 1.00 0.43 C ATOM 131 C PHE A 11 4.112 16.961 -8.991 1.00 25.43 C ATOM 132 O PHE A 11 3.239 17.704 -9.436 1.00 54.33 O ATOM 133 CB PHE A 11 5.236 15.547 -10.723 1.00 1.23 C ATOM 134 CG PHE A 11 4.350 14.460 -10.186 1.00 20.14 C ATOM 135 CD1 PHE A 11 4.798 13.615 -9.183 1.00 62.32 C ATOM 136 CD2 PHE A 11 3.069 14.283 -10.683 1.00 12.25 C ATOM 137 CE1 PHE A 11 3.985 12.613 -8.688 1.00 21.12 C ATOM 138 CE2 PHE A 11 2.251 13.283 -10.191 1.00 11.43 C ATOM 139 CZ PHE A 11 2.709 12.448 -9.191 1.00 65.22 C ATOM 0 H PHE A 11 6.899 15.532 -8.895 1.00 60.43 H new ATOM 0 HA PHE A 11 5.637 17.622 -10.337 1.00 0.43 H new ATOM 0 HB2 PHE A 11 4.821 15.912 -11.662 1.00 1.23 H new ATOM 0 HB3 PHE A 11 6.216 15.127 -10.950 1.00 1.23 H new ATOM 0 HD1 PHE A 11 5.794 13.741 -8.784 1.00 62.32 H new ATOM 0 HD2 PHE A 11 2.705 14.934 -11.464 1.00 12.25 H new ATOM 0 HE1 PHE A 11 4.347 11.959 -7.908 1.00 21.12 H new ATOM 0 HE2 PHE A 11 1.255 13.155 -10.588 1.00 11.43 H new ATOM 0 HZ PHE A 11 2.071 11.668 -8.803 1.00 65.22 H new ATOM 149 N SER A 12 3.996 16.321 -7.832 1.00 21.44 N ATOM 150 CA SER A 12 2.806 16.456 -7.000 1.00 21.12 C ATOM 151 C SER A 12 2.779 17.815 -6.308 1.00 12.25 C ATOM 152 O SER A 12 1.762 18.510 -6.316 1.00 21.50 O ATOM 153 CB SER A 12 2.758 15.338 -5.956 1.00 52.31 C ATOM 154 OG SER A 12 1.863 15.660 -4.905 1.00 51.04 O ATOM 0 H SER A 12 4.711 15.704 -7.448 1.00 21.44 H new ATOM 0 HA SER A 12 1.931 16.379 -7.645 1.00 21.12 H new ATOM 0 HB2 SER A 12 2.448 14.407 -6.430 1.00 52.31 H new ATOM 0 HB3 SER A 12 3.756 15.172 -5.550 1.00 52.31 H new ATOM 0 HG SER A 12 0.960 15.363 -5.142 1.00 51.04 H new ATOM 160 N LYS A 13 3.904 18.189 -5.708 1.00 0.31 N ATOM 161 CA LYS A 13 4.012 19.465 -5.011 1.00 45.51 C ATOM 162 C LYS A 13 3.769 20.629 -5.966 1.00 43.44 C ATOM 163 O LYS A 13 3.020 21.555 -5.655 1.00 52.10 O ATOM 164 CB LYS A 13 5.393 19.602 -4.365 1.00 62.34 C ATOM 165 CG LYS A 13 5.536 20.834 -3.488 1.00 73.53 C ATOM 166 CD LYS A 13 6.867 20.846 -2.756 1.00 61.21 C ATOM 167 CE LYS A 13 6.975 22.036 -1.816 1.00 0.34 C ATOM 168 NZ LYS A 13 6.907 23.330 -2.549 1.00 51.50 N ATOM 0 H LYS A 13 4.754 17.626 -5.691 1.00 0.31 H new ATOM 0 HA LYS A 13 3.249 19.491 -4.233 1.00 45.51 H new ATOM 0 HB2 LYS A 13 5.594 18.714 -3.765 1.00 62.34 H new ATOM 0 HB3 LYS A 13 6.150 19.635 -5.149 1.00 62.34 H new ATOM 0 HG2 LYS A 13 5.449 21.731 -4.102 1.00 73.53 H new ATOM 0 HG3 LYS A 13 4.721 20.863 -2.764 1.00 73.53 H new ATOM 0 HD2 LYS A 13 6.980 19.922 -2.189 1.00 61.21 H new ATOM 0 HD3 LYS A 13 7.681 20.878 -3.480 1.00 61.21 H new ATOM 0 HE2 LYS A 13 6.171 21.992 -1.081 1.00 0.34 H new ATOM 0 HE3 LYS A 13 7.914 21.980 -1.265 1.00 0.34 H new ATOM 0 HZ1 LYS A 13 7.169 24.106 -1.908 1.00 51.50 H new ATOM 0 HZ2 LYS A 13 7.566 23.308 -3.353 1.00 51.50 H new ATOM 0 HZ3 LYS A 13 5.939 23.481 -2.898 1.00 51.50 H new ATOM 182 N VAL A 14 4.407 20.576 -7.132 1.00 35.22 N ATOM 183 CA VAL A 14 4.257 21.624 -8.134 1.00 2.32 C ATOM 184 C VAL A 14 2.805 21.755 -8.580 1.00 44.12 C ATOM 185 O VAL A 14 2.281 22.862 -8.705 1.00 61.14 O ATOM 186 CB VAL A 14 5.139 21.352 -9.367 1.00 4.23 C ATOM 187 CG1 VAL A 14 4.917 22.419 -10.428 1.00 62.43 C ATOM 188 CG2 VAL A 14 6.606 21.283 -8.967 1.00 74.04 C ATOM 0 H VAL A 14 5.033 19.818 -7.405 1.00 35.22 H new ATOM 0 HA VAL A 14 4.576 22.556 -7.667 1.00 2.32 H new ATOM 0 HB VAL A 14 4.855 20.388 -9.790 1.00 4.23 H new ATOM 0 HG11 VAL A 14 5.548 22.210 -11.292 1.00 62.43 H new ATOM 0 HG12 VAL A 14 3.871 22.416 -10.734 1.00 62.43 H new ATOM 0 HG13 VAL A 14 5.172 23.397 -10.020 1.00 62.43 H new ATOM 0 HG21 VAL A 14 7.215 21.090 -9.850 1.00 74.04 H new ATOM 0 HG22 VAL A 14 6.906 22.230 -8.519 1.00 74.04 H new ATOM 0 HG23 VAL A 14 6.749 20.479 -8.245 1.00 74.04 H new ATOM 198 N ARG A 15 2.161 20.618 -8.819 1.00 34.34 N ATOM 199 CA ARG A 15 0.769 20.605 -9.252 1.00 33.21 C ATOM 200 C ARG A 15 -0.153 21.088 -8.136 1.00 22.44 C ATOM 201 O ARG A 15 -1.210 21.663 -8.395 1.00 23.13 O ATOM 202 CB ARG A 15 0.362 19.197 -9.690 1.00 72.15 C ATOM 203 CG ARG A 15 -0.553 19.177 -10.904 1.00 44.54 C ATOM 204 CD ARG A 15 0.016 18.310 -12.017 1.00 3.44 C ATOM 205 NE ARG A 15 1.382 18.693 -12.365 1.00 0.22 N ATOM 206 CZ ARG A 15 1.947 18.417 -13.535 1.00 0.01 C ATOM 207 NH1 ARG A 15 1.267 17.760 -14.464 1.00 42.04 N ATOM 208 NH2 ARG A 15 3.194 18.799 -13.777 1.00 65.22 N ATOM 0 H ARG A 15 2.581 19.694 -8.720 1.00 34.34 H new ATOM 0 HA ARG A 15 0.672 21.284 -10.099 1.00 33.21 H new ATOM 0 HB2 ARG A 15 1.260 18.621 -9.913 1.00 72.15 H new ATOM 0 HB3 ARG A 15 -0.138 18.698 -8.860 1.00 72.15 H new ATOM 0 HG2 ARG A 15 -1.535 18.802 -10.615 1.00 44.54 H new ATOM 0 HG3 ARG A 15 -0.696 20.194 -11.270 1.00 44.54 H new ATOM 0 HD2 ARG A 15 0.000 17.265 -11.707 1.00 3.44 H new ATOM 0 HD3 ARG A 15 -0.619 18.390 -12.899 1.00 3.44 H new ATOM 0 HE ARG A 15 1.932 19.200 -11.672 1.00 0.22 H new ATOM 0 HH11 ARG A 15 0.308 17.465 -14.281 1.00 42.04 H new ATOM 0 HH12 ARG A 15 1.703 17.549 -15.362 1.00 42.04 H new ATOM 0 HH21 ARG A 15 3.720 19.305 -13.064 1.00 65.22 H new ATOM 0 HH22 ARG A 15 3.627 18.587 -14.676 1.00 65.22 H new ATOM 222 N SER A 16 0.256 20.849 -6.893 1.00 75.24 N ATOM 223 CA SER A 16 -0.535 21.255 -5.737 1.00 51.15 C ATOM 224 C SER A 16 -0.791 22.759 -5.756 1.00 11.01 C ATOM 225 O SER A 16 -1.769 23.240 -5.183 1.00 53.12 O ATOM 226 CB SER A 16 0.178 20.864 -4.442 1.00 24.30 C ATOM 227 OG SER A 16 -0.674 21.026 -3.321 1.00 44.53 O ATOM 0 H SER A 16 1.130 20.377 -6.661 1.00 75.24 H new ATOM 0 HA SER A 16 -1.494 20.740 -5.785 1.00 51.15 H new ATOM 0 HB2 SER A 16 0.509 19.827 -4.504 1.00 24.30 H new ATOM 0 HB3 SER A 16 1.071 21.477 -4.316 1.00 24.30 H new ATOM 0 HG SER A 16 -0.195 20.768 -2.506 1.00 44.53 H new ATOM 233 N ILE A 17 0.095 23.495 -6.418 1.00 11.52 N ATOM 234 CA ILE A 17 -0.035 24.944 -6.512 1.00 41.23 C ATOM 235 C ILE A 17 -1.101 25.335 -7.530 1.00 13.43 C ATOM 236 O ILE A 17 -2.030 26.080 -7.215 1.00 12.01 O ATOM 237 CB ILE A 17 1.300 25.605 -6.905 1.00 31.41 C ATOM 238 CG1 ILE A 17 2.334 25.415 -5.793 1.00 50.51 C ATOM 239 CG2 ILE A 17 1.093 27.083 -7.198 1.00 3.24 C ATOM 240 CD1 ILE A 17 3.436 24.443 -6.152 1.00 35.24 C ATOM 0 H ILE A 17 0.910 23.112 -6.897 1.00 11.52 H new ATOM 0 HA ILE A 17 -0.330 25.299 -5.525 1.00 41.23 H new ATOM 0 HB ILE A 17 1.675 25.125 -7.809 1.00 31.41 H new ATOM 0 HG12 ILE A 17 2.777 26.381 -5.551 1.00 50.51 H new ATOM 0 HG13 ILE A 17 1.828 25.062 -4.894 1.00 50.51 H new ATOM 0 HG21 ILE A 17 2.045 27.536 -7.474 1.00 3.24 H new ATOM 0 HG22 ILE A 17 0.386 27.195 -8.020 1.00 3.24 H new ATOM 0 HG23 ILE A 17 0.699 27.578 -6.310 1.00 3.24 H new ATOM 0 HD11 ILE A 17 4.132 24.358 -5.318 1.00 35.24 H new ATOM 0 HD12 ILE A 17 3.004 23.465 -6.365 1.00 35.24 H new ATOM 0 HD13 ILE A 17 3.967 24.804 -7.032 1.00 35.24 H new ATOM 252 N ILE A 18 -0.962 24.827 -8.749 1.00 52.14 N ATOM 253 CA ILE A 18 -1.915 25.121 -9.812 1.00 55.12 C ATOM 254 C ILE A 18 -3.270 24.482 -9.528 1.00 34.04 C ATOM 255 O ILE A 18 -4.310 24.997 -9.940 1.00 21.41 O ATOM 256 CB ILE A 18 -1.405 24.628 -11.179 1.00 23.22 C ATOM 257 CG1 ILE A 18 -1.119 23.125 -11.129 1.00 51.40 C ATOM 258 CG2 ILE A 18 -0.157 25.396 -11.587 1.00 2.52 C ATOM 259 CD1 ILE A 18 -0.587 22.568 -12.431 1.00 5.15 C ATOM 0 H ILE A 18 -0.199 24.210 -9.026 1.00 52.14 H new ATOM 0 HA ILE A 18 -2.026 26.205 -9.844 1.00 55.12 H new ATOM 0 HB ILE A 18 -2.179 24.808 -11.925 1.00 23.22 H new ATOM 0 HG12 ILE A 18 -0.397 22.927 -10.336 1.00 51.40 H new ATOM 0 HG13 ILE A 18 -2.036 22.597 -10.865 1.00 51.40 H new ATOM 0 HG21 ILE A 18 0.191 25.036 -12.555 1.00 2.52 H new ATOM 0 HG22 ILE A 18 -0.390 26.458 -11.657 1.00 2.52 H new ATOM 0 HG23 ILE A 18 0.623 25.245 -10.841 1.00 2.52 H new ATOM 0 HD11 ILE A 18 -0.407 21.498 -12.323 1.00 5.15 H new ATOM 0 HD12 ILE A 18 -1.317 22.735 -13.223 1.00 5.15 H new ATOM 0 HD13 ILE A 18 0.347 23.069 -12.687 1.00 5.15 H new ATOM 271 N SER A 19 -3.251 23.358 -8.818 1.00 72.15 N ATOM 272 CA SER A 19 -4.478 22.647 -8.480 1.00 33.33 C ATOM 273 C SER A 19 -5.518 23.602 -7.902 1.00 11.10 C ATOM 274 O SER A 19 -6.721 23.377 -8.029 1.00 50.14 O ATOM 275 CB SER A 19 -4.185 21.528 -7.478 1.00 44.21 C ATOM 276 OG SER A 19 -3.863 22.057 -6.203 1.00 60.32 O ATOM 0 H SER A 19 -2.399 22.921 -8.466 1.00 72.15 H new ATOM 0 HA SER A 19 -4.879 22.211 -9.395 1.00 33.33 H new ATOM 0 HB2 SER A 19 -5.053 20.873 -7.395 1.00 44.21 H new ATOM 0 HB3 SER A 19 -3.358 20.917 -7.841 1.00 44.21 H new ATOM 0 HG SER A 19 -3.154 22.727 -6.296 1.00 60.32 H new ATOM 282 N GLU A 20 -5.044 24.669 -7.266 1.00 42.15 N ATOM 283 CA GLU A 20 -5.932 25.659 -6.668 1.00 72.52 C ATOM 284 C GLU A 20 -6.878 26.244 -7.713 1.00 65.45 C ATOM 285 O GLU A 20 -8.097 26.195 -7.558 1.00 33.24 O ATOM 286 CB GLU A 20 -5.119 26.779 -6.016 1.00 61.32 C ATOM 287 CG GLU A 20 -5.958 27.735 -5.186 1.00 5.55 C ATOM 288 CD GLU A 20 -5.115 28.743 -4.427 1.00 63.44 C ATOM 289 OE1 GLU A 20 -4.720 29.762 -5.032 1.00 33.43 O ATOM 290 OE2 GLU A 20 -4.850 28.511 -3.229 1.00 42.11 O ATOM 0 H GLU A 20 -4.050 24.870 -7.152 1.00 42.15 H new ATOM 0 HA GLU A 20 -6.527 25.160 -5.903 1.00 72.52 H new ATOM 0 HB2 GLU A 20 -4.351 26.337 -5.381 1.00 61.32 H new ATOM 0 HB3 GLU A 20 -4.603 27.343 -6.794 1.00 61.32 H new ATOM 0 HG2 GLU A 20 -6.651 28.265 -5.839 1.00 5.55 H new ATOM 0 HG3 GLU A 20 -6.560 27.164 -4.479 1.00 5.55 H new ATOM 297 N GLN A 21 -6.304 26.796 -8.778 1.00 14.54 N ATOM 298 CA GLN A 21 -7.096 27.392 -9.848 1.00 4.12 C ATOM 299 C GLN A 21 -7.525 26.335 -10.860 1.00 51.31 C ATOM 300 O GLN A 21 -8.686 26.287 -11.268 1.00 52.25 O ATOM 301 CB GLN A 21 -6.297 28.492 -10.549 1.00 54.50 C ATOM 302 CG GLN A 21 -6.398 29.847 -9.865 1.00 63.44 C ATOM 303 CD GLN A 21 -5.673 29.884 -8.535 1.00 24.44 C ATOM 304 OE1 GLN A 21 -4.562 29.367 -8.405 1.00 13.11 O ATOM 305 NE2 GLN A 21 -6.298 30.496 -7.536 1.00 41.53 N ATOM 0 H GLN A 21 -5.295 26.843 -8.923 1.00 14.54 H new ATOM 0 HA GLN A 21 -7.991 27.829 -9.405 1.00 4.12 H new ATOM 0 HB2 GLN A 21 -5.249 28.195 -10.596 1.00 54.50 H new ATOM 0 HB3 GLN A 21 -6.648 28.586 -11.577 1.00 54.50 H new ATOM 0 HG2 GLN A 21 -5.985 30.613 -10.521 1.00 63.44 H new ATOM 0 HG3 GLN A 21 -7.448 30.094 -9.709 1.00 63.44 H new ATOM 0 HE21 GLN A 21 -7.217 30.911 -7.687 1.00 41.53 H new ATOM 0 HE22 GLN A 21 -5.859 30.551 -6.617 1.00 41.53 H new ATOM 314 N LEU A 22 -6.582 25.490 -11.262 1.00 11.33 N ATOM 315 CA LEU A 22 -6.863 24.433 -12.227 1.00 44.43 C ATOM 316 C LEU A 22 -7.919 23.472 -11.691 1.00 43.32 C ATOM 317 O LEU A 22 -8.700 22.904 -12.454 1.00 53.43 O ATOM 318 CB LEU A 22 -5.581 23.667 -12.561 1.00 35.02 C ATOM 319 CG LEU A 22 -4.763 24.206 -13.734 1.00 42.42 C ATOM 320 CD1 LEU A 22 -4.505 25.696 -13.565 1.00 71.34 C ATOM 321 CD2 LEU A 22 -3.450 23.447 -13.862 1.00 52.34 C ATOM 0 H LEU A 22 -5.616 25.516 -10.935 1.00 11.33 H new ATOM 0 HA LEU A 22 -7.249 24.897 -13.135 1.00 44.43 H new ATOM 0 HB2 LEU A 22 -4.946 23.658 -11.675 1.00 35.02 H new ATOM 0 HB3 LEU A 22 -5.846 22.631 -12.774 1.00 35.02 H new ATOM 0 HG LEU A 22 -5.336 24.059 -14.650 1.00 42.42 H new ATOM 0 HD11 LEU A 22 -3.921 26.062 -14.410 1.00 71.34 H new ATOM 0 HD12 LEU A 22 -5.456 26.227 -13.523 1.00 71.34 H new ATOM 0 HD13 LEU A 22 -3.953 25.867 -12.641 1.00 71.34 H new ATOM 0 HD21 LEU A 22 -2.881 23.844 -14.702 1.00 52.34 H new ATOM 0 HD22 LEU A 22 -2.872 23.563 -12.945 1.00 52.34 H new ATOM 0 HD23 LEU A 22 -3.656 22.390 -14.030 1.00 52.34 H new ATOM 333 N ASP A 23 -7.937 23.297 -10.375 1.00 32.44 N ATOM 334 CA ASP A 23 -8.900 22.407 -9.735 1.00 63.24 C ATOM 335 C ASP A 23 -8.876 21.025 -10.382 1.00 43.53 C ATOM 336 O ASP A 23 -9.886 20.323 -10.410 1.00 35.03 O ATOM 337 CB ASP A 23 -10.308 22.999 -9.819 1.00 64.45 C ATOM 338 CG ASP A 23 -11.178 22.591 -8.647 1.00 2.32 C ATOM 339 OD1 ASP A 23 -10.707 22.694 -7.494 1.00 52.23 O ATOM 340 OD2 ASP A 23 -12.330 22.171 -8.881 1.00 63.43 O ATOM 0 H ASP A 23 -7.296 23.759 -9.730 1.00 32.44 H new ATOM 0 HA ASP A 23 -8.620 22.303 -8.687 1.00 63.24 H new ATOM 0 HB2 ASP A 23 -10.240 24.086 -9.856 1.00 64.45 H new ATOM 0 HB3 ASP A 23 -10.780 22.677 -10.747 1.00 64.45 H new ATOM 345 N LYS A 24 -7.715 20.642 -10.903 1.00 72.13 N ATOM 346 CA LYS A 24 -7.558 19.345 -11.550 1.00 62.24 C ATOM 347 C LYS A 24 -6.678 18.422 -10.713 1.00 13.03 C ATOM 348 O LYS A 24 -6.137 18.828 -9.684 1.00 51.01 O ATOM 349 CB LYS A 24 -6.951 19.518 -12.945 1.00 33.33 C ATOM 350 CG LYS A 24 -7.961 19.935 -14.000 1.00 31.22 C ATOM 351 CD LYS A 24 -8.870 18.781 -14.389 1.00 20.11 C ATOM 352 CE LYS A 24 -8.283 17.971 -15.535 1.00 52.31 C ATOM 353 NZ LYS A 24 -8.654 18.538 -16.861 1.00 75.33 N ATOM 0 H LYS A 24 -6.869 21.212 -10.890 1.00 72.13 H new ATOM 0 HA LYS A 24 -8.545 18.892 -11.643 1.00 62.24 H new ATOM 0 HB2 LYS A 24 -6.159 20.265 -12.897 1.00 33.33 H new ATOM 0 HB3 LYS A 24 -6.487 18.580 -13.249 1.00 33.33 H new ATOM 0 HG2 LYS A 24 -8.563 20.762 -13.622 1.00 31.22 H new ATOM 0 HG3 LYS A 24 -7.436 20.300 -14.883 1.00 31.22 H new ATOM 0 HD2 LYS A 24 -9.026 18.133 -13.527 1.00 20.11 H new ATOM 0 HD3 LYS A 24 -9.847 19.168 -14.678 1.00 20.11 H new ATOM 0 HE2 LYS A 24 -7.197 17.944 -15.442 1.00 52.31 H new ATOM 0 HE3 LYS A 24 -8.634 16.941 -15.469 1.00 52.31 H new ATOM 0 HZ1 LYS A 24 -8.235 17.958 -17.616 1.00 75.33 H new ATOM 0 HZ2 LYS A 24 -9.689 18.540 -16.960 1.00 75.33 H new ATOM 0 HZ3 LYS A 24 -8.297 19.512 -16.934 1.00 75.33 H new ATOM 367 N LYS A 25 -6.538 17.179 -11.160 1.00 75.31 N ATOM 368 CA LYS A 25 -5.722 16.198 -10.454 1.00 54.20 C ATOM 369 C LYS A 25 -4.383 15.999 -11.156 1.00 21.41 C ATOM 370 O LYS A 25 -4.317 15.952 -12.384 1.00 22.13 O ATOM 371 CB LYS A 25 -6.463 14.863 -10.357 1.00 33.32 C ATOM 372 CG LYS A 25 -7.309 14.726 -9.103 1.00 10.24 C ATOM 373 CD LYS A 25 -8.632 15.461 -9.240 1.00 32.43 C ATOM 374 CE LYS A 25 -9.603 14.699 -10.128 1.00 72.54 C ATOM 375 NZ LYS A 25 -10.124 13.475 -9.459 1.00 32.40 N ATOM 0 H LYS A 25 -6.980 16.826 -12.009 1.00 75.31 H new ATOM 0 HA LYS A 25 -5.533 16.575 -9.449 1.00 54.20 H new ATOM 0 HB2 LYS A 25 -7.104 14.748 -11.231 1.00 33.32 H new ATOM 0 HB3 LYS A 25 -5.736 14.051 -10.385 1.00 33.32 H new ATOM 0 HG2 LYS A 25 -7.497 13.671 -8.903 1.00 10.24 H new ATOM 0 HG3 LYS A 25 -6.760 15.120 -8.248 1.00 10.24 H new ATOM 0 HD2 LYS A 25 -9.074 15.604 -8.254 1.00 32.43 H new ATOM 0 HD3 LYS A 25 -8.457 16.453 -9.657 1.00 32.43 H new ATOM 0 HE2 LYS A 25 -10.436 15.349 -10.396 1.00 72.54 H new ATOM 0 HE3 LYS A 25 -9.104 14.421 -11.056 1.00 72.54 H new ATOM 0 HZ1 LYS A 25 -10.957 13.125 -9.974 1.00 32.40 H new ATOM 0 HZ2 LYS A 25 -9.387 12.741 -9.454 1.00 32.40 H new ATOM 0 HZ3 LYS A 25 -10.393 13.702 -8.480 1.00 32.40 H new ATOM 389 N GLU A 26 -3.319 15.880 -10.368 1.00 2.21 N ATOM 390 CA GLU A 26 -1.982 15.685 -10.916 1.00 25.15 C ATOM 391 C GLU A 26 -1.876 14.338 -11.625 1.00 43.12 C ATOM 392 O GLU A 26 -0.950 14.106 -12.403 1.00 75.45 O ATOM 393 CB GLU A 26 -0.933 15.772 -9.804 1.00 74.21 C ATOM 394 CG GLU A 26 -1.182 14.808 -8.656 1.00 61.44 C ATOM 395 CD GLU A 26 -0.677 15.338 -7.329 1.00 1.42 C ATOM 396 OE1 GLU A 26 -0.744 16.567 -7.116 1.00 44.03 O ATOM 397 OE2 GLU A 26 -0.215 14.524 -6.502 1.00 40.11 O ATOM 0 H GLU A 26 -3.357 15.915 -9.349 1.00 2.21 H new ATOM 0 HA GLU A 26 -1.797 16.475 -11.644 1.00 25.15 H new ATOM 0 HB2 GLU A 26 0.051 15.572 -10.228 1.00 74.21 H new ATOM 0 HB3 GLU A 26 -0.912 16.790 -9.415 1.00 74.21 H new ATOM 0 HG2 GLU A 26 -2.251 14.608 -8.580 1.00 61.44 H new ATOM 0 HG3 GLU A 26 -0.694 13.857 -8.873 1.00 61.44 H new ATOM 404 N ASP A 27 -2.829 13.455 -11.350 1.00 71.14 N ATOM 405 CA ASP A 27 -2.844 12.131 -11.962 1.00 55.22 C ATOM 406 C ASP A 27 -3.496 12.177 -13.341 1.00 13.14 C ATOM 407 O ASP A 27 -3.787 11.139 -13.935 1.00 3.53 O ATOM 408 CB ASP A 27 -3.588 11.140 -11.065 1.00 51.14 C ATOM 409 CG ASP A 27 -3.286 9.698 -11.422 1.00 20.25 C ATOM 410 OD1 ASP A 27 -2.211 9.444 -12.004 1.00 74.44 O ATOM 411 OD2 ASP A 27 -4.124 8.823 -11.118 1.00 55.21 O ATOM 0 H ASP A 27 -3.601 13.631 -10.707 1.00 71.14 H new ATOM 0 HA ASP A 27 -1.812 11.800 -12.079 1.00 55.22 H new ATOM 0 HB2 ASP A 27 -3.314 11.319 -10.025 1.00 51.14 H new ATOM 0 HB3 ASP A 27 -4.661 11.315 -11.147 1.00 51.14 H new ATOM 416 N GLU A 28 -3.724 13.387 -13.842 1.00 11.10 N ATOM 417 CA GLU A 28 -4.344 13.567 -15.150 1.00 4.24 C ATOM 418 C GLU A 28 -3.300 13.495 -16.261 1.00 31.33 C ATOM 419 O GLU A 28 -3.597 13.769 -17.424 1.00 3.31 O ATOM 420 CB GLU A 28 -5.077 14.909 -15.211 1.00 32.43 C ATOM 421 CG GLU A 28 -6.400 14.913 -14.464 1.00 12.45 C ATOM 422 CD GLU A 28 -7.517 14.253 -15.249 1.00 45.55 C ATOM 423 OE1 GLU A 28 -7.243 13.753 -16.361 1.00 13.32 O ATOM 424 OE2 GLU A 28 -8.663 14.237 -14.754 1.00 45.30 O ATOM 0 H GLU A 28 -3.489 14.256 -13.363 1.00 11.10 H new ATOM 0 HA GLU A 28 -5.063 12.761 -15.297 1.00 4.24 H new ATOM 0 HB2 GLU A 28 -4.433 15.685 -14.797 1.00 32.43 H new ATOM 0 HB3 GLU A 28 -5.257 15.168 -16.254 1.00 32.43 H new ATOM 0 HG2 GLU A 28 -6.277 14.397 -13.512 1.00 12.45 H new ATOM 0 HG3 GLU A 28 -6.680 15.941 -14.235 1.00 12.45 H new ATOM 431 N ILE A 29 -2.078 13.124 -15.893 1.00 72.23 N ATOM 432 CA ILE A 29 -0.991 13.015 -16.858 1.00 71.32 C ATOM 433 C ILE A 29 -1.420 12.210 -18.080 1.00 64.15 C ATOM 434 O ILE A 29 -1.690 11.012 -17.986 1.00 42.12 O ATOM 435 CB ILE A 29 0.252 12.355 -16.233 1.00 62.21 C ATOM 436 CG1 ILE A 29 0.769 13.195 -15.063 1.00 53.14 C ATOM 437 CG2 ILE A 29 1.339 12.173 -17.282 1.00 71.41 C ATOM 438 CD1 ILE A 29 1.139 14.609 -15.452 1.00 43.14 C ATOM 0 H ILE A 29 -1.816 12.894 -14.934 1.00 72.23 H new ATOM 0 HA ILE A 29 -0.738 14.030 -17.165 1.00 71.32 H new ATOM 0 HB ILE A 29 -0.029 11.372 -15.854 1.00 62.21 H new ATOM 0 HG12 ILE A 29 0.006 13.229 -14.285 1.00 53.14 H new ATOM 0 HG13 ILE A 29 1.642 12.705 -14.632 1.00 53.14 H new ATOM 0 HG21 ILE A 29 2.211 11.705 -16.825 1.00 71.41 H new ATOM 0 HG22 ILE A 29 0.966 11.538 -18.086 1.00 71.41 H new ATOM 0 HG23 ILE A 29 1.619 13.145 -17.688 1.00 71.41 H new ATOM 0 HD11 ILE A 29 1.497 15.146 -14.574 1.00 43.14 H new ATOM 0 HD12 ILE A 29 1.924 14.585 -16.208 1.00 43.14 H new ATOM 0 HD13 ILE A 29 0.263 15.117 -15.855 1.00 43.14 H new ATOM 450 N THR A 30 -1.478 12.876 -19.230 1.00 34.42 N ATOM 451 CA THR A 30 -1.873 12.223 -20.472 1.00 11.13 C ATOM 452 C THR A 30 -1.499 13.072 -21.682 1.00 34.34 C ATOM 453 O THR A 30 -1.334 14.287 -21.574 1.00 13.30 O ATOM 454 CB THR A 30 -3.388 11.944 -20.503 1.00 23.21 C ATOM 455 OG1 THR A 30 -3.751 11.352 -21.755 1.00 51.33 O ATOM 456 CG2 THR A 30 -4.179 13.226 -20.293 1.00 42.24 C ATOM 0 H THR A 30 -1.256 13.867 -19.326 1.00 34.42 H new ATOM 0 HA THR A 30 -1.336 11.276 -20.516 1.00 11.13 H new ATOM 0 HB THR A 30 -3.625 11.254 -19.693 1.00 23.21 H new ATOM 0 HG1 THR A 30 -4.715 11.176 -21.766 1.00 51.33 H new ATOM 0 HG21 THR A 30 -5.246 13.004 -20.319 1.00 42.24 H new ATOM 0 HG22 THR A 30 -3.922 13.658 -19.326 1.00 42.24 H new ATOM 0 HG23 THR A 30 -3.937 13.936 -21.084 1.00 42.24 H new ATOM 464 N THR A 31 -1.367 12.424 -22.835 1.00 74.11 N ATOM 465 CA THR A 31 -1.013 13.119 -24.066 1.00 4.21 C ATOM 466 C THR A 31 -2.230 13.797 -24.685 1.00 63.31 C ATOM 467 O THR A 31 -2.106 14.567 -25.637 1.00 43.04 O ATOM 468 CB THR A 31 -0.395 12.156 -25.097 1.00 73.03 C ATOM 469 OG1 THR A 31 -0.087 12.862 -26.304 1.00 51.31 O ATOM 470 CG2 THR A 31 -1.347 11.009 -25.404 1.00 4.12 C ATOM 0 H THR A 31 -1.500 11.418 -22.942 1.00 74.11 H new ATOM 0 HA THR A 31 -0.276 13.876 -23.800 1.00 4.21 H new ATOM 0 HB THR A 31 0.521 11.744 -24.673 1.00 73.03 H new ATOM 0 HG1 THR A 31 -0.777 13.537 -26.473 1.00 51.31 H new ATOM 0 HG21 THR A 31 -0.889 10.342 -26.134 1.00 4.12 H new ATOM 0 HG22 THR A 31 -1.557 10.456 -24.489 1.00 4.12 H new ATOM 0 HG23 THR A 31 -2.277 11.407 -25.809 1.00 4.12 H new ATOM 478 N ASP A 32 -3.405 13.506 -24.138 1.00 61.33 N ATOM 479 CA ASP A 32 -4.645 14.089 -24.636 1.00 73.24 C ATOM 480 C ASP A 32 -5.051 15.298 -23.800 1.00 53.31 C ATOM 481 O ASP A 32 -6.193 15.755 -23.864 1.00 63.22 O ATOM 482 CB ASP A 32 -5.764 13.046 -24.625 1.00 15.40 C ATOM 483 CG ASP A 32 -5.851 12.275 -25.927 1.00 43.34 C ATOM 484 OD1 ASP A 32 -4.793 11.847 -26.435 1.00 22.53 O ATOM 485 OD2 ASP A 32 -6.976 12.100 -26.439 1.00 70.21 O ATOM 0 H ASP A 32 -3.525 12.870 -23.350 1.00 61.33 H new ATOM 0 HA ASP A 32 -4.477 14.419 -25.661 1.00 73.24 H new ATOM 0 HB2 ASP A 32 -5.598 12.349 -23.804 1.00 15.40 H new ATOM 0 HB3 ASP A 32 -6.716 13.541 -24.435 1.00 15.40 H new ATOM 490 N SER A 33 -4.109 15.812 -23.015 1.00 74.03 N ATOM 491 CA SER A 33 -4.370 16.966 -22.162 1.00 74.54 C ATOM 492 C SER A 33 -3.570 18.178 -22.628 1.00 70.14 C ATOM 493 O SER A 33 -4.133 19.235 -22.914 1.00 32.14 O ATOM 494 CB SER A 33 -4.024 16.640 -20.708 1.00 72.12 C ATOM 495 OG SER A 33 -5.111 16.007 -20.055 1.00 24.42 O ATOM 0 H SER A 33 -3.158 15.448 -22.952 1.00 74.03 H new ATOM 0 HA SER A 33 -5.431 17.205 -22.231 1.00 74.54 H new ATOM 0 HB2 SER A 33 -3.149 15.991 -20.676 1.00 72.12 H new ATOM 0 HB3 SER A 33 -3.761 17.556 -20.179 1.00 72.12 H new ATOM 0 HG SER A 33 -4.864 15.807 -19.128 1.00 24.42 H new ATOM 501 N ARG A 34 -2.253 18.016 -22.703 1.00 0.41 N ATOM 502 CA ARG A 34 -1.374 19.097 -23.133 1.00 1.13 C ATOM 503 C ARG A 34 -1.522 20.313 -22.223 1.00 23.14 C ATOM 504 O ARG A 34 -2.240 20.270 -21.224 1.00 30.14 O ATOM 505 CB ARG A 34 -1.682 19.489 -24.579 1.00 61.11 C ATOM 506 CG ARG A 34 -1.269 18.438 -25.596 1.00 62.41 C ATOM 507 CD ARG A 34 -1.416 18.952 -27.020 1.00 24.43 C ATOM 508 NE ARG A 34 -0.152 19.451 -27.554 1.00 64.13 N ATOM 509 CZ ARG A 34 0.019 19.810 -28.822 1.00 5.54 C ATOM 510 NH1 ARG A 34 -0.988 19.727 -29.680 1.00 22.24 N ATOM 511 NH2 ARG A 34 1.200 20.255 -29.233 1.00 1.33 N ATOM 0 H ARG A 34 -1.771 17.147 -22.472 1.00 0.41 H new ATOM 0 HA ARG A 34 -0.346 18.741 -23.071 1.00 1.13 H new ATOM 0 HB2 ARG A 34 -2.752 19.676 -24.676 1.00 61.11 H new ATOM 0 HB3 ARG A 34 -1.173 20.425 -24.809 1.00 61.11 H new ATOM 0 HG2 ARG A 34 -0.234 18.146 -25.419 1.00 62.41 H new ATOM 0 HG3 ARG A 34 -1.880 17.544 -25.466 1.00 62.41 H new ATOM 0 HD2 ARG A 34 -1.788 18.151 -27.658 1.00 24.43 H new ATOM 0 HD3 ARG A 34 -2.159 19.749 -27.043 1.00 24.43 H new ATOM 0 HE ARG A 34 0.643 19.528 -26.919 1.00 64.13 H new ATOM 0 HH11 ARG A 34 -1.897 19.387 -29.368 1.00 22.24 H new ATOM 0 HH12 ARG A 34 -0.853 20.003 -30.653 1.00 22.24 H new ATOM 0 HH21 ARG A 34 1.977 20.322 -28.575 1.00 1.33 H new ATOM 0 HH22 ARG A 34 1.331 20.530 -30.206 1.00 1.33 H new ATOM 525 N PHE A 35 -0.837 21.396 -22.575 1.00 22.13 N ATOM 526 CA PHE A 35 -0.890 22.623 -21.789 1.00 54.31 C ATOM 527 C PHE A 35 -2.273 23.263 -21.874 1.00 40.40 C ATOM 528 O PHE A 35 -2.737 23.894 -20.924 1.00 41.31 O ATOM 529 CB PHE A 35 0.172 23.611 -22.274 1.00 42.45 C ATOM 530 CG PHE A 35 1.566 23.053 -22.250 1.00 61.53 C ATOM 531 CD1 PHE A 35 2.036 22.376 -21.136 1.00 71.53 C ATOM 532 CD2 PHE A 35 2.406 23.204 -23.341 1.00 64.35 C ATOM 533 CE1 PHE A 35 3.318 21.861 -21.111 1.00 44.13 C ATOM 534 CE2 PHE A 35 3.690 22.691 -23.322 1.00 72.14 C ATOM 535 CZ PHE A 35 4.146 22.018 -22.206 1.00 70.20 C ATOM 0 H PHE A 35 -0.239 21.449 -23.399 1.00 22.13 H new ATOM 0 HA PHE A 35 -0.690 22.368 -20.748 1.00 54.31 H new ATOM 0 HB2 PHE A 35 -0.069 23.921 -23.291 1.00 42.45 H new ATOM 0 HB3 PHE A 35 0.136 24.505 -21.651 1.00 42.45 H new ATOM 0 HD1 PHE A 35 1.393 22.249 -20.278 1.00 71.53 H new ATOM 0 HD2 PHE A 35 2.054 23.729 -24.217 1.00 64.35 H new ATOM 0 HE1 PHE A 35 3.673 21.336 -20.236 1.00 44.13 H new ATOM 0 HE2 PHE A 35 4.335 22.817 -24.179 1.00 72.14 H new ATOM 0 HZ PHE A 35 5.148 21.615 -22.189 1.00 70.20 H new ATOM 545 N VAL A 36 -2.926 23.097 -23.020 1.00 34.44 N ATOM 546 CA VAL A 36 -4.256 23.657 -23.230 1.00 21.11 C ATOM 547 C VAL A 36 -5.236 23.157 -22.175 1.00 33.20 C ATOM 548 O VAL A 36 -5.953 23.944 -21.558 1.00 32.42 O ATOM 549 CB VAL A 36 -4.799 23.304 -24.628 1.00 2.44 C ATOM 550 CG1 VAL A 36 -4.043 24.070 -25.703 1.00 25.51 C ATOM 551 CG2 VAL A 36 -4.714 21.805 -24.869 1.00 60.11 C ATOM 0 H VAL A 36 -2.556 22.579 -23.817 1.00 34.44 H new ATOM 0 HA VAL A 36 -4.160 24.740 -23.148 1.00 21.11 H new ATOM 0 HB VAL A 36 -5.848 23.597 -24.677 1.00 2.44 H new ATOM 0 HG11 VAL A 36 -4.440 23.808 -26.684 1.00 25.51 H new ATOM 0 HG12 VAL A 36 -4.161 25.141 -25.538 1.00 25.51 H new ATOM 0 HG13 VAL A 36 -2.985 23.811 -25.659 1.00 25.51 H new ATOM 0 HG21 VAL A 36 -5.102 21.573 -25.861 1.00 60.11 H new ATOM 0 HG22 VAL A 36 -3.675 21.484 -24.802 1.00 60.11 H new ATOM 0 HG23 VAL A 36 -5.305 21.282 -24.117 1.00 60.11 H new ATOM 561 N GLU A 37 -5.261 21.843 -21.973 1.00 70.04 N ATOM 562 CA GLU A 37 -6.154 21.238 -20.992 1.00 54.05 C ATOM 563 C GLU A 37 -5.541 21.285 -19.596 1.00 41.10 C ATOM 564 O GLU A 37 -6.131 21.834 -18.665 1.00 40.13 O ATOM 565 CB GLU A 37 -6.464 19.790 -21.377 1.00 33.22 C ATOM 566 CG GLU A 37 -7.848 19.329 -20.949 1.00 5.12 C ATOM 567 CD GLU A 37 -8.957 20.045 -21.694 1.00 13.35 C ATOM 568 OE1 GLU A 37 -8.743 20.411 -22.868 1.00 45.32 O ATOM 569 OE2 GLU A 37 -10.040 20.240 -21.102 1.00 62.04 O ATOM 0 H GLU A 37 -4.673 21.178 -22.475 1.00 70.04 H new ATOM 0 HA GLU A 37 -7.082 21.810 -20.981 1.00 54.05 H new ATOM 0 HB2 GLU A 37 -6.373 19.683 -22.458 1.00 33.22 H new ATOM 0 HB3 GLU A 37 -5.717 19.136 -20.928 1.00 33.22 H new ATOM 0 HG2 GLU A 37 -7.937 18.256 -21.116 1.00 5.12 H new ATOM 0 HG3 GLU A 37 -7.968 19.496 -19.879 1.00 5.12 H new ATOM 576 N ASP A 38 -4.354 20.705 -19.458 1.00 42.21 N ATOM 577 CA ASP A 38 -3.659 20.681 -18.176 1.00 70.32 C ATOM 578 C ASP A 38 -3.395 22.097 -17.674 1.00 63.32 C ATOM 579 O ASP A 38 -3.929 22.512 -16.645 1.00 51.00 O ATOM 580 CB ASP A 38 -2.340 19.916 -18.301 1.00 73.01 C ATOM 581 CG ASP A 38 -1.640 19.749 -16.967 1.00 65.42 C ATOM 582 OD1 ASP A 38 -2.243 19.152 -16.051 1.00 62.23 O ATOM 583 OD2 ASP A 38 -0.488 20.215 -16.839 1.00 11.32 O ATOM 0 H ASP A 38 -3.853 20.245 -20.218 1.00 42.21 H new ATOM 0 HA ASP A 38 -4.298 20.173 -17.454 1.00 70.32 H new ATOM 0 HB2 ASP A 38 -2.532 18.934 -18.733 1.00 73.01 H new ATOM 0 HB3 ASP A 38 -1.681 20.444 -18.990 1.00 73.01 H new ATOM 588 N LEU A 39 -2.567 22.833 -18.406 1.00 45.45 N ATOM 589 CA LEU A 39 -2.230 24.203 -18.035 1.00 42.44 C ATOM 590 C LEU A 39 -3.382 25.152 -18.350 1.00 73.21 C ATOM 591 O LEU A 39 -4.321 24.790 -19.058 1.00 42.04 O ATOM 592 CB LEU A 39 -0.967 24.656 -18.770 1.00 62.01 C ATOM 593 CG LEU A 39 0.212 25.067 -17.888 1.00 2.45 C ATOM 594 CD1 LEU A 39 1.500 24.428 -18.384 1.00 54.35 C ATOM 595 CD2 LEU A 39 0.347 26.583 -17.850 1.00 32.32 C ATOM 0 H LEU A 39 -2.116 22.504 -19.260 1.00 45.45 H new ATOM 0 HA LEU A 39 -2.047 24.227 -16.961 1.00 42.44 H new ATOM 0 HB2 LEU A 39 -0.641 23.847 -19.423 1.00 62.01 H new ATOM 0 HB3 LEU A 39 -1.226 25.499 -19.411 1.00 62.01 H new ATOM 0 HG LEU A 39 0.022 24.713 -16.875 1.00 2.45 H new ATOM 0 HD11 LEU A 39 2.328 24.733 -17.743 1.00 54.35 H new ATOM 0 HD12 LEU A 39 1.401 23.343 -18.358 1.00 54.35 H new ATOM 0 HD13 LEU A 39 1.696 24.750 -19.407 1.00 54.35 H new ATOM 0 HD21 LEU A 39 1.191 26.857 -17.218 1.00 32.32 H new ATOM 0 HD22 LEU A 39 0.513 26.959 -18.860 1.00 32.32 H new ATOM 0 HD23 LEU A 39 -0.566 27.020 -17.446 1.00 32.32 H new ATOM 607 N ASN A 40 -3.303 26.368 -17.820 1.00 44.01 N ATOM 608 CA ASN A 40 -4.339 27.369 -18.046 1.00 5.51 C ATOM 609 C ASN A 40 -3.902 28.373 -19.109 1.00 75.23 C ATOM 610 O ASN A 40 -4.263 29.548 -19.053 1.00 42.21 O ATOM 611 CB ASN A 40 -4.663 28.100 -16.742 1.00 14.53 C ATOM 612 CG ASN A 40 -3.416 28.529 -15.993 1.00 31.22 C ATOM 613 OD1 ASN A 40 -2.403 28.876 -16.600 1.00 23.33 O ATOM 614 ND2 ASN A 40 -3.485 28.506 -14.667 1.00 12.11 N ATOM 0 H ASN A 40 -2.532 26.684 -17.231 1.00 44.01 H new ATOM 0 HA ASN A 40 -5.234 26.857 -18.400 1.00 5.51 H new ATOM 0 HB2 ASN A 40 -5.271 28.978 -16.962 1.00 14.53 H new ATOM 0 HB3 ASN A 40 -5.261 27.450 -16.103 1.00 14.53 H new ATOM 0 HD21 ASN A 40 -2.677 28.783 -14.109 1.00 12.11 H new ATOM 0 HD22 ASN A 40 -4.346 28.211 -14.206 1.00 12.11 H new ATOM 621 N ALA A 41 -3.125 27.900 -20.078 1.00 72.10 N ATOM 622 CA ALA A 41 -2.642 28.754 -21.156 1.00 12.23 C ATOM 623 C ALA A 41 -2.261 27.930 -22.381 1.00 15.11 C ATOM 624 O ALA A 41 -2.504 26.724 -22.430 1.00 13.24 O ATOM 625 CB ALA A 41 -1.455 29.580 -20.683 1.00 21.12 C ATOM 0 H ALA A 41 -2.817 26.930 -20.138 1.00 72.10 H new ATOM 0 HA ALA A 41 -3.449 29.428 -21.441 1.00 12.23 H new ATOM 0 HB1 ALA A 41 -1.104 30.213 -21.498 1.00 21.12 H new ATOM 0 HB2 ALA A 41 -1.758 30.205 -19.843 1.00 21.12 H new ATOM 0 HB3 ALA A 41 -0.651 28.915 -20.369 1.00 21.12 H new ATOM 631 N ASP A 42 -1.665 28.588 -23.368 1.00 44.35 N ATOM 632 CA ASP A 42 -1.250 27.916 -24.594 1.00 41.03 C ATOM 633 C ASP A 42 0.267 27.759 -24.642 1.00 12.14 C ATOM 634 O ASP A 42 0.991 28.394 -23.875 1.00 33.25 O ATOM 635 CB ASP A 42 -1.733 28.697 -25.818 1.00 23.32 C ATOM 636 CG ASP A 42 -1.826 27.830 -27.058 1.00 31.41 C ATOM 637 OD1 ASP A 42 -2.108 26.621 -26.917 1.00 11.53 O ATOM 638 OD2 ASP A 42 -1.616 28.359 -28.170 1.00 15.04 O ATOM 0 H ASP A 42 -1.458 29.586 -23.344 1.00 44.35 H new ATOM 0 HA ASP A 42 -1.700 26.923 -24.605 1.00 41.03 H new ATOM 0 HB2 ASP A 42 -2.711 29.130 -25.607 1.00 23.32 H new ATOM 0 HB3 ASP A 42 -1.052 29.526 -26.008 1.00 23.32 H new ATOM 643 N SER A 43 0.741 26.909 -25.547 1.00 33.45 N ATOM 644 CA SER A 43 2.171 26.664 -25.691 1.00 1.44 C ATOM 645 C SER A 43 2.928 27.973 -25.898 1.00 75.12 C ATOM 646 O SER A 43 4.125 28.061 -25.625 1.00 44.42 O ATOM 647 CB SER A 43 2.433 25.719 -26.865 1.00 12.04 C ATOM 648 OG SER A 43 2.522 26.434 -28.085 1.00 33.11 O ATOM 0 H SER A 43 0.155 26.378 -26.192 1.00 33.45 H new ATOM 0 HA SER A 43 2.529 26.198 -24.773 1.00 1.44 H new ATOM 0 HB2 SER A 43 3.358 25.169 -26.694 1.00 12.04 H new ATOM 0 HB3 SER A 43 1.632 24.983 -26.929 1.00 12.04 H new ATOM 0 HG SER A 43 2.691 25.808 -28.820 1.00 33.11 H new ATOM 654 N LEU A 44 2.220 28.987 -26.383 1.00 51.21 N ATOM 655 CA LEU A 44 2.823 30.293 -26.628 1.00 71.22 C ATOM 656 C LEU A 44 3.565 30.791 -25.392 1.00 34.21 C ATOM 657 O LEU A 44 4.725 31.194 -25.472 1.00 40.04 O ATOM 658 CB LEU A 44 1.750 31.304 -27.035 1.00 35.02 C ATOM 659 CG LEU A 44 0.789 30.857 -28.138 1.00 23.34 C ATOM 660 CD1 LEU A 44 -0.162 31.984 -28.507 1.00 43.41 C ATOM 661 CD2 LEU A 44 1.563 30.387 -29.361 1.00 5.13 C ATOM 0 H LEU A 44 1.228 28.930 -26.614 1.00 51.21 H new ATOM 0 HA LEU A 44 3.541 30.187 -27.442 1.00 71.22 H new ATOM 0 HB2 LEU A 44 1.164 31.557 -26.151 1.00 35.02 H new ATOM 0 HB3 LEU A 44 2.246 32.218 -27.361 1.00 35.02 H new ATOM 0 HG LEU A 44 0.199 30.021 -27.763 1.00 23.34 H new ATOM 0 HD11 LEU A 44 -0.838 31.647 -29.293 1.00 43.41 H new ATOM 0 HD12 LEU A 44 -0.741 32.273 -27.630 1.00 43.41 H new ATOM 0 HD13 LEU A 44 0.410 32.841 -28.863 1.00 43.41 H new ATOM 0 HD21 LEU A 44 0.864 30.073 -30.136 1.00 5.13 H new ATOM 0 HD22 LEU A 44 2.179 31.204 -29.738 1.00 5.13 H new ATOM 0 HD23 LEU A 44 2.202 29.548 -29.087 1.00 5.13 H new ATOM 673 N ASP A 45 2.888 30.758 -24.249 1.00 72.23 N ATOM 674 CA ASP A 45 3.484 31.203 -22.995 1.00 34.43 C ATOM 675 C ASP A 45 4.387 30.122 -22.409 1.00 44.21 C ATOM 676 O ASP A 45 5.314 30.417 -21.654 1.00 44.01 O ATOM 677 CB ASP A 45 2.391 31.571 -21.989 1.00 45.54 C ATOM 678 CG ASP A 45 2.101 33.059 -21.970 1.00 50.31 C ATOM 679 OD1 ASP A 45 3.048 33.851 -22.159 1.00 70.20 O ATOM 680 OD2 ASP A 45 0.927 33.432 -21.765 1.00 54.32 O ATOM 0 H ASP A 45 1.927 30.428 -24.165 1.00 72.23 H new ATOM 0 HA ASP A 45 4.090 32.085 -23.202 1.00 34.43 H new ATOM 0 HB2 ASP A 45 1.478 31.029 -22.234 1.00 45.54 H new ATOM 0 HB3 ASP A 45 2.695 31.250 -20.993 1.00 45.54 H new ATOM 685 N ILE A 46 4.110 28.871 -22.761 1.00 43.44 N ATOM 686 CA ILE A 46 4.898 27.748 -22.271 1.00 24.34 C ATOM 687 C ILE A 46 6.276 27.716 -22.923 1.00 61.35 C ATOM 688 O ILE A 46 7.228 27.173 -22.362 1.00 42.30 O ATOM 689 CB ILE A 46 4.188 26.406 -22.530 1.00 64.05 C ATOM 690 CG1 ILE A 46 2.773 26.432 -21.950 1.00 52.42 C ATOM 691 CG2 ILE A 46 4.990 25.258 -21.934 1.00 52.42 C ATOM 692 CD1 ILE A 46 2.740 26.545 -20.442 1.00 50.11 C ATOM 0 H ILE A 46 3.346 28.610 -23.384 1.00 43.44 H new ATOM 0 HA ILE A 46 5.011 27.888 -21.196 1.00 24.34 H new ATOM 0 HB ILE A 46 4.116 26.252 -23.607 1.00 64.05 H new ATOM 0 HG12 ILE A 46 2.228 27.272 -22.381 1.00 52.42 H new ATOM 0 HG13 ILE A 46 2.249 25.524 -22.250 1.00 52.42 H new ATOM 0 HG21 ILE A 46 4.475 24.317 -22.125 1.00 52.42 H new ATOM 0 HG22 ILE A 46 5.979 25.230 -22.391 1.00 52.42 H new ATOM 0 HG23 ILE A 46 5.091 25.404 -20.859 1.00 52.42 H new ATOM 0 HD11 ILE A 46 1.705 26.558 -20.101 1.00 50.11 H new ATOM 0 HD12 ILE A 46 3.257 25.692 -20.002 1.00 50.11 H new ATOM 0 HD13 ILE A 46 3.235 27.467 -20.135 1.00 50.11 H new ATOM 704 N TYR A 47 6.375 28.302 -24.111 1.00 63.34 N ATOM 705 CA TYR A 47 7.637 28.340 -24.842 1.00 12.23 C ATOM 706 C TYR A 47 8.762 28.872 -23.959 1.00 34.45 C ATOM 707 O TYR A 47 9.808 28.239 -23.821 1.00 31.05 O ATOM 708 CB TYR A 47 7.500 29.211 -26.092 1.00 21.12 C ATOM 709 CG TYR A 47 8.762 29.280 -26.922 1.00 53.24 C ATOM 710 CD1 TYR A 47 9.789 30.154 -26.590 1.00 10.51 C ATOM 711 CD2 TYR A 47 8.927 28.470 -28.039 1.00 54.23 C ATOM 712 CE1 TYR A 47 10.943 30.221 -27.346 1.00 52.54 C ATOM 713 CE2 TYR A 47 10.078 28.529 -28.801 1.00 13.41 C ATOM 714 CZ TYR A 47 11.083 29.407 -28.451 1.00 34.13 C ATOM 715 OH TYR A 47 12.231 29.470 -29.206 1.00 61.41 O ATOM 0 H TYR A 47 5.597 28.757 -24.589 1.00 63.34 H new ATOM 0 HA TYR A 47 7.885 27.322 -25.142 1.00 12.23 H new ATOM 0 HB2 TYR A 47 6.690 28.822 -26.709 1.00 21.12 H new ATOM 0 HB3 TYR A 47 7.216 30.220 -25.793 1.00 21.12 H new ATOM 0 HD1 TYR A 47 9.683 30.793 -25.725 1.00 10.51 H new ATOM 0 HD2 TYR A 47 8.142 27.782 -28.316 1.00 54.23 H new ATOM 0 HE1 TYR A 47 11.731 30.907 -27.074 1.00 52.54 H new ATOM 0 HE2 TYR A 47 10.190 27.892 -29.666 1.00 13.41 H new ATOM 0 HH TYR A 47 12.171 28.832 -29.947 1.00 61.41 H new ATOM 725 N GLU A 48 8.536 30.038 -23.362 1.00 42.35 N ATOM 726 CA GLU A 48 9.530 30.656 -22.493 1.00 25.44 C ATOM 727 C GLU A 48 9.647 29.896 -21.174 1.00 74.22 C ATOM 728 O GLU A 48 10.712 29.859 -20.557 1.00 42.04 O ATOM 729 CB GLU A 48 9.167 32.117 -22.221 1.00 75.23 C ATOM 730 CG GLU A 48 9.312 33.016 -23.438 1.00 15.05 C ATOM 731 CD GLU A 48 8.975 34.464 -23.136 1.00 63.41 C ATOM 732 OE1 GLU A 48 7.776 34.772 -22.972 1.00 22.42 O ATOM 733 OE2 GLU A 48 9.910 35.288 -23.065 1.00 4.01 O ATOM 0 H GLU A 48 7.674 30.573 -23.464 1.00 42.35 H new ATOM 0 HA GLU A 48 10.493 30.618 -23.002 1.00 25.44 H new ATOM 0 HB2 GLU A 48 8.139 32.167 -21.863 1.00 75.23 H new ATOM 0 HB3 GLU A 48 9.802 32.498 -21.421 1.00 75.23 H new ATOM 0 HG2 GLU A 48 10.334 32.955 -23.811 1.00 15.05 H new ATOM 0 HG3 GLU A 48 8.661 32.653 -24.233 1.00 15.05 H new ATOM 740 N LEU A 49 8.543 29.291 -20.748 1.00 4.12 N ATOM 741 CA LEU A 49 8.520 28.532 -19.502 1.00 73.02 C ATOM 742 C LEU A 49 9.570 27.426 -19.519 1.00 2.15 C ATOM 743 O LEU A 49 10.477 27.404 -18.685 1.00 41.13 O ATOM 744 CB LEU A 49 7.132 27.930 -19.275 1.00 60.44 C ATOM 745 CG LEU A 49 6.704 27.760 -17.817 1.00 41.13 C ATOM 746 CD1 LEU A 49 7.641 26.805 -17.094 1.00 13.13 C ATOM 747 CD2 LEU A 49 6.665 29.108 -17.113 1.00 3.33 C ATOM 0 H LEU A 49 7.653 29.311 -21.246 1.00 4.12 H new ATOM 0 HA LEU A 49 8.752 29.215 -18.684 1.00 73.02 H new ATOM 0 HB2 LEU A 49 6.398 28.560 -19.777 1.00 60.44 H new ATOM 0 HB3 LEU A 49 7.098 26.954 -19.759 1.00 60.44 H new ATOM 0 HG LEU A 49 5.701 27.334 -17.799 1.00 41.13 H new ATOM 0 HD11 LEU A 49 7.321 26.696 -16.058 1.00 13.13 H new ATOM 0 HD12 LEU A 49 7.619 25.832 -17.585 1.00 13.13 H new ATOM 0 HD13 LEU A 49 8.656 27.201 -17.121 1.00 13.13 H new ATOM 0 HD21 LEU A 49 6.358 28.968 -16.076 1.00 3.33 H new ATOM 0 HD22 LEU A 49 7.656 29.562 -17.140 1.00 3.33 H new ATOM 0 HD23 LEU A 49 5.953 29.761 -17.617 1.00 3.33 H new ATOM 759 N LEU A 50 9.443 26.511 -20.473 1.00 22.21 N ATOM 760 CA LEU A 50 10.383 25.402 -20.600 1.00 1.42 C ATOM 761 C LEU A 50 11.742 25.894 -21.087 1.00 4.15 C ATOM 762 O LEU A 50 12.784 25.415 -20.638 1.00 2.21 O ATOM 763 CB LEU A 50 9.834 24.350 -21.564 1.00 75.23 C ATOM 764 CG LEU A 50 9.289 24.876 -22.893 1.00 24.11 C ATOM 765 CD1 LEU A 50 10.180 24.437 -24.045 1.00 54.34 C ATOM 766 CD2 LEU A 50 7.860 24.400 -23.110 1.00 2.43 C ATOM 0 H LEU A 50 8.699 26.515 -21.170 1.00 22.21 H new ATOM 0 HA LEU A 50 10.511 24.952 -19.616 1.00 1.42 H new ATOM 0 HB2 LEU A 50 10.627 23.633 -21.778 1.00 75.23 H new ATOM 0 HB3 LEU A 50 9.038 23.803 -21.059 1.00 75.23 H new ATOM 0 HG LEU A 50 9.286 25.965 -22.857 1.00 24.11 H new ATOM 0 HD11 LEU A 50 9.777 24.820 -24.983 1.00 54.34 H new ATOM 0 HD12 LEU A 50 11.187 24.828 -23.896 1.00 54.34 H new ATOM 0 HD13 LEU A 50 10.215 23.348 -24.083 1.00 54.34 H new ATOM 0 HD21 LEU A 50 7.489 24.784 -24.060 1.00 2.43 H new ATOM 0 HD22 LEU A 50 7.838 23.310 -23.125 1.00 2.43 H new ATOM 0 HD23 LEU A 50 7.228 24.764 -22.300 1.00 2.43 H new ATOM 778 N TYR A 51 11.724 26.854 -22.005 1.00 24.22 N ATOM 779 CA TYR A 51 12.955 27.411 -22.553 1.00 25.34 C ATOM 780 C TYR A 51 13.903 27.841 -21.437 1.00 34.04 C ATOM 781 O TYR A 51 15.095 27.535 -21.466 1.00 24.23 O ATOM 782 CB TYR A 51 12.642 28.603 -23.458 1.00 70.45 C ATOM 783 CG TYR A 51 13.850 29.454 -23.778 1.00 54.41 C ATOM 784 CD1 TYR A 51 15.063 28.872 -24.123 1.00 23.14 C ATOM 785 CD2 TYR A 51 13.778 30.841 -23.735 1.00 14.22 C ATOM 786 CE1 TYR A 51 16.170 29.646 -24.415 1.00 33.02 C ATOM 787 CE2 TYR A 51 14.878 31.623 -24.027 1.00 3.11 C ATOM 788 CZ TYR A 51 16.072 31.021 -24.366 1.00 60.01 C ATOM 789 OH TYR A 51 17.171 31.796 -24.656 1.00 41.43 O ATOM 0 H TYR A 51 10.870 27.263 -22.385 1.00 24.22 H new ATOM 0 HA TYR A 51 13.444 26.635 -23.142 1.00 25.34 H new ATOM 0 HB2 TYR A 51 12.209 28.238 -24.389 1.00 70.45 H new ATOM 0 HB3 TYR A 51 11.887 29.225 -22.977 1.00 70.45 H new ATOM 0 HD1 TYR A 51 15.142 27.796 -24.164 1.00 23.14 H new ATOM 0 HD2 TYR A 51 12.845 31.316 -23.469 1.00 14.22 H new ATOM 0 HE1 TYR A 51 17.106 29.177 -24.680 1.00 33.02 H new ATOM 0 HE2 TYR A 51 14.804 32.700 -23.990 1.00 3.11 H new ATOM 0 HH TYR A 51 16.933 32.743 -24.577 1.00 41.43 H new ATOM 799 N LEU A 52 13.363 28.552 -20.453 1.00 52.42 N ATOM 800 CA LEU A 52 14.158 29.026 -19.325 1.00 60.54 C ATOM 801 C LEU A 52 14.404 27.902 -18.323 1.00 55.30 C ATOM 802 O LEU A 52 15.420 27.888 -17.627 1.00 33.10 O ATOM 803 CB LEU A 52 13.455 30.196 -18.635 1.00 71.34 C ATOM 804 CG LEU A 52 13.796 31.590 -19.163 1.00 64.42 C ATOM 805 CD1 LEU A 52 13.334 31.743 -20.604 1.00 31.12 C ATOM 806 CD2 LEU A 52 13.170 32.661 -18.283 1.00 41.41 C ATOM 0 H LEU A 52 12.378 28.813 -20.413 1.00 52.42 H new ATOM 0 HA LEU A 52 15.121 29.365 -19.707 1.00 60.54 H new ATOM 0 HB2 LEU A 52 12.378 30.050 -18.723 1.00 71.34 H new ATOM 0 HB3 LEU A 52 13.696 30.163 -17.572 1.00 71.34 H new ATOM 0 HG LEU A 52 14.879 31.713 -19.136 1.00 64.42 H new ATOM 0 HD11 LEU A 52 13.585 32.741 -20.963 1.00 31.12 H new ATOM 0 HD12 LEU A 52 13.830 30.998 -21.226 1.00 31.12 H new ATOM 0 HD13 LEU A 52 12.255 31.599 -20.657 1.00 31.12 H new ATOM 0 HD21 LEU A 52 13.423 33.647 -18.674 1.00 41.41 H new ATOM 0 HD22 LEU A 52 12.087 32.540 -18.278 1.00 41.41 H new ATOM 0 HD23 LEU A 52 13.551 32.565 -17.266 1.00 41.41 H new ATOM 818 N LEU A 53 13.468 26.962 -18.256 1.00 20.41 N ATOM 819 CA LEU A 53 13.583 25.832 -17.340 1.00 64.21 C ATOM 820 C LEU A 53 14.778 24.956 -17.704 1.00 32.31 C ATOM 821 O LEU A 53 15.560 24.566 -16.838 1.00 32.05 O ATOM 822 CB LEU A 53 12.300 24.999 -17.362 1.00 3.31 C ATOM 823 CG LEU A 53 11.929 24.304 -16.052 1.00 20.14 C ATOM 824 CD1 LEU A 53 11.775 25.322 -14.932 1.00 70.32 C ATOM 825 CD2 LEU A 53 10.650 23.496 -16.220 1.00 45.12 C ATOM 0 H LEU A 53 12.621 26.960 -18.825 1.00 20.41 H new ATOM 0 HA LEU A 53 13.736 26.225 -16.335 1.00 64.21 H new ATOM 0 HB2 LEU A 53 11.474 25.648 -17.652 1.00 3.31 H new ATOM 0 HB3 LEU A 53 12.397 24.240 -18.138 1.00 3.31 H new ATOM 0 HG LEU A 53 12.735 23.620 -15.785 1.00 20.14 H new ATOM 0 HD11 LEU A 53 11.511 24.809 -14.007 1.00 70.32 H new ATOM 0 HD12 LEU A 53 12.715 25.857 -14.794 1.00 70.32 H new ATOM 0 HD13 LEU A 53 10.989 26.031 -15.191 1.00 70.32 H new ATOM 0 HD21 LEU A 53 10.401 23.008 -15.277 1.00 45.12 H new ATOM 0 HD22 LEU A 53 9.836 24.160 -16.511 1.00 45.12 H new ATOM 0 HD23 LEU A 53 10.796 22.741 -16.992 1.00 45.12 H new ATOM 837 N GLU A 54 14.912 24.652 -18.991 1.00 44.11 N ATOM 838 CA GLU A 54 16.013 23.823 -19.469 1.00 11.22 C ATOM 839 C GLU A 54 17.353 24.517 -19.246 1.00 4.43 C ATOM 840 O GLU A 54 18.373 23.864 -19.026 1.00 14.14 O ATOM 841 CB GLU A 54 15.833 23.504 -20.954 1.00 75.33 C ATOM 842 CG GLU A 54 16.441 24.545 -21.879 1.00 33.30 C ATOM 843 CD GLU A 54 15.918 24.440 -23.299 1.00 3.33 C ATOM 844 OE1 GLU A 54 14.743 24.795 -23.527 1.00 31.34 O ATOM 845 OE2 GLU A 54 16.686 24.004 -24.182 1.00 70.00 O ATOM 0 H GLU A 54 14.273 24.967 -19.721 1.00 44.11 H new ATOM 0 HA GLU A 54 16.006 22.893 -18.901 1.00 11.22 H new ATOM 0 HB2 GLU A 54 16.284 22.535 -21.166 1.00 75.33 H new ATOM 0 HB3 GLU A 54 14.769 23.415 -21.171 1.00 75.33 H new ATOM 0 HG2 GLU A 54 16.228 25.541 -21.490 1.00 33.30 H new ATOM 0 HG3 GLU A 54 17.525 24.431 -21.886 1.00 33.30 H new ATOM 852 N GLU A 55 17.343 25.845 -19.305 1.00 53.42 N ATOM 853 CA GLU A 55 18.558 26.628 -19.111 1.00 72.12 C ATOM 854 C GLU A 55 19.096 26.455 -17.694 1.00 31.32 C ATOM 855 O GLU A 55 20.299 26.559 -17.458 1.00 63.45 O ATOM 856 CB GLU A 55 18.287 28.108 -19.388 1.00 44.25 C ATOM 857 CG GLU A 55 19.532 28.978 -19.319 1.00 34.40 C ATOM 858 CD GLU A 55 20.217 29.124 -20.664 1.00 14.42 C ATOM 859 OE1 GLU A 55 19.650 29.801 -21.547 1.00 15.30 O ATOM 860 OE2 GLU A 55 21.319 28.563 -20.833 1.00 72.43 O ATOM 0 H GLU A 55 16.507 26.401 -19.486 1.00 53.42 H new ATOM 0 HA GLU A 55 19.309 26.266 -19.813 1.00 72.12 H new ATOM 0 HB2 GLU A 55 17.838 28.208 -20.376 1.00 44.25 H new ATOM 0 HB3 GLU A 55 17.556 28.476 -18.668 1.00 44.25 H new ATOM 0 HG2 GLU A 55 19.261 29.965 -18.945 1.00 34.40 H new ATOM 0 HG3 GLU A 55 20.233 28.547 -18.604 1.00 34.40 H new ATOM 867 N ALA A 56 18.195 26.191 -16.753 1.00 71.53 N ATOM 868 CA ALA A 56 18.578 26.001 -15.360 1.00 1.42 C ATOM 869 C ALA A 56 19.224 24.636 -15.148 1.00 54.13 C ATOM 870 O ALA A 56 19.936 24.420 -14.167 1.00 54.13 O ATOM 871 CB ALA A 56 17.367 26.161 -14.453 1.00 32.11 C ATOM 0 H ALA A 56 17.194 26.104 -16.931 1.00 71.53 H new ATOM 0 HA ALA A 56 19.313 26.764 -15.104 1.00 1.42 H new ATOM 0 HB1 ALA A 56 17.668 26.016 -13.415 1.00 32.11 H new ATOM 0 HB2 ALA A 56 16.951 27.161 -14.574 1.00 32.11 H new ATOM 0 HB3 ALA A 56 16.613 25.420 -14.719 1.00 32.11 H new ATOM 877 N PHE A 57 18.970 23.717 -16.074 1.00 13.10 N ATOM 878 CA PHE A 57 19.525 22.371 -15.988 1.00 10.43 C ATOM 879 C PHE A 57 20.632 22.173 -17.019 1.00 72.41 C ATOM 880 O PHE A 57 21.330 21.159 -17.008 1.00 64.02 O ATOM 881 CB PHE A 57 18.425 21.329 -16.196 1.00 71.41 C ATOM 882 CG PHE A 57 17.125 21.689 -15.536 1.00 73.30 C ATOM 883 CD1 PHE A 57 17.090 22.064 -14.203 1.00 21.13 C ATOM 884 CD2 PHE A 57 15.937 21.653 -16.249 1.00 22.51 C ATOM 885 CE1 PHE A 57 15.895 22.395 -13.593 1.00 31.02 C ATOM 886 CE2 PHE A 57 14.739 21.983 -15.644 1.00 72.04 C ATOM 887 CZ PHE A 57 14.718 22.356 -14.315 1.00 20.32 C ATOM 0 H PHE A 57 18.383 23.880 -16.892 1.00 13.10 H new ATOM 0 HA PHE A 57 19.952 22.243 -14.993 1.00 10.43 H new ATOM 0 HB2 PHE A 57 18.257 21.199 -17.265 1.00 71.41 H new ATOM 0 HB3 PHE A 57 18.767 20.369 -15.808 1.00 71.41 H new ATOM 0 HD1 PHE A 57 18.007 22.098 -13.634 1.00 21.13 H new ATOM 0 HD2 PHE A 57 15.948 21.364 -17.289 1.00 22.51 H new ATOM 0 HE1 PHE A 57 15.881 22.684 -12.552 1.00 31.02 H new ATOM 0 HE2 PHE A 57 13.820 21.949 -16.210 1.00 72.04 H new ATOM 0 HZ PHE A 57 13.783 22.617 -13.841 1.00 20.32 H new ATOM 897 N ASP A 58 20.785 23.147 -17.909 1.00 74.10 N ATOM 898 CA ASP A 58 21.806 23.081 -18.948 1.00 22.54 C ATOM 899 C ASP A 58 21.554 21.902 -19.883 1.00 41.54 C ATOM 900 O ASP A 58 22.298 20.921 -19.877 1.00 11.42 O ATOM 901 CB ASP A 58 23.196 22.961 -18.319 1.00 75.52 C ATOM 902 CG ASP A 58 23.366 23.865 -17.115 1.00 22.04 C ATOM 903 OD1 ASP A 58 23.551 25.084 -17.310 1.00 52.31 O ATOM 904 OD2 ASP A 58 23.316 23.353 -15.976 1.00 41.32 O ATOM 0 H ASP A 58 20.215 23.992 -17.932 1.00 74.10 H new ATOM 0 HA ASP A 58 21.757 24.001 -19.531 1.00 22.54 H new ATOM 0 HB2 ASP A 58 23.369 21.927 -18.021 1.00 75.52 H new ATOM 0 HB3 ASP A 58 23.952 23.208 -19.065 1.00 75.52 H new ATOM 909 N ASP A 59 20.501 22.006 -20.686 1.00 15.12 N ATOM 910 CA ASP A 59 20.150 20.949 -21.628 1.00 11.34 C ATOM 911 C ASP A 59 19.151 21.455 -22.664 1.00 32.51 C ATOM 912 O ASP A 59 18.220 22.191 -22.337 1.00 41.45 O ATOM 913 CB ASP A 59 19.568 19.746 -20.884 1.00 14.53 C ATOM 914 CG ASP A 59 18.628 20.156 -19.767 1.00 33.11 C ATOM 915 OD1 ASP A 59 17.913 21.167 -19.933 1.00 72.42 O ATOM 916 OD2 ASP A 59 18.606 19.465 -18.727 1.00 3.31 O ATOM 0 H ASP A 59 19.875 22.811 -20.704 1.00 15.12 H new ATOM 0 HA ASP A 59 21.058 20.641 -22.146 1.00 11.34 H new ATOM 0 HB2 ASP A 59 19.034 19.110 -21.590 1.00 14.53 H new ATOM 0 HB3 ASP A 59 20.381 19.150 -20.470 1.00 14.53 H new ATOM 921 N LYS A 60 19.351 21.054 -23.915 1.00 54.20 N ATOM 922 CA LYS A 60 18.468 21.465 -25.001 1.00 2.35 C ATOM 923 C LYS A 60 17.133 20.731 -24.924 1.00 42.40 C ATOM 924 O LYS A 60 17.094 19.511 -24.763 1.00 14.20 O ATOM 925 CB LYS A 60 19.132 21.199 -26.354 1.00 32.05 C ATOM 926 CG LYS A 60 20.244 22.177 -26.688 1.00 44.33 C ATOM 927 CD LYS A 60 21.581 21.712 -26.136 1.00 22.03 C ATOM 928 CE LYS A 60 22.744 22.294 -26.925 1.00 53.20 C ATOM 929 NZ LYS A 60 23.016 21.517 -28.166 1.00 0.21 N ATOM 0 H LYS A 60 20.117 20.445 -24.202 1.00 54.20 H new ATOM 0 HA LYS A 60 18.281 22.534 -24.899 1.00 2.35 H new ATOM 0 HB2 LYS A 60 19.536 20.187 -26.358 1.00 32.05 H new ATOM 0 HB3 LYS A 60 18.374 21.243 -27.136 1.00 32.05 H new ATOM 0 HG2 LYS A 60 20.316 22.292 -27.770 1.00 44.33 H new ATOM 0 HG3 LYS A 60 20.002 23.158 -26.279 1.00 44.33 H new ATOM 0 HD2 LYS A 60 21.666 22.007 -25.090 1.00 22.03 H new ATOM 0 HD3 LYS A 60 21.629 20.623 -26.165 1.00 22.03 H new ATOM 0 HE2 LYS A 60 22.524 23.329 -27.186 1.00 53.20 H new ATOM 0 HE3 LYS A 60 23.637 22.305 -26.300 1.00 53.20 H new ATOM 0 HZ1 LYS A 60 23.815 21.945 -28.676 1.00 0.21 H new ATOM 0 HZ2 LYS A 60 23.251 20.535 -27.916 1.00 0.21 H new ATOM 0 HZ3 LYS A 60 22.172 21.527 -28.774 1.00 0.21 H new ATOM 943 N ILE A 61 16.043 21.482 -25.042 1.00 21.12 N ATOM 944 CA ILE A 61 14.707 20.901 -24.988 1.00 41.34 C ATOM 945 C ILE A 61 14.384 20.146 -26.273 1.00 42.33 C ATOM 946 O ILE A 61 14.096 18.949 -26.264 1.00 12.44 O ATOM 947 CB ILE A 61 13.633 21.981 -24.757 1.00 21.42 C ATOM 948 CG1 ILE A 61 13.448 22.234 -23.259 1.00 61.32 C ATOM 949 CG2 ILE A 61 12.317 21.564 -25.396 1.00 32.44 C ATOM 950 CD1 ILE A 61 12.774 21.091 -22.532 1.00 3.20 C ATOM 0 H ILE A 61 16.059 22.493 -25.175 1.00 21.12 H new ATOM 0 HA ILE A 61 14.698 20.206 -24.149 1.00 41.34 H new ATOM 0 HB ILE A 61 13.964 22.908 -25.225 1.00 21.42 H new ATOM 0 HG12 ILE A 61 14.423 22.417 -22.807 1.00 61.32 H new ATOM 0 HG13 ILE A 61 12.857 23.140 -23.122 1.00 61.32 H new ATOM 0 HG21 ILE A 61 11.568 22.337 -25.224 1.00 32.44 H new ATOM 0 HG22 ILE A 61 12.460 21.429 -26.468 1.00 32.44 H new ATOM 0 HG23 ILE A 61 11.979 20.627 -24.954 1.00 32.44 H new ATOM 0 HD11 ILE A 61 12.676 21.339 -21.475 1.00 3.20 H new ATOM 0 HD12 ILE A 61 11.785 20.921 -22.958 1.00 3.20 H new ATOM 0 HD13 ILE A 61 13.375 20.188 -22.638 1.00 3.20 H new ATOM 962 N PRO A 62 14.435 20.860 -27.408 1.00 12.12 N ATOM 963 CA PRO A 62 14.153 20.277 -28.723 1.00 40.40 C ATOM 964 C PRO A 62 15.239 19.305 -29.171 1.00 11.10 C ATOM 965 O PRO A 62 15.117 18.662 -30.213 1.00 34.44 O ATOM 966 CB PRO A 62 14.111 21.496 -29.649 1.00 72.50 C ATOM 967 CG PRO A 62 14.955 22.518 -28.969 1.00 73.31 C ATOM 968 CD PRO A 62 14.772 22.291 -27.494 1.00 14.12 C ATOM 0 HA PRO A 62 13.232 19.693 -28.722 1.00 40.40 H new ATOM 0 HB2 PRO A 62 14.501 21.255 -30.638 1.00 72.50 H new ATOM 0 HB3 PRO A 62 13.091 21.853 -29.787 1.00 72.50 H new ATOM 0 HG2 PRO A 62 16.002 22.411 -29.253 1.00 73.31 H new ATOM 0 HG3 PRO A 62 14.649 23.526 -29.250 1.00 73.31 H new ATOM 0 HD2 PRO A 62 15.679 22.524 -26.936 1.00 14.12 H new ATOM 0 HD3 PRO A 62 13.977 22.916 -27.087 1.00 14.12 H new ATOM 976 N GLU A 63 16.300 19.204 -28.377 1.00 23.40 N ATOM 977 CA GLU A 63 17.408 18.309 -28.694 1.00 14.24 C ATOM 978 C GLU A 63 17.472 17.151 -27.702 1.00 61.02 C ATOM 979 O GLU A 63 17.267 15.995 -28.068 1.00 63.44 O ATOM 980 CB GLU A 63 18.731 19.077 -28.685 1.00 1.04 C ATOM 981 CG GLU A 63 19.651 18.717 -29.839 1.00 4.31 C ATOM 982 CD GLU A 63 20.309 17.363 -29.660 1.00 62.23 C ATOM 983 OE1 GLU A 63 19.700 16.349 -30.061 1.00 40.23 O ATOM 984 OE2 GLU A 63 21.434 17.317 -29.119 1.00 60.05 O ATOM 0 H GLU A 63 16.416 19.730 -27.511 1.00 23.40 H new ATOM 0 HA GLU A 63 17.240 17.902 -29.691 1.00 14.24 H new ATOM 0 HB2 GLU A 63 18.521 20.146 -28.719 1.00 1.04 H new ATOM 0 HB3 GLU A 63 19.248 18.883 -27.745 1.00 1.04 H new ATOM 0 HG2 GLU A 63 19.081 18.720 -30.768 1.00 4.31 H new ATOM 0 HG3 GLU A 63 20.422 19.481 -29.936 1.00 4.31 H new ATOM 991 N ASN A 64 17.759 17.472 -26.445 1.00 21.44 N ATOM 992 CA ASN A 64 17.852 16.458 -25.400 1.00 0.42 C ATOM 993 C ASN A 64 16.475 15.890 -25.069 1.00 3.43 C ATOM 994 O ASN A 64 16.226 14.699 -25.247 1.00 71.21 O ATOM 995 CB ASN A 64 18.488 17.051 -24.141 1.00 12.23 C ATOM 996 CG ASN A 64 19.138 15.994 -23.269 1.00 15.45 C ATOM 997 OD1 ASN A 64 20.102 15.346 -23.674 1.00 44.22 O ATOM 998 ND2 ASN A 64 18.610 15.816 -22.063 1.00 74.21 N ATOM 0 H ASN A 64 17.931 18.425 -26.125 1.00 21.44 H new ATOM 0 HA ASN A 64 18.480 15.647 -25.769 1.00 0.42 H new ATOM 0 HB2 ASN A 64 19.235 17.791 -24.429 1.00 12.23 H new ATOM 0 HB3 ASN A 64 17.726 17.575 -23.565 1.00 12.23 H new ATOM 0 HD21 ASN A 64 19.005 15.119 -21.431 1.00 74.21 H new ATOM 0 HD22 ASN A 64 17.810 16.376 -21.769 1.00 74.21 H new ATOM 1005 N GLU A 65 15.586 16.753 -24.586 1.00 72.43 N ATOM 1006 CA GLU A 65 14.234 16.336 -24.230 1.00 44.13 C ATOM 1007 C GLU A 65 13.522 15.719 -25.430 1.00 74.21 C ATOM 1008 O GLU A 65 12.723 14.794 -25.283 1.00 23.13 O ATOM 1009 CB GLU A 65 13.432 17.528 -23.704 1.00 33.52 C ATOM 1010 CG GLU A 65 13.426 17.635 -22.188 1.00 54.42 C ATOM 1011 CD GLU A 65 14.630 18.384 -21.652 1.00 23.12 C ATOM 1012 OE1 GLU A 65 15.768 17.999 -21.995 1.00 10.31 O ATOM 1013 OE2 GLU A 65 14.436 19.353 -20.889 1.00 51.43 O ATOM 0 H GLU A 65 15.777 17.743 -24.432 1.00 72.43 H new ATOM 0 HA GLU A 65 14.307 15.582 -23.446 1.00 44.13 H new ATOM 0 HB2 GLU A 65 13.844 18.446 -24.123 1.00 33.52 H new ATOM 0 HB3 GLU A 65 12.404 17.449 -24.059 1.00 33.52 H new ATOM 0 HG2 GLU A 65 12.515 18.141 -21.867 1.00 54.42 H new ATOM 0 HG3 GLU A 65 13.404 16.634 -21.757 1.00 54.42 H new ATOM 1020 N ALA A 66 13.816 16.238 -26.617 1.00 50.34 N ATOM 1021 CA ALA A 66 13.205 15.738 -27.843 1.00 2.23 C ATOM 1022 C ALA A 66 13.371 14.227 -27.962 1.00 5.01 C ATOM 1023 O ALA A 66 12.585 13.557 -28.630 1.00 13.53 O ATOM 1024 CB ALA A 66 13.807 16.434 -29.055 1.00 14.55 C ATOM 0 H ALA A 66 14.474 17.005 -26.756 1.00 50.34 H new ATOM 0 HA ALA A 66 12.138 15.958 -27.804 1.00 2.23 H new ATOM 0 HB1 ALA A 66 13.342 16.051 -29.963 1.00 14.55 H new ATOM 0 HB2 ALA A 66 13.632 17.507 -28.982 1.00 14.55 H new ATOM 0 HB3 ALA A 66 14.880 16.243 -29.089 1.00 14.55 H new ATOM 1030 N ASN A 67 14.401 13.696 -27.310 1.00 43.53 N ATOM 1031 CA ASN A 67 14.671 12.264 -27.345 1.00 23.33 C ATOM 1032 C ASN A 67 13.450 11.469 -26.894 1.00 35.11 C ATOM 1033 O ASN A 67 13.247 10.331 -27.316 1.00 41.14 O ATOM 1034 CB ASN A 67 15.869 11.928 -26.454 1.00 62.22 C ATOM 1035 CG ASN A 67 15.452 11.515 -25.056 1.00 23.22 C ATOM 1036 OD1 ASN A 67 15.523 10.339 -24.697 1.00 13.31 O ATOM 1037 ND2 ASN A 67 15.015 12.483 -24.259 1.00 32.21 N ATOM 0 H ASN A 67 15.062 14.236 -26.751 1.00 43.53 H new ATOM 0 HA ASN A 67 14.903 11.988 -28.374 1.00 23.33 H new ATOM 0 HB2 ASN A 67 16.444 11.123 -26.911 1.00 62.22 H new ATOM 0 HB3 ASN A 67 16.527 12.795 -26.393 1.00 62.22 H new ATOM 0 HD21 ASN A 67 14.721 12.266 -23.307 1.00 32.21 H new ATOM 0 HD22 ASN A 67 14.973 13.444 -24.599 1.00 32.21 H new ATOM 1044 N GLU A 68 12.639 12.077 -26.034 1.00 13.51 N ATOM 1045 CA GLU A 68 11.437 11.426 -25.526 1.00 21.10 C ATOM 1046 C GLU A 68 10.388 12.458 -25.123 1.00 32.14 C ATOM 1047 O GLU A 68 9.721 12.314 -24.098 1.00 30.23 O ATOM 1048 CB GLU A 68 11.780 10.536 -24.329 1.00 53.22 C ATOM 1049 CG GLU A 68 12.078 9.095 -24.708 1.00 4.33 C ATOM 1050 CD GLU A 68 10.879 8.390 -25.310 1.00 61.32 C ATOM 1051 OE1 GLU A 68 9.955 8.037 -24.548 1.00 74.21 O ATOM 1052 OE2 GLU A 68 10.865 8.190 -26.543 1.00 13.32 O ATOM 0 H GLU A 68 12.792 13.019 -25.675 1.00 13.51 H new ATOM 0 HA GLU A 68 11.025 10.808 -26.323 1.00 21.10 H new ATOM 0 HB2 GLU A 68 12.644 10.953 -23.813 1.00 53.22 H new ATOM 0 HB3 GLU A 68 10.949 10.553 -23.624 1.00 53.22 H new ATOM 0 HG2 GLU A 68 12.903 9.074 -25.421 1.00 4.33 H new ATOM 0 HG3 GLU A 68 12.408 8.551 -23.823 1.00 4.33 H new ATOM 1059 N PHE A 69 10.248 13.499 -25.936 1.00 13.51 N ATOM 1060 CA PHE A 69 9.281 14.557 -25.664 1.00 42.11 C ATOM 1061 C PHE A 69 8.032 14.387 -26.524 1.00 63.21 C ATOM 1062 O PHE A 69 8.097 13.852 -27.631 1.00 11.44 O ATOM 1063 CB PHE A 69 9.908 15.929 -25.922 1.00 24.24 C ATOM 1064 CG PHE A 69 9.849 16.847 -24.735 1.00 1.42 C ATOM 1065 CD1 PHE A 69 10.070 16.363 -23.456 1.00 3.44 C ATOM 1066 CD2 PHE A 69 9.572 18.195 -24.899 1.00 14.15 C ATOM 1067 CE1 PHE A 69 10.017 17.206 -22.361 1.00 52.13 C ATOM 1068 CE2 PHE A 69 9.517 19.043 -23.808 1.00 63.41 C ATOM 1069 CZ PHE A 69 9.739 18.547 -22.538 1.00 11.31 C ATOM 0 H PHE A 69 10.791 13.633 -26.789 1.00 13.51 H new ATOM 0 HA PHE A 69 8.991 14.489 -24.615 1.00 42.11 H new ATOM 0 HB2 PHE A 69 10.949 15.795 -26.216 1.00 24.24 H new ATOM 0 HB3 PHE A 69 9.398 16.401 -26.762 1.00 24.24 H new ATOM 0 HD1 PHE A 69 10.286 15.315 -23.312 1.00 3.44 H new ATOM 0 HD2 PHE A 69 9.397 18.588 -25.890 1.00 14.15 H new ATOM 0 HE1 PHE A 69 10.193 16.816 -21.369 1.00 52.13 H new ATOM 0 HE2 PHE A 69 9.301 20.092 -23.949 1.00 63.41 H new ATOM 0 HZ PHE A 69 9.695 19.207 -21.684 1.00 11.31 H new ATOM 1079 N GLU A 70 6.897 14.845 -26.006 1.00 21.12 N ATOM 1080 CA GLU A 70 5.633 14.742 -26.726 1.00 22.24 C ATOM 1081 C GLU A 70 4.583 15.665 -26.115 1.00 54.11 C ATOM 1082 O GLU A 70 4.111 16.602 -26.761 1.00 21.30 O ATOM 1083 CB GLU A 70 5.129 13.297 -26.711 1.00 52.31 C ATOM 1084 CG GLU A 70 4.024 13.028 -27.719 1.00 41.21 C ATOM 1085 CD GLU A 70 4.559 12.758 -29.112 1.00 74.11 C ATOM 1086 OE1 GLU A 70 5.295 11.764 -29.283 1.00 41.21 O ATOM 1087 OE2 GLU A 70 4.240 13.541 -30.032 1.00 35.35 O ATOM 0 H GLU A 70 6.827 15.291 -25.091 1.00 21.12 H new ATOM 0 HA GLU A 70 5.805 15.049 -27.758 1.00 22.24 H new ATOM 0 HB2 GLU A 70 5.965 12.627 -26.913 1.00 52.31 H new ATOM 0 HB3 GLU A 70 4.764 13.059 -25.712 1.00 52.31 H new ATOM 0 HG2 GLU A 70 3.435 12.173 -27.388 1.00 41.21 H new ATOM 0 HG3 GLU A 70 3.351 13.885 -27.752 1.00 41.21 H new ATOM 1094 N THR A 71 4.219 15.394 -24.865 1.00 61.24 N ATOM 1095 CA THR A 71 3.224 16.197 -24.167 1.00 53.54 C ATOM 1096 C THR A 71 3.656 16.486 -22.734 1.00 64.05 C ATOM 1097 O THR A 71 4.746 16.096 -22.314 1.00 34.23 O ATOM 1098 CB THR A 71 1.851 15.498 -24.146 1.00 44.22 C ATOM 1099 OG1 THR A 71 1.990 14.163 -23.648 1.00 35.04 O ATOM 1100 CG2 THR A 71 1.240 15.464 -25.539 1.00 11.12 C ATOM 0 H THR A 71 4.599 14.623 -24.316 1.00 61.24 H new ATOM 0 HA THR A 71 3.137 17.136 -24.714 1.00 53.54 H new ATOM 0 HB THR A 71 1.189 16.064 -23.490 1.00 44.22 H new ATOM 0 HG1 THR A 71 1.843 13.525 -24.377 1.00 35.04 H new ATOM 0 HG21 THR A 71 0.271 14.966 -25.499 1.00 11.12 H new ATOM 0 HG22 THR A 71 1.110 16.483 -25.904 1.00 11.12 H new ATOM 0 HG23 THR A 71 1.901 14.919 -26.213 1.00 11.12 H new ATOM 1108 N VAL A 72 2.796 17.171 -21.988 1.00 2.31 N ATOM 1109 CA VAL A 72 3.089 17.511 -20.601 1.00 21.45 C ATOM 1110 C VAL A 72 3.503 16.275 -19.808 1.00 54.43 C ATOM 1111 O VAL A 72 4.428 16.325 -19.000 1.00 23.14 O ATOM 1112 CB VAL A 72 1.875 18.165 -19.914 1.00 61.53 C ATOM 1113 CG1 VAL A 72 2.250 18.663 -18.527 1.00 21.10 C ATOM 1114 CG2 VAL A 72 1.328 19.299 -20.768 1.00 4.04 C ATOM 0 H VAL A 72 1.890 17.502 -22.321 1.00 2.31 H new ATOM 0 HA VAL A 72 3.914 18.223 -20.617 1.00 21.45 H new ATOM 0 HB VAL A 72 1.093 17.414 -19.804 1.00 61.53 H new ATOM 0 HG11 VAL A 72 1.380 19.122 -18.058 1.00 21.10 H new ATOM 0 HG12 VAL A 72 2.591 17.825 -17.919 1.00 21.10 H new ATOM 0 HG13 VAL A 72 3.049 19.400 -18.609 1.00 21.10 H new ATOM 0 HG21 VAL A 72 0.471 19.750 -20.268 1.00 4.04 H new ATOM 0 HG22 VAL A 72 2.102 20.053 -20.911 1.00 4.04 H new ATOM 0 HG23 VAL A 72 1.018 18.908 -21.737 1.00 4.04 H new ATOM 1124 N GLY A 73 2.809 15.166 -20.047 1.00 42.21 N ATOM 1125 CA GLY A 73 3.119 13.933 -19.348 1.00 62.33 C ATOM 1126 C GLY A 73 4.596 13.596 -19.394 1.00 65.00 C ATOM 1127 O GLY A 73 5.149 13.065 -18.431 1.00 2.05 O ATOM 0 H GLY A 73 2.038 15.100 -20.712 1.00 42.21 H new ATOM 0 HA2 GLY A 73 2.801 14.018 -18.309 1.00 62.33 H new ATOM 0 HA3 GLY A 73 2.549 13.116 -19.790 1.00 62.33 H new ATOM 1131 N ASP A 74 5.237 13.903 -20.516 1.00 41.54 N ATOM 1132 CA ASP A 74 6.660 13.630 -20.684 1.00 74.55 C ATOM 1133 C ASP A 74 7.496 14.517 -19.768 1.00 31.12 C ATOM 1134 O ASP A 74 8.410 14.043 -19.092 1.00 55.22 O ATOM 1135 CB ASP A 74 7.074 13.846 -22.141 1.00 32.42 C ATOM 1136 CG ASP A 74 6.445 12.833 -23.078 1.00 12.41 C ATOM 1137 OD1 ASP A 74 5.362 12.308 -22.744 1.00 54.43 O ATOM 1138 OD2 ASP A 74 7.035 12.567 -24.145 1.00 61.24 O ATOM 0 H ASP A 74 4.794 14.341 -21.323 1.00 41.54 H new ATOM 0 HA ASP A 74 6.839 12.589 -20.414 1.00 74.55 H new ATOM 0 HB2 ASP A 74 6.788 14.851 -22.452 1.00 32.42 H new ATOM 0 HB3 ASP A 74 8.159 13.785 -22.220 1.00 32.42 H new ATOM 1143 N VAL A 75 7.178 15.807 -19.750 1.00 53.43 N ATOM 1144 CA VAL A 75 7.899 16.762 -18.917 1.00 24.52 C ATOM 1145 C VAL A 75 7.782 16.400 -17.440 1.00 40.34 C ATOM 1146 O VAL A 75 8.742 16.528 -16.681 1.00 2.25 O ATOM 1147 CB VAL A 75 7.379 18.196 -19.126 1.00 73.11 C ATOM 1148 CG1 VAL A 75 8.303 19.203 -18.459 1.00 23.53 C ATOM 1149 CG2 VAL A 75 7.231 18.497 -20.610 1.00 11.42 C ATOM 0 H VAL A 75 6.425 16.215 -20.303 1.00 53.43 H new ATOM 0 HA VAL A 75 8.946 16.717 -19.218 1.00 24.52 H new ATOM 0 HB VAL A 75 6.396 18.279 -18.661 1.00 73.11 H new ATOM 0 HG11 VAL A 75 7.919 20.210 -18.618 1.00 23.53 H new ATOM 0 HG12 VAL A 75 8.353 18.998 -17.390 1.00 23.53 H new ATOM 0 HG13 VAL A 75 9.301 19.123 -18.891 1.00 23.53 H new ATOM 0 HG21 VAL A 75 6.862 19.515 -20.740 1.00 11.42 H new ATOM 0 HG22 VAL A 75 8.199 18.396 -21.100 1.00 11.42 H new ATOM 0 HG23 VAL A 75 6.525 17.796 -21.055 1.00 11.42 H new ATOM 1159 N VAL A 76 6.598 15.948 -17.040 1.00 21.32 N ATOM 1160 CA VAL A 76 6.355 15.566 -15.654 1.00 33.21 C ATOM 1161 C VAL A 76 7.325 14.479 -15.205 1.00 33.12 C ATOM 1162 O VAL A 76 8.076 14.660 -14.248 1.00 44.41 O ATOM 1163 CB VAL A 76 4.912 15.065 -15.455 1.00 12.01 C ATOM 1164 CG1 VAL A 76 4.638 14.795 -13.983 1.00 64.22 C ATOM 1165 CG2 VAL A 76 3.917 16.071 -16.014 1.00 62.14 C ATOM 0 H VAL A 76 5.792 15.837 -17.656 1.00 21.32 H new ATOM 0 HA VAL A 76 6.509 16.459 -15.048 1.00 33.21 H new ATOM 0 HB VAL A 76 4.793 14.129 -16.000 1.00 12.01 H new ATOM 0 HG11 VAL A 76 3.614 14.442 -13.862 1.00 64.22 H new ATOM 0 HG12 VAL A 76 5.329 14.035 -13.618 1.00 64.22 H new ATOM 0 HG13 VAL A 76 4.774 15.714 -13.413 1.00 64.22 H new ATOM 0 HG21 VAL A 76 2.903 15.701 -15.865 1.00 62.14 H new ATOM 0 HG22 VAL A 76 4.035 17.024 -15.499 1.00 62.14 H new ATOM 0 HG23 VAL A 76 4.100 16.210 -17.080 1.00 62.14 H new ATOM 1175 N ASN A 77 7.302 13.348 -15.903 1.00 44.21 N ATOM 1176 CA ASN A 77 8.180 12.231 -15.576 1.00 65.42 C ATOM 1177 C ASN A 77 9.642 12.602 -15.806 1.00 63.13 C ATOM 1178 O ASN A 77 10.546 11.993 -15.233 1.00 42.24 O ATOM 1179 CB ASN A 77 7.815 11.005 -16.417 1.00 5.41 C ATOM 1180 CG ASN A 77 8.652 10.899 -17.677 1.00 24.40 C ATOM 1181 OD1 ASN A 77 9.816 10.500 -17.631 1.00 22.34 O ATOM 1182 ND2 ASN A 77 8.062 11.256 -18.811 1.00 52.04 N ATOM 0 H ASN A 77 6.685 13.181 -16.698 1.00 44.21 H new ATOM 0 HA ASN A 77 8.046 11.993 -14.521 1.00 65.42 H new ATOM 0 HB2 ASN A 77 7.949 10.104 -15.818 1.00 5.41 H new ATOM 0 HB3 ASN A 77 6.760 11.054 -16.688 1.00 5.41 H new ATOM 0 HD21 ASN A 77 8.575 11.205 -19.691 1.00 52.04 H new ATOM 0 HD22 ASN A 77 7.095 11.581 -18.803 1.00 52.04 H new ATOM 1189 N PHE A 78 9.867 13.605 -16.648 1.00 53.32 N ATOM 1190 CA PHE A 78 11.219 14.058 -16.955 1.00 15.22 C ATOM 1191 C PHE A 78 11.818 14.819 -15.776 1.00 13.04 C ATOM 1192 O PHE A 78 12.845 14.422 -15.225 1.00 2.20 O ATOM 1193 CB PHE A 78 11.211 14.948 -18.200 1.00 21.14 C ATOM 1194 CG PHE A 78 11.706 14.253 -19.436 1.00 13.20 C ATOM 1195 CD1 PHE A 78 11.078 13.109 -19.902 1.00 51.41 C ATOM 1196 CD2 PHE A 78 12.799 14.744 -20.132 1.00 20.43 C ATOM 1197 CE1 PHE A 78 11.530 12.468 -21.040 1.00 23.22 C ATOM 1198 CE2 PHE A 78 13.256 14.107 -21.270 1.00 74.41 C ATOM 1199 CZ PHE A 78 12.621 12.967 -21.724 1.00 23.30 C ATOM 0 H PHE A 78 9.130 14.120 -17.130 1.00 53.32 H new ATOM 0 HA PHE A 78 11.835 13.180 -17.149 1.00 15.22 H new ATOM 0 HB2 PHE A 78 10.196 15.305 -18.375 1.00 21.14 H new ATOM 0 HB3 PHE A 78 11.830 15.826 -18.014 1.00 21.14 H new ATOM 0 HD1 PHE A 78 10.225 12.714 -19.370 1.00 51.41 H new ATOM 0 HD2 PHE A 78 13.299 15.634 -19.781 1.00 20.43 H new ATOM 0 HE1 PHE A 78 11.031 11.578 -21.394 1.00 23.22 H new ATOM 0 HE2 PHE A 78 14.109 14.500 -21.804 1.00 74.41 H new ATOM 0 HZ PHE A 78 12.977 12.467 -22.612 1.00 23.30 H new ATOM 1209 N ILE A 79 11.169 15.914 -15.394 1.00 74.15 N ATOM 1210 CA ILE A 79 11.636 16.730 -14.281 1.00 44.11 C ATOM 1211 C ILE A 79 11.622 15.940 -12.977 1.00 2.44 C ATOM 1212 O ILE A 79 12.325 16.280 -12.024 1.00 51.14 O ATOM 1213 CB ILE A 79 10.776 17.996 -14.111 1.00 4.31 C ATOM 1214 CG1 ILE A 79 10.759 18.806 -15.409 1.00 64.11 C ATOM 1215 CG2 ILE A 79 11.300 18.842 -12.960 1.00 25.22 C ATOM 1216 CD1 ILE A 79 9.934 20.070 -15.322 1.00 14.30 C ATOM 0 H ILE A 79 10.318 16.256 -15.840 1.00 74.15 H new ATOM 0 HA ILE A 79 12.659 17.025 -14.513 1.00 44.11 H new ATOM 0 HB ILE A 79 9.754 17.694 -13.879 1.00 4.31 H new ATOM 0 HG12 ILE A 79 11.782 19.068 -15.678 1.00 64.11 H new ATOM 0 HG13 ILE A 79 10.368 18.181 -16.212 1.00 64.11 H new ATOM 0 HG21 ILE A 79 10.682 19.733 -12.853 1.00 25.22 H new ATOM 0 HG22 ILE A 79 11.265 18.263 -12.037 1.00 25.22 H new ATOM 0 HG23 ILE A 79 12.329 19.137 -13.164 1.00 25.22 H new ATOM 0 HD11 ILE A 79 9.968 20.593 -16.278 1.00 14.30 H new ATOM 0 HD12 ILE A 79 8.901 19.815 -15.084 1.00 14.30 H new ATOM 0 HD13 ILE A 79 10.337 20.715 -14.541 1.00 14.30 H new ATOM 1228 N LYS A 80 10.818 14.883 -12.940 1.00 44.13 N ATOM 1229 CA LYS A 80 10.714 14.041 -11.754 1.00 52.33 C ATOM 1230 C LYS A 80 12.017 13.290 -11.503 1.00 45.25 C ATOM 1231 O LYS A 80 12.581 13.352 -10.411 1.00 22.44 O ATOM 1232 CB LYS A 80 9.561 13.046 -11.910 1.00 4.41 C ATOM 1233 CG LYS A 80 8.236 13.563 -11.379 1.00 14.40 C ATOM 1234 CD LYS A 80 7.061 12.823 -11.996 1.00 30.44 C ATOM 1235 CE LYS A 80 7.116 11.334 -11.687 1.00 3.34 C ATOM 1236 NZ LYS A 80 7.240 11.076 -10.225 1.00 75.53 N ATOM 0 H LYS A 80 10.228 14.589 -13.719 1.00 44.13 H new ATOM 0 HA LYS A 80 10.517 14.686 -10.898 1.00 52.33 H new ATOM 0 HB2 LYS A 80 9.448 12.797 -12.965 1.00 4.41 H new ATOM 0 HB3 LYS A 80 9.816 12.123 -11.390 1.00 4.41 H new ATOM 0 HG2 LYS A 80 8.209 13.451 -10.295 1.00 14.40 H new ATOM 0 HG3 LYS A 80 8.148 14.628 -11.592 1.00 14.40 H new ATOM 0 HD2 LYS A 80 6.128 13.240 -11.618 1.00 30.44 H new ATOM 0 HD3 LYS A 80 7.062 12.972 -13.076 1.00 30.44 H new ATOM 0 HE2 LYS A 80 6.216 10.851 -12.066 1.00 3.34 H new ATOM 0 HE3 LYS A 80 7.962 10.886 -12.208 1.00 3.34 H new ATOM 0 HZ1 LYS A 80 6.632 10.274 -9.961 1.00 75.53 H new ATOM 0 HZ2 LYS A 80 8.229 10.851 -9.995 1.00 75.53 H new ATOM 0 HZ3 LYS A 80 6.946 11.922 -9.697 1.00 75.53 H new ATOM 1250 N LYS A 81 12.493 12.583 -12.523 1.00 32.44 N ATOM 1251 CA LYS A 81 13.732 11.821 -12.414 1.00 53.55 C ATOM 1252 C LYS A 81 14.945 12.730 -12.583 1.00 1.43 C ATOM 1253 O LYS A 81 15.994 12.500 -11.980 1.00 75.41 O ATOM 1254 CB LYS A 81 13.765 10.709 -13.465 1.00 53.44 C ATOM 1255 CG LYS A 81 13.643 11.217 -14.892 1.00 34.22 C ATOM 1256 CD LYS A 81 15.003 11.351 -15.554 1.00 44.32 C ATOM 1257 CE LYS A 81 14.876 11.781 -17.008 1.00 32.13 C ATOM 1258 NZ LYS A 81 14.991 10.625 -17.940 1.00 13.32 N ATOM 0 H LYS A 81 12.039 12.522 -13.435 1.00 32.44 H new ATOM 0 HA LYS A 81 13.769 11.375 -11.420 1.00 53.55 H new ATOM 0 HB2 LYS A 81 14.697 10.153 -13.365 1.00 53.44 H new ATOM 0 HB3 LYS A 81 12.953 10.009 -13.267 1.00 53.44 H new ATOM 0 HG2 LYS A 81 13.021 10.534 -15.471 1.00 34.22 H new ATOM 0 HG3 LYS A 81 13.140 12.184 -14.893 1.00 34.22 H new ATOM 0 HD2 LYS A 81 15.604 12.079 -15.009 1.00 44.32 H new ATOM 0 HD3 LYS A 81 15.530 10.399 -15.500 1.00 44.32 H new ATOM 0 HE2 LYS A 81 13.916 12.275 -17.158 1.00 32.13 H new ATOM 0 HE3 LYS A 81 15.650 12.513 -17.239 1.00 32.13 H new ATOM 0 HZ1 LYS A 81 14.899 10.959 -18.921 1.00 13.32 H new ATOM 0 HZ2 LYS A 81 15.917 10.169 -17.815 1.00 13.32 H new ATOM 0 HZ3 LYS A 81 14.237 9.938 -17.736 1.00 13.32 H new ATOM 1272 N ARG A 82 14.795 13.764 -13.404 1.00 12.51 N ATOM 1273 CA ARG A 82 15.879 14.708 -13.651 1.00 15.05 C ATOM 1274 C ARG A 82 16.416 15.273 -12.339 1.00 42.31 C ATOM 1275 O ARG A 82 17.626 15.425 -12.165 1.00 54.11 O ATOM 1276 CB ARG A 82 15.396 15.848 -14.550 1.00 22.32 C ATOM 1277 CG ARG A 82 15.642 15.602 -16.029 1.00 61.34 C ATOM 1278 CD ARG A 82 15.570 16.894 -16.828 1.00 73.45 C ATOM 1279 NE ARG A 82 14.194 17.260 -17.153 1.00 72.25 N ATOM 1280 CZ ARG A 82 13.856 18.406 -17.735 1.00 20.45 C ATOM 1281 NH1 ARG A 82 14.789 19.292 -18.053 1.00 65.42 N ATOM 1282 NH2 ARG A 82 12.582 18.667 -17.999 1.00 21.35 N ATOM 0 H ARG A 82 13.933 13.970 -13.910 1.00 12.51 H new ATOM 0 HA ARG A 82 16.685 14.174 -14.154 1.00 15.05 H new ATOM 0 HB2 ARG A 82 14.329 16.000 -14.388 1.00 22.32 H new ATOM 0 HB3 ARG A 82 15.898 16.770 -14.255 1.00 22.32 H new ATOM 0 HG2 ARG A 82 16.621 15.143 -16.165 1.00 61.34 H new ATOM 0 HG3 ARG A 82 14.904 14.896 -16.409 1.00 61.34 H new ATOM 0 HD2 ARG A 82 16.034 17.699 -16.258 1.00 73.45 H new ATOM 0 HD3 ARG A 82 16.143 16.783 -17.749 1.00 73.45 H new ATOM 0 HE ARG A 82 13.452 16.600 -16.921 1.00 72.25 H new ATOM 0 HH11 ARG A 82 15.769 19.095 -17.851 1.00 65.42 H new ATOM 0 HH12 ARG A 82 14.527 20.171 -18.500 1.00 65.42 H new ATOM 0 HH21 ARG A 82 11.861 17.988 -17.755 1.00 21.35 H new ATOM 0 HH22 ARG A 82 12.324 19.547 -18.446 1.00 21.35 H new ATOM 1296 N LYS A 83 15.509 15.584 -11.419 1.00 25.21 N ATOM 1297 CA LYS A 83 15.891 16.132 -10.123 1.00 32.34 C ATOM 1298 C LYS A 83 15.912 15.041 -9.056 1.00 13.40 C ATOM 1299 O LYS A 83 16.852 14.948 -8.269 1.00 23.15 O ATOM 1300 CB LYS A 83 14.923 17.244 -9.711 1.00 64.23 C ATOM 1301 CG LYS A 83 15.563 18.319 -8.849 1.00 61.54 C ATOM 1302 CD LYS A 83 16.096 17.745 -7.547 1.00 13.10 C ATOM 1303 CE LYS A 83 16.272 18.827 -6.493 1.00 3.04 C ATOM 1304 NZ LYS A 83 17.447 19.696 -6.781 1.00 30.23 N ATOM 0 H LYS A 83 14.504 15.466 -11.547 1.00 25.21 H new ATOM 0 HA LYS A 83 16.895 16.547 -10.214 1.00 32.34 H new ATOM 0 HB2 LYS A 83 14.511 17.707 -10.608 1.00 64.23 H new ATOM 0 HB3 LYS A 83 14.087 16.804 -9.167 1.00 64.23 H new ATOM 0 HG2 LYS A 83 16.376 18.792 -9.399 1.00 61.54 H new ATOM 0 HG3 LYS A 83 14.831 19.097 -8.632 1.00 61.54 H new ATOM 0 HD2 LYS A 83 15.411 16.982 -7.177 1.00 13.10 H new ATOM 0 HD3 LYS A 83 17.052 17.253 -7.729 1.00 13.10 H new ATOM 0 HE2 LYS A 83 15.371 19.438 -6.446 1.00 3.04 H new ATOM 0 HE3 LYS A 83 16.394 18.364 -5.514 1.00 3.04 H new ATOM 0 HZ1 LYS A 83 17.533 20.421 -6.040 1.00 30.23 H new ATOM 0 HZ2 LYS A 83 18.311 19.117 -6.801 1.00 30.23 H new ATOM 0 HZ3 LYS A 83 17.319 20.158 -7.704 1.00 30.23 H new ATOM 1318 N GLY A 84 14.868 14.218 -9.037 1.00 62.55 N ATOM 1319 CA GLY A 84 14.788 13.144 -8.064 1.00 71.03 C ATOM 1320 C GLY A 84 14.635 13.657 -6.646 1.00 40.12 C ATOM 1321 O GLY A 84 15.211 13.100 -5.712 1.00 31.30 O ATOM 0 H GLY A 84 14.076 14.276 -9.678 1.00 62.55 H new ATOM 0 HA2 GLY A 84 13.943 12.500 -8.307 1.00 71.03 H new ATOM 0 HA3 GLY A 84 15.686 12.530 -8.130 1.00 71.03 H new