USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 547 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 55 THR OG1 : rot -71:sc= 0.853 USER MOD Set 1.2: A 57 SER OG : rot -84:sc= 1.11 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -176:sc= 0.82 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 79:sc= 0.725 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= 2.45 (180deg=2.31) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.02) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 22 THR OG1 : rot 92:sc= 0.647 USER MOD Single : A 25 ASN : amide:sc= 0.847 K(o=0.85,f=-0.99) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.21 (180deg=0.537) USER MOD Single : A 29 LYS NZ :NH3+ -127:sc= 0.369 (180deg=-0.0155) USER MOD Single : A 31 GLN : amide:sc= -0.615 X(o=-0.61,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= 1.22 (180deg=1.09) USER MOD Single : A 40 GLN : amide:sc=-0.00477 X(o=-0.0048,f=-0.42) USER MOD Single : A 41 GLN : amide:sc= 1.39 K(o=1.4,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.725 K(o=0.73,f=-6.1!) USER MOD Single : A 59 TYR OH : rot -165:sc= 1.26 USER MOD Single : A 60 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.75) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 63 LYS NZ :NH3+ -134:sc= 1.29 (180deg=0.858) USER MOD Single : A 65 SER OG : rot 70:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.902 51.849 19.792 1.00 0.00 N ATOM 2 CA MET A 1 33.163 52.209 21.194 1.00 0.00 C ATOM 3 C MET A 1 34.641 52.548 21.400 1.00 0.00 C ATOM 4 O MET A 1 35.497 52.007 20.705 1.00 0.00 O ATOM 5 CB MET A 1 32.715 51.123 22.169 1.00 0.00 C ATOM 6 CG MET A 1 33.470 49.802 22.049 1.00 0.00 C ATOM 7 SD MET A 1 32.975 48.562 23.271 1.00 0.00 S ATOM 8 CE MET A 1 34.172 47.253 22.904 1.00 0.00 C ATOM 0 H1 MET A 1 31.901 51.590 19.681 1.00 0.00 H new ATOM 0 H2 MET A 1 33.120 52.660 19.179 1.00 0.00 H new ATOM 0 H3 MET A 1 33.500 51.042 19.524 1.00 0.00 H new ATOM 0 HA MET A 1 32.566 53.095 21.411 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.828 51.499 23.186 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.653 50.933 22.016 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.315 49.395 21.050 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.538 49.994 22.153 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.004 46.409 23.573 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.050 46.927 21.871 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.183 47.634 23.047 1.00 0.00 H new ATOM 20 N GLN A 2 34.940 53.380 22.394 1.00 0.00 N ATOM 21 CA GLN A 2 36.294 53.652 22.828 1.00 0.00 C ATOM 22 C GLN A 2 36.798 52.558 23.771 1.00 0.00 C ATOM 23 O GLN A 2 36.069 52.116 24.656 1.00 0.00 O ATOM 24 CB GLN A 2 36.339 55.033 23.479 1.00 0.00 C ATOM 25 CG GLN A 2 37.754 55.459 23.860 1.00 0.00 C ATOM 26 CD GLN A 2 37.830 56.938 24.241 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.679 57.323 25.399 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.049 57.838 23.287 1.00 0.00 N ATOM 0 H GLN A 2 34.233 53.889 22.924 1.00 0.00 H new ATOM 0 HA GLN A 2 36.962 53.651 21.967 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.915 55.767 22.794 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.712 55.030 24.371 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.101 54.852 24.696 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.427 55.266 23.025 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.177 57.536 22.321 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.090 58.830 23.521 1.00 0.00 H new ATOM 37 N ILE A 3 38.067 52.183 23.631 1.00 0.00 N ATOM 38 CA ILE A 3 38.849 51.505 24.645 1.00 0.00 C ATOM 39 C ILE A 3 40.170 52.242 24.877 1.00 0.00 C ATOM 40 O ILE A 3 40.577 53.070 24.066 1.00 0.00 O ATOM 41 CB ILE A 3 39.076 50.030 24.326 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.869 49.818 23.039 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.752 49.273 24.331 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.412 48.403 22.870 1.00 0.00 C ATOM 0 H ILE A 3 38.593 52.352 22.774 1.00 0.00 H new ATOM 0 HA ILE A 3 38.272 51.526 25.570 1.00 0.00 H new ATOM 0 HB ILE A 3 39.700 49.614 25.117 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.231 50.055 22.188 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.702 50.521 23.018 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.932 48.223 24.102 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.290 49.355 25.315 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.086 49.699 23.580 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.963 48.334 21.932 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.078 48.167 23.700 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.584 47.695 22.857 1.00 0.00 H new ATOM 56 N PHE A 4 40.859 51.901 25.963 1.00 0.00 N ATOM 57 CA PHE A 4 42.167 52.416 26.317 1.00 0.00 C ATOM 58 C PHE A 4 43.215 51.300 26.313 1.00 0.00 C ATOM 59 O PHE A 4 42.938 50.190 26.763 1.00 0.00 O ATOM 60 CB PHE A 4 42.107 53.067 27.695 1.00 0.00 C ATOM 61 CG PHE A 4 41.033 54.112 27.878 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.181 55.375 27.289 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.906 53.838 28.659 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.198 56.354 27.474 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.925 54.820 28.853 1.00 0.00 C ATOM 66 CZ PHE A 4 39.065 56.075 28.249 1.00 0.00 C ATOM 0 H PHE A 4 40.502 51.231 26.644 1.00 0.00 H new ATOM 0 HA PHE A 4 42.458 53.159 25.575 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.959 52.285 28.440 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.074 53.526 27.903 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.054 55.593 26.692 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.791 52.866 29.115 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.313 57.326 27.018 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.062 54.609 29.468 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.301 56.827 28.380 1.00 0.00 H new ATOM 76 N VAL A 5 44.434 51.601 25.876 1.00 0.00 N ATOM 77 CA VAL A 5 45.575 50.716 25.996 1.00 0.00 C ATOM 78 C VAL A 5 46.724 51.446 26.694 1.00 0.00 C ATOM 79 O VAL A 5 47.130 52.524 26.264 1.00 0.00 O ATOM 80 CB VAL A 5 46.008 50.136 24.652 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.091 49.076 24.834 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.860 49.485 23.887 1.00 0.00 C ATOM 0 H VAL A 5 44.655 52.486 25.420 1.00 0.00 H new ATOM 0 HA VAL A 5 45.277 49.863 26.606 1.00 0.00 H new ATOM 0 HB VAL A 5 46.382 50.986 24.081 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.380 48.680 23.860 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.960 49.523 25.317 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.707 48.267 25.455 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.230 49.092 22.940 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.443 48.671 24.480 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.085 50.227 23.693 1.00 0.00 H new ATOM 92 N LYS A 6 47.239 50.855 27.769 1.00 0.00 N ATOM 93 CA LYS A 6 48.416 51.303 28.485 1.00 0.00 C ATOM 94 C LYS A 6 49.676 50.845 27.747 1.00 0.00 C ATOM 95 O LYS A 6 49.781 49.669 27.404 1.00 0.00 O ATOM 96 CB LYS A 6 48.359 50.779 29.918 1.00 0.00 C ATOM 97 CG LYS A 6 49.219 51.549 30.915 1.00 0.00 C ATOM 98 CD LYS A 6 48.727 52.950 31.267 1.00 0.00 C ATOM 99 CE LYS A 6 47.350 52.937 31.926 1.00 0.00 C ATOM 100 NZ LYS A 6 46.934 54.286 32.335 1.00 0.00 N ATOM 0 H LYS A 6 46.826 50.016 28.177 1.00 0.00 H new ATOM 0 HA LYS A 6 48.446 52.392 28.528 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.324 50.803 30.258 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.671 49.735 29.921 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.288 50.966 31.834 1.00 0.00 H new ATOM 0 HG3 LYS A 6 50.228 51.629 30.511 1.00 0.00 H new ATOM 0 HD2 LYS A 6 49.443 53.425 31.938 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.687 53.556 30.362 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.618 52.524 31.232 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.369 52.282 32.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.026 54.231 32.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.655 54.696 32.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.827 54.887 31.493 1.00 0.00 H new ATOM 168 N LYS A 11 52.173 55.639 29.123 1.00 0.00 N ATOM 169 CA LYS A 11 51.172 56.502 28.529 1.00 0.00 C ATOM 170 C LYS A 11 49.909 55.707 28.191 1.00 0.00 C ATOM 171 O LYS A 11 49.908 54.480 28.261 1.00 0.00 O ATOM 172 CB LYS A 11 51.758 57.198 27.303 1.00 0.00 C ATOM 173 CG LYS A 11 52.919 58.133 27.625 1.00 0.00 C ATOM 174 CD LYS A 11 53.549 58.676 26.345 1.00 0.00 C ATOM 175 CE LYS A 11 54.558 59.784 26.633 1.00 0.00 C ATOM 176 NZ LYS A 11 55.228 60.243 25.406 1.00 0.00 N ATOM 0 HA LYS A 11 50.881 57.271 29.245 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.098 56.442 26.595 1.00 0.00 H new ATOM 0 HB3 LYS A 11 50.971 57.767 26.809 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.566 58.960 28.241 1.00 0.00 H new ATOM 0 HG3 LYS A 11 53.670 57.600 28.208 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.044 57.864 25.811 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.767 59.059 25.689 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.050 60.624 27.106 1.00 0.00 H new ATOM 0 HE3 LYS A 11 55.304 59.422 27.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 55.906 60.996 25.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.733 59.447 24.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.519 60.612 24.740 1.00 0.00 H new ATOM 190 N THR A 12 48.822 56.382 27.828 1.00 0.00 N ATOM 191 CA THR A 12 47.584 55.757 27.410 1.00 0.00 C ATOM 192 C THR A 12 47.160 56.237 26.020 1.00 0.00 C ATOM 193 O THR A 12 47.017 57.436 25.791 1.00 0.00 O ATOM 194 CB THR A 12 46.473 55.984 28.430 1.00 0.00 C ATOM 195 OG1 THR A 12 46.841 55.426 29.672 1.00 0.00 O ATOM 196 CG2 THR A 12 45.157 55.306 28.054 1.00 0.00 C ATOM 0 H THR A 12 48.783 57.401 27.818 1.00 0.00 H new ATOM 0 HA THR A 12 47.765 54.684 27.351 1.00 0.00 H new ATOM 0 HB THR A 12 46.333 57.064 28.468 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.462 56.029 30.131 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.411 55.508 28.822 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.808 55.695 27.098 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.312 54.230 27.973 1.00 0.00 H new ATOM 204 N ILE A 13 46.903 55.294 25.118 1.00 0.00 N ATOM 205 CA ILE A 13 46.308 55.524 23.817 1.00 0.00 C ATOM 206 C ILE A 13 44.822 55.158 23.816 1.00 0.00 C ATOM 207 O ILE A 13 44.423 54.180 24.444 1.00 0.00 O ATOM 208 CB ILE A 13 47.089 54.854 22.689 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.192 53.340 22.845 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.452 55.525 22.551 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.916 52.618 21.712 1.00 0.00 C ATOM 0 H ILE A 13 47.114 54.310 25.286 1.00 0.00 H new ATOM 0 HA ILE A 13 46.370 56.593 23.615 1.00 0.00 H new ATOM 0 HB ILE A 13 46.534 54.995 21.762 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.706 53.121 23.781 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.186 52.930 22.931 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.012 55.049 21.746 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.316 56.582 22.322 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.003 55.424 23.486 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.936 51.548 21.917 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.393 52.798 20.773 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.937 52.992 21.636 1.00 0.00 H new ATOM 223 N THR A 14 44.011 55.931 23.099 1.00 0.00 N ATOM 224 CA THR A 14 42.630 55.599 22.810 1.00 0.00 C ATOM 225 C THR A 14 42.539 54.853 21.477 1.00 0.00 C ATOM 226 O THR A 14 43.270 55.173 20.542 1.00 0.00 O ATOM 227 CB THR A 14 41.697 56.806 22.803 1.00 0.00 C ATOM 228 OG1 THR A 14 42.084 57.795 21.876 1.00 0.00 O ATOM 229 CG2 THR A 14 41.612 57.487 24.166 1.00 0.00 C ATOM 0 H THR A 14 44.306 56.821 22.698 1.00 0.00 H new ATOM 0 HA THR A 14 42.291 54.958 23.624 1.00 0.00 H new ATOM 0 HB THR A 14 40.729 56.390 22.523 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.452 58.543 21.912 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.935 58.339 24.105 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.237 56.778 24.904 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.603 57.831 24.463 1.00 0.00 H new ATOM 237 N LEU A 15 41.655 53.864 21.383 1.00 0.00 N ATOM 238 CA LEU A 15 41.334 53.171 20.152 1.00 0.00 C ATOM 239 C LEU A 15 39.817 53.038 20.001 1.00 0.00 C ATOM 240 O LEU A 15 39.125 52.744 20.973 1.00 0.00 O ATOM 241 CB LEU A 15 42.002 51.798 20.128 1.00 0.00 C ATOM 242 CG LEU A 15 43.528 51.802 20.093 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.038 50.367 20.181 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.065 52.403 18.797 1.00 0.00 C ATOM 0 H LEU A 15 41.131 53.517 22.187 1.00 0.00 H new ATOM 0 HA LEU A 15 41.714 53.751 19.311 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.679 51.242 21.008 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.639 51.253 19.256 1.00 0.00 H new ATOM 0 HG LEU A 15 43.871 52.404 20.935 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.128 50.366 20.156 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.696 49.916 21.112 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.655 49.793 19.337 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.155 52.387 18.813 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.706 51.820 17.949 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.719 53.432 18.702 1.00 0.00 H new ATOM 256 N GLU A 16 39.313 53.205 18.782 1.00 0.00 N ATOM 257 CA GLU A 16 37.910 53.056 18.452 1.00 0.00 C ATOM 258 C GLU A 16 37.674 51.680 17.826 1.00 0.00 C ATOM 259 O GLU A 16 38.157 51.390 16.733 1.00 0.00 O ATOM 260 CB GLU A 16 37.498 54.226 17.562 1.00 0.00 C ATOM 261 CG GLU A 16 36.011 54.264 17.221 1.00 0.00 C ATOM 262 CD GLU A 16 35.105 54.580 18.412 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.439 55.456 19.239 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.991 54.016 18.473 1.00 0.00 O ATOM 0 H GLU A 16 39.890 53.454 17.979 1.00 0.00 H new ATOM 0 HA GLU A 16 37.278 53.091 19.340 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.769 55.158 18.059 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.070 54.181 16.635 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.846 55.011 16.445 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.720 53.300 16.803 1.00 0.00 H new ATOM 271 N VAL A 17 36.960 50.816 18.539 1.00 0.00 N ATOM 272 CA VAL A 17 36.791 49.404 18.262 1.00 0.00 C ATOM 273 C VAL A 17 35.322 48.980 18.322 1.00 0.00 C ATOM 274 O VAL A 17 34.458 49.755 18.726 1.00 0.00 O ATOM 275 CB VAL A 17 37.626 48.556 19.218 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.113 48.890 19.144 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.159 48.688 20.664 1.00 0.00 C ATOM 0 H VAL A 17 36.455 51.106 19.376 1.00 0.00 H new ATOM 0 HA VAL A 17 37.143 49.235 17.244 1.00 0.00 H new ATOM 0 HB VAL A 17 37.481 47.526 18.891 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.663 48.260 19.843 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.476 48.712 18.132 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.264 49.938 19.404 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.783 48.067 21.306 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.238 49.729 20.978 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.121 48.363 20.742 1.00 0.00 H new ATOM 287 N GLU A 18 35.012 47.742 17.950 1.00 0.00 N ATOM 288 CA GLU A 18 33.679 47.174 17.946 1.00 0.00 C ATOM 289 C GLU A 18 33.649 45.874 18.751 1.00 0.00 C ATOM 290 O GLU A 18 34.613 45.115 18.675 1.00 0.00 O ATOM 291 CB GLU A 18 33.281 46.951 16.490 1.00 0.00 C ATOM 292 CG GLU A 18 31.783 46.845 16.219 1.00 0.00 C ATOM 293 CD GLU A 18 31.094 48.198 16.410 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.437 48.407 17.452 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.263 49.101 15.562 1.00 0.00 O ATOM 0 H GLU A 18 35.720 47.081 17.629 1.00 0.00 H new ATOM 0 HA GLU A 18 32.966 47.848 18.420 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.682 47.771 15.894 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.760 46.037 16.138 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.618 46.489 15.202 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.340 46.109 16.890 1.00 0.00 H new ATOM 302 N PRO A 19 32.587 45.529 19.472 1.00 0.00 N ATOM 303 CA PRO A 19 32.485 44.272 20.186 1.00 0.00 C ATOM 304 C PRO A 19 32.683 43.008 19.345 1.00 0.00 C ATOM 305 O PRO A 19 32.985 41.950 19.893 1.00 0.00 O ATOM 306 CB PRO A 19 31.098 44.282 20.824 1.00 0.00 C ATOM 307 CG PRO A 19 30.838 45.767 21.064 1.00 0.00 C ATOM 308 CD PRO A 19 31.488 46.400 19.837 1.00 0.00 C ATOM 0 HA PRO A 19 33.302 44.216 20.905 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.348 43.843 20.166 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.078 43.714 21.754 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.773 45.991 21.124 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.290 46.116 21.992 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.773 46.489 19.019 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.845 47.406 20.060 1.00 0.00 H new ATOM 316 N SER A 20 32.540 43.118 18.028 1.00 0.00 N ATOM 317 CA SER A 20 32.772 42.094 17.028 1.00 0.00 C ATOM 318 C SER A 20 34.208 41.993 16.509 1.00 0.00 C ATOM 319 O SER A 20 34.485 41.097 15.714 1.00 0.00 O ATOM 320 CB SER A 20 31.825 42.331 15.856 1.00 0.00 C ATOM 321 OG SER A 20 31.919 43.651 15.366 1.00 0.00 O ATOM 0 H SER A 20 32.235 43.995 17.605 1.00 0.00 H new ATOM 0 HA SER A 20 32.584 41.143 17.527 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.055 41.629 15.055 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.800 42.132 16.170 1.00 0.00 H new ATOM 0 HG SER A 20 31.300 43.766 14.615 1.00 0.00 H new ATOM 327 N ASP A 21 35.123 42.874 16.900 1.00 0.00 N ATOM 328 CA ASP A 21 36.516 42.817 16.504 1.00 0.00 C ATOM 329 C ASP A 21 37.249 41.668 17.199 1.00 0.00 C ATOM 330 O ASP A 21 37.054 41.461 18.395 1.00 0.00 O ATOM 331 CB ASP A 21 37.240 44.117 16.844 1.00 0.00 C ATOM 332 CG ASP A 21 36.969 45.260 15.864 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.834 44.979 14.654 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.970 46.440 16.277 1.00 0.00 O ATOM 0 H ASP A 21 34.908 43.661 17.513 1.00 0.00 H new ATOM 0 HA ASP A 21 36.525 42.658 15.426 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.945 44.433 17.844 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.313 43.925 16.874 1.00 0.00 H new ATOM 339 N THR A 22 38.133 40.970 16.492 1.00 0.00 N ATOM 340 CA THR A 22 39.100 40.077 17.098 1.00 0.00 C ATOM 341 C THR A 22 40.384 40.817 17.477 1.00 0.00 C ATOM 342 O THR A 22 40.625 41.932 17.022 1.00 0.00 O ATOM 343 CB THR A 22 39.381 38.833 16.259 1.00 0.00 C ATOM 344 OG1 THR A 22 40.132 39.145 15.107 1.00 0.00 O ATOM 345 CG2 THR A 22 38.125 38.090 15.816 1.00 0.00 C ATOM 0 H THR A 22 38.194 41.013 15.475 1.00 0.00 H new ATOM 0 HA THR A 22 38.645 39.712 18.019 1.00 0.00 H new ATOM 0 HB THR A 22 39.947 38.179 16.923 1.00 0.00 H new ATOM 0 HG1 THR A 22 41.087 39.043 15.302 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.407 37.219 15.225 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.565 37.767 16.693 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.504 38.752 15.213 1.00 0.00 H new ATOM 353 N ILE A 23 41.218 40.209 18.316 1.00 0.00 N ATOM 354 CA ILE A 23 42.387 40.843 18.894 1.00 0.00 C ATOM 355 C ILE A 23 43.371 41.334 17.831 1.00 0.00 C ATOM 356 O ILE A 23 43.988 42.384 17.993 1.00 0.00 O ATOM 357 CB ILE A 23 43.061 39.904 19.892 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.099 39.256 20.882 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.173 40.612 20.659 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.159 40.218 21.604 1.00 0.00 C ATOM 0 H ILE A 23 41.093 39.242 18.616 1.00 0.00 H new ATOM 0 HA ILE A 23 42.049 41.731 19.428 1.00 0.00 H new ATOM 0 HB ILE A 23 43.481 39.104 19.282 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.498 38.518 20.350 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.681 38.715 21.628 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.632 39.915 21.361 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.927 40.970 19.958 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.756 41.457 21.207 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.517 39.658 22.284 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.744 40.942 22.171 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.543 40.742 20.873 1.00 0.00 H new ATOM 372 N GLU A 24 43.465 40.639 16.700 1.00 0.00 N ATOM 373 CA GLU A 24 44.262 41.013 15.550 1.00 0.00 C ATOM 374 C GLU A 24 43.938 42.416 15.033 1.00 0.00 C ATOM 375 O GLU A 24 44.849 43.170 14.700 1.00 0.00 O ATOM 376 CB GLU A 24 44.057 40.006 14.423 1.00 0.00 C ATOM 377 CG GLU A 24 44.339 38.552 14.793 1.00 0.00 C ATOM 378 CD GLU A 24 43.064 37.773 15.124 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.397 38.096 16.130 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.705 36.841 14.372 1.00 0.00 O ATOM 0 H GLU A 24 42.963 39.762 16.561 1.00 0.00 H new ATOM 0 HA GLU A 24 45.301 41.015 15.878 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.028 40.082 14.072 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.700 40.283 13.588 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.855 38.064 13.966 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.012 38.523 15.650 1.00 0.00 H new ATOM 387 N ASN A 25 42.660 42.786 15.042 1.00 0.00 N ATOM 388 CA ASN A 25 42.176 44.076 14.593 1.00 0.00 C ATOM 389 C ASN A 25 42.654 45.210 15.503 1.00 0.00 C ATOM 390 O ASN A 25 42.901 46.316 15.028 1.00 0.00 O ATOM 391 CB ASN A 25 40.652 44.087 14.537 1.00 0.00 C ATOM 392 CG ASN A 25 40.000 43.041 13.631 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.644 42.175 13.042 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.676 43.066 13.503 1.00 0.00 N ATOM 0 H ASN A 25 41.915 42.173 15.373 1.00 0.00 H new ATOM 0 HA ASN A 25 42.582 44.239 13.595 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.271 43.948 15.549 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.329 45.074 14.207 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.207 42.372 12.921 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.130 43.779 13.986 1.00 0.00 H new ATOM 401 N VAL A 26 42.821 44.942 16.795 1.00 0.00 N ATOM 402 CA VAL A 26 43.308 45.905 17.763 1.00 0.00 C ATOM 403 C VAL A 26 44.834 46.006 17.694 1.00 0.00 C ATOM 404 O VAL A 26 45.375 47.109 17.675 1.00 0.00 O ATOM 405 CB VAL A 26 42.833 45.568 19.174 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.193 46.676 20.159 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.318 45.395 19.214 1.00 0.00 C ATOM 0 H VAL A 26 42.616 44.029 17.201 1.00 0.00 H new ATOM 0 HA VAL A 26 42.892 46.880 17.511 1.00 0.00 H new ATOM 0 HB VAL A 26 43.330 44.639 19.455 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.841 46.406 21.155 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.275 46.807 20.180 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.720 47.608 19.847 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.006 45.155 20.231 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.838 46.320 18.895 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.026 44.586 18.545 1.00 0.00 H new ATOM 417 N LYS A 27 45.531 44.881 17.563 1.00 0.00 N ATOM 418 CA LYS A 27 46.969 44.845 17.392 1.00 0.00 C ATOM 419 C LYS A 27 47.429 45.615 16.153 1.00 0.00 C ATOM 420 O LYS A 27 48.460 46.283 16.197 1.00 0.00 O ATOM 421 CB LYS A 27 47.463 43.402 17.339 1.00 0.00 C ATOM 422 CG LYS A 27 47.368 42.674 18.677 1.00 0.00 C ATOM 423 CD LYS A 27 47.797 41.217 18.523 1.00 0.00 C ATOM 424 CE LYS A 27 47.902 40.526 19.880 1.00 0.00 C ATOM 425 NZ LYS A 27 48.179 39.091 19.716 1.00 0.00 N ATOM 0 H LYS A 27 45.100 43.957 17.574 1.00 0.00 H new ATOM 0 HA LYS A 27 47.408 45.342 18.257 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.883 42.855 16.595 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.500 43.394 17.003 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.000 43.170 19.413 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.345 42.721 19.052 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.078 40.688 17.897 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.759 41.170 18.013 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.694 40.989 20.468 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.973 40.661 20.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.839 38.574 20.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.691 38.738 18.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.203 38.945 19.611 1.00 0.00 H new ATOM 439 N ALA A 28 46.650 45.596 15.074 1.00 0.00 N ATOM 440 CA ALA A 28 46.906 46.391 13.891 1.00 0.00 C ATOM 441 C ALA A 28 46.908 47.894 14.179 1.00 0.00 C ATOM 442 O ALA A 28 47.805 48.601 13.726 1.00 0.00 O ATOM 443 CB ALA A 28 45.875 46.020 12.829 1.00 0.00 C ATOM 0 H ALA A 28 45.813 45.017 15.003 1.00 0.00 H new ATOM 0 HA ALA A 28 47.909 46.167 13.527 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.052 46.609 11.929 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.963 44.960 12.592 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.873 46.226 13.207 1.00 0.00 H new ATOM 449 N LYS A 29 45.988 48.396 14.999 1.00 0.00 N ATOM 450 CA LYS A 29 45.924 49.799 15.355 1.00 0.00 C ATOM 451 C LYS A 29 47.044 50.201 16.318 1.00 0.00 C ATOM 452 O LYS A 29 47.559 51.315 16.248 1.00 0.00 O ATOM 453 CB LYS A 29 44.540 50.155 15.891 1.00 0.00 C ATOM 454 CG LYS A 29 43.450 49.921 14.850 1.00 0.00 C ATOM 455 CD LYS A 29 42.051 50.332 15.298 1.00 0.00 C ATOM 456 CE LYS A 29 41.099 50.123 14.124 1.00 0.00 C ATOM 457 NZ LYS A 29 39.718 50.526 14.430 1.00 0.00 N ATOM 0 H LYS A 29 45.261 47.829 15.436 1.00 0.00 H new ATOM 0 HA LYS A 29 46.086 50.382 14.448 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.329 49.557 16.778 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.528 51.200 16.201 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.705 50.472 13.945 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.438 48.863 14.586 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.735 49.737 16.155 1.00 0.00 H new ATOM 0 HD3 LYS A 29 42.043 51.375 15.614 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.457 50.692 13.266 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.110 49.072 13.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.071 49.741 14.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.642 50.768 15.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.463 51.354 13.855 1.00 0.00 H new ATOM 471 N ILE A 30 47.503 49.274 17.154 1.00 0.00 N ATOM 472 CA ILE A 30 48.673 49.460 17.988 1.00 0.00 C ATOM 473 C ILE A 30 49.952 49.542 17.152 1.00 0.00 C ATOM 474 O ILE A 30 50.838 50.319 17.497 1.00 0.00 O ATOM 475 CB ILE A 30 48.727 48.389 19.075 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.541 48.536 20.023 1.00 0.00 C ATOM 477 CG2 ILE A 30 50.034 48.434 19.861 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.377 47.378 21.004 1.00 0.00 C ATOM 0 H ILE A 30 47.062 48.361 17.268 1.00 0.00 H new ATOM 0 HA ILE A 30 48.594 50.421 18.496 1.00 0.00 H new ATOM 0 HB ILE A 30 48.676 47.420 18.578 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.654 49.462 20.587 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.629 48.630 19.434 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.027 47.655 20.623 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.872 48.272 19.183 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.138 49.408 20.339 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.512 47.561 21.641 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.231 46.450 20.451 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.271 47.295 21.622 1.00 0.00 H new ATOM 490 N GLN A 31 50.058 48.843 16.025 1.00 0.00 N ATOM 491 CA GLN A 31 51.176 49.017 15.120 1.00 0.00 C ATOM 492 C GLN A 31 51.211 50.424 14.517 1.00 0.00 C ATOM 493 O GLN A 31 52.275 51.034 14.447 1.00 0.00 O ATOM 494 CB GLN A 31 51.162 47.950 14.029 1.00 0.00 C ATOM 495 CG GLN A 31 52.456 48.016 13.225 1.00 0.00 C ATOM 496 CD GLN A 31 52.587 46.968 12.117 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.630 46.369 11.630 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.819 46.698 11.695 1.00 0.00 N ATOM 0 H GLN A 31 49.376 48.148 15.721 1.00 0.00 H new ATOM 0 HA GLN A 31 52.089 48.897 15.703 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.051 46.962 14.475 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.306 48.101 13.371 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.537 49.007 12.778 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.297 47.905 13.910 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.615 47.193 12.096 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.967 45.996 10.970 1.00 0.00 H new ATOM 507 N ASP A 32 50.057 50.966 14.139 1.00 0.00 N ATOM 508 CA ASP A 32 49.940 52.307 13.601 1.00 0.00 C ATOM 509 C ASP A 32 50.401 53.370 14.598 1.00 0.00 C ATOM 510 O ASP A 32 51.151 54.270 14.227 1.00 0.00 O ATOM 511 CB ASP A 32 48.498 52.529 13.150 1.00 0.00 C ATOM 512 CG ASP A 32 48.287 53.901 12.507 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.463 54.024 11.276 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.941 54.861 13.230 1.00 0.00 O ATOM 0 H ASP A 32 49.166 50.474 14.201 1.00 0.00 H new ATOM 0 HA ASP A 32 50.603 52.406 12.742 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.220 51.752 12.438 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.833 52.428 14.008 1.00 0.00 H new ATOM 519 N LYS A 33 50.000 53.264 15.862 1.00 0.00 N ATOM 520 CA LYS A 33 50.333 54.228 16.892 1.00 0.00 C ATOM 521 C LYS A 33 51.712 54.047 17.528 1.00 0.00 C ATOM 522 O LYS A 33 52.412 55.040 17.710 1.00 0.00 O ATOM 523 CB LYS A 33 49.222 54.305 17.936 1.00 0.00 C ATOM 524 CG LYS A 33 47.915 54.822 17.341 1.00 0.00 C ATOM 525 CD LYS A 33 46.898 55.214 18.410 1.00 0.00 C ATOM 526 CE LYS A 33 45.645 55.777 17.746 1.00 0.00 C ATOM 527 NZ LYS A 33 44.832 56.551 18.697 1.00 0.00 N ATOM 0 H LYS A 33 49.426 52.491 16.199 1.00 0.00 H new ATOM 0 HA LYS A 33 50.406 55.189 16.382 1.00 0.00 H new ATOM 0 HB2 LYS A 33 49.059 53.317 18.366 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.534 54.959 18.750 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.124 55.686 16.710 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.484 54.054 16.699 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.641 54.346 19.017 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.330 55.956 19.082 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.931 56.413 16.908 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.050 54.960 17.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.161 57.149 18.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.307 55.900 19.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.453 57.152 19.275 1.00 0.00 H new ATOM 541 N GLU A 34 52.145 52.828 17.838 1.00 0.00 N ATOM 542 CA GLU A 34 53.336 52.553 18.617 1.00 0.00 C ATOM 543 C GLU A 34 54.496 51.932 17.836 1.00 0.00 C ATOM 544 O GLU A 34 55.607 51.889 18.358 1.00 0.00 O ATOM 545 CB GLU A 34 52.980 51.683 19.820 1.00 0.00 C ATOM 546 CG GLU A 34 52.030 52.332 20.823 1.00 0.00 C ATOM 547 CD GLU A 34 52.697 53.477 21.589 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.371 53.214 22.608 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.588 54.649 21.169 1.00 0.00 O ATOM 0 H GLU A 34 51.658 51.982 17.542 1.00 0.00 H new ATOM 0 HA GLU A 34 53.704 53.527 18.939 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.529 50.758 19.460 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.900 51.409 20.337 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.152 52.710 20.298 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.680 51.579 21.529 1.00 0.00 H new ATOM 556 N GLY A 35 54.285 51.475 16.605 1.00 0.00 N ATOM 557 CA GLY A 35 55.341 50.941 15.767 1.00 0.00 C ATOM 558 C GLY A 35 55.845 49.553 16.164 1.00 0.00 C ATOM 559 O GLY A 35 57.035 49.276 16.039 1.00 0.00 O ATOM 0 H GLY A 35 53.366 51.467 16.162 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.982 50.900 14.739 1.00 0.00 H new ATOM 0 HA3 GLY A 35 56.182 51.634 15.783 1.00 0.00 H new ATOM 563 N ILE A 36 54.964 48.693 16.668 1.00 0.00 N ATOM 564 CA ILE A 36 55.265 47.346 17.109 1.00 0.00 C ATOM 565 C ILE A 36 54.543 46.364 16.183 1.00 0.00 C ATOM 566 O ILE A 36 53.314 46.382 16.165 1.00 0.00 O ATOM 567 CB ILE A 36 54.858 47.144 18.566 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.556 48.124 19.504 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.161 45.710 18.991 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.966 48.189 20.911 1.00 0.00 C ATOM 0 H ILE A 36 53.979 48.933 16.783 1.00 0.00 H new ATOM 0 HA ILE A 36 56.339 47.169 17.057 1.00 0.00 H new ATOM 0 HB ILE A 36 53.787 47.335 18.637 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.608 47.849 19.578 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.517 49.120 19.062 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.869 45.570 20.032 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.602 45.018 18.361 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.228 45.517 18.884 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.525 48.911 21.507 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.922 48.497 20.854 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.030 47.206 21.378 1.00 0.00 H new ATOM 582 N PRO A 37 55.224 45.496 15.441 1.00 0.00 N ATOM 583 CA PRO A 37 54.585 44.502 14.601 1.00 0.00 C ATOM 584 C PRO A 37 53.651 43.573 15.379 1.00 0.00 C ATOM 585 O PRO A 37 54.043 43.100 16.442 1.00 0.00 O ATOM 586 CB PRO A 37 55.710 43.734 13.913 1.00 0.00 C ATOM 587 CG PRO A 37 56.837 44.762 13.873 1.00 0.00 C ATOM 588 CD PRO A 37 56.650 45.516 15.186 1.00 0.00 C ATOM 0 HA PRO A 37 53.936 44.988 13.872 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.994 42.843 14.472 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.425 43.406 12.914 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.816 44.287 13.815 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.752 45.423 13.011 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.201 45.037 15.996 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.021 46.538 15.109 1.00 0.00 H new ATOM 596 N PRO A 38 52.448 43.263 14.901 1.00 0.00 N ATOM 597 CA PRO A 38 51.456 42.509 15.639 1.00 0.00 C ATOM 598 C PRO A 38 51.875 41.136 16.171 1.00 0.00 C ATOM 599 O PRO A 38 51.379 40.732 17.220 1.00 0.00 O ATOM 600 CB PRO A 38 50.250 42.396 14.711 1.00 0.00 C ATOM 601 CG PRO A 38 50.300 43.743 13.995 1.00 0.00 C ATOM 602 CD PRO A 38 51.801 43.897 13.771 1.00 0.00 C ATOM 0 HA PRO A 38 51.254 43.050 16.564 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.340 41.559 14.019 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.319 42.256 15.261 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.742 43.733 13.059 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.889 44.549 14.603 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.105 43.427 12.835 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.078 44.949 13.704 1.00 0.00 H new ATOM 610 N ASP A 39 52.811 40.438 15.536 1.00 0.00 N ATOM 611 CA ASP A 39 53.323 39.185 16.056 1.00 0.00 C ATOM 612 C ASP A 39 54.181 39.336 17.314 1.00 0.00 C ATOM 613 O ASP A 39 54.367 38.356 18.031 1.00 0.00 O ATOM 614 CB ASP A 39 54.023 38.383 14.963 1.00 0.00 C ATOM 615 CG ASP A 39 55.428 38.889 14.625 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.546 39.829 13.809 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.411 38.282 15.101 1.00 0.00 O ATOM 0 H ASP A 39 53.231 40.727 14.652 1.00 0.00 H new ATOM 0 HA ASP A 39 52.454 38.615 16.386 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.088 37.341 15.276 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.412 38.407 14.061 1.00 0.00 H new ATOM 622 N GLN A 40 54.646 40.542 17.626 1.00 0.00 N ATOM 623 CA GLN A 40 55.419 40.875 18.806 1.00 0.00 C ATOM 624 C GLN A 40 54.567 41.367 19.978 1.00 0.00 C ATOM 625 O GLN A 40 55.099 41.574 21.066 1.00 0.00 O ATOM 626 CB GLN A 40 56.483 41.918 18.473 1.00 0.00 C ATOM 627 CG GLN A 40 57.365 41.598 17.270 1.00 0.00 C ATOM 628 CD GLN A 40 58.426 42.666 16.997 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.728 43.542 17.804 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.051 42.636 15.823 1.00 0.00 N ATOM 0 H GLN A 40 54.482 41.352 17.028 1.00 0.00 H new ATOM 0 HA GLN A 40 55.891 39.946 19.125 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.988 42.872 18.294 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.123 42.050 19.345 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.858 40.640 17.434 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.736 41.486 16.387 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.816 41.917 15.138 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.765 43.332 15.608 1.00 0.00 H new ATOM 639 N GLN A 41 53.267 41.571 19.783 1.00 0.00 N ATOM 640 CA GLN A 41 52.387 42.169 20.766 1.00 0.00 C ATOM 641 C GLN A 41 51.671 41.129 21.631 1.00 0.00 C ATOM 642 O GLN A 41 51.084 40.187 21.103 1.00 0.00 O ATOM 643 CB GLN A 41 51.335 43.045 20.091 1.00 0.00 C ATOM 644 CG GLN A 41 51.882 44.227 19.296 1.00 0.00 C ATOM 645 CD GLN A 41 50.747 45.046 18.679 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.634 45.100 19.199 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.944 45.701 17.539 1.00 0.00 N ATOM 0 H GLN A 41 52.792 41.318 18.917 1.00 0.00 H new ATOM 0 HA GLN A 41 53.026 42.772 21.412 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.742 42.422 19.422 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.658 43.425 20.856 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.481 44.863 19.948 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.544 43.865 18.509 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.858 45.673 17.086 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.182 46.231 17.117 1.00 0.00 H new ATOM 656 N ARG A 42 51.616 41.344 22.943 1.00 0.00 N ATOM 657 CA ARG A 42 50.743 40.636 23.857 1.00 0.00 C ATOM 658 C ARG A 42 49.834 41.623 24.592 1.00 0.00 C ATOM 659 O ARG A 42 50.330 42.588 25.171 1.00 0.00 O ATOM 660 CB ARG A 42 51.548 39.789 24.840 1.00 0.00 C ATOM 661 CG ARG A 42 52.473 38.785 24.160 1.00 0.00 C ATOM 662 CD ARG A 42 53.027 37.706 25.087 1.00 0.00 C ATOM 663 NE ARG A 42 53.762 38.246 26.231 1.00 0.00 N ATOM 664 CZ ARG A 42 53.353 38.299 27.506 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.129 37.930 27.908 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.204 38.749 28.438 1.00 0.00 N ATOM 0 H ARG A 42 52.199 42.040 23.408 1.00 0.00 H new ATOM 0 HA ARG A 42 50.115 39.957 23.279 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.142 40.448 25.474 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.860 39.253 25.494 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.931 38.304 23.346 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.307 39.324 23.712 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.203 37.092 25.451 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.686 37.051 24.517 1.00 0.00 H new ATOM 0 HE ARG A 42 54.689 38.624 26.036 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.451 37.586 27.228 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.875 37.993 28.894 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.143 39.043 28.171 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.912 38.797 29.414 1.00 0.00 H new ATOM 680 N LEU A 43 48.525 41.392 24.558 1.00 0.00 N ATOM 681 CA LEU A 43 47.528 42.207 25.221 1.00 0.00 C ATOM 682 C LEU A 43 46.907 41.475 26.413 1.00 0.00 C ATOM 683 O LEU A 43 46.446 40.344 26.282 1.00 0.00 O ATOM 684 CB LEU A 43 46.452 42.643 24.230 1.00 0.00 C ATOM 685 CG LEU A 43 46.856 43.792 23.310 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.814 43.944 22.207 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.942 45.118 24.060 1.00 0.00 C ATOM 0 H LEU A 43 48.122 40.605 24.050 1.00 0.00 H new ATOM 0 HA LEU A 43 48.025 43.097 25.607 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.174 41.786 23.617 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.563 42.938 24.787 1.00 0.00 H new ATOM 0 HG LEU A 43 47.838 43.554 22.901 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.099 44.764 21.548 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.755 43.020 21.632 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.842 44.157 22.652 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.232 45.909 23.369 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.970 45.354 24.494 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.685 45.039 24.854 1.00 0.00 H new ATOM 699 N ILE A 44 46.878 42.145 27.563 1.00 0.00 N ATOM 700 CA ILE A 44 46.401 41.617 28.825 1.00 0.00 C ATOM 701 C ILE A 44 45.247 42.482 29.337 1.00 0.00 C ATOM 702 O ILE A 44 45.279 43.707 29.236 1.00 0.00 O ATOM 703 CB ILE A 44 47.545 41.472 29.824 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.747 40.756 29.216 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.079 40.725 31.070 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.931 40.548 30.157 1.00 0.00 C ATOM 0 H ILE A 44 47.201 43.110 27.637 1.00 0.00 H new ATOM 0 HA ILE A 44 46.009 40.610 28.682 1.00 0.00 H new ATOM 0 HB ILE A 44 47.857 42.479 30.100 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.421 39.783 28.849 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.088 41.325 28.351 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.909 40.632 31.770 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.266 41.277 31.542 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.728 39.732 30.789 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.731 40.031 29.627 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.293 41.515 30.506 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.616 39.949 31.011 1.00 0.00 H new ATOM 718 N PHE A 45 44.215 41.842 29.880 1.00 0.00 N ATOM 719 CA PHE A 45 43.063 42.467 30.498 1.00 0.00 C ATOM 720 C PHE A 45 42.831 41.849 31.877 1.00 0.00 C ATOM 721 O PHE A 45 42.676 40.633 31.972 1.00 0.00 O ATOM 722 CB PHE A 45 41.852 42.266 29.591 1.00 0.00 C ATOM 723 CG PHE A 45 40.551 42.887 30.042 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.524 44.175 30.589 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.350 42.190 29.862 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.309 44.751 30.982 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.131 42.771 30.234 1.00 0.00 C ATOM 728 CZ PHE A 45 38.110 44.051 30.801 1.00 0.00 C ATOM 0 H PHE A 45 44.163 40.824 29.899 1.00 0.00 H new ATOM 0 HA PHE A 45 43.229 43.536 30.629 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.095 42.665 28.606 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.693 41.195 29.470 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.444 44.727 30.709 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.364 41.199 29.434 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.297 45.736 31.425 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.207 42.232 30.083 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.172 44.497 31.098 1.00 0.00 H new ATOM 738 N ALA A 46 42.825 42.650 32.940 1.00 0.00 N ATOM 739 CA ALA A 46 42.664 42.193 34.304 1.00 0.00 C ATOM 740 C ALA A 46 43.557 41.005 34.670 1.00 0.00 C ATOM 741 O ALA A 46 43.136 40.072 35.350 1.00 0.00 O ATOM 742 CB ALA A 46 41.179 41.990 34.591 1.00 0.00 C ATOM 0 H ALA A 46 42.936 43.661 32.866 1.00 0.00 H new ATOM 0 HA ALA A 46 43.028 42.969 34.977 1.00 0.00 H new ATOM 0 HB1 ALA A 46 41.050 41.646 35.617 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.650 42.933 34.456 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.774 41.246 33.905 1.00 0.00 H new ATOM 748 N GLY A 47 44.799 41.006 34.195 1.00 0.00 N ATOM 749 CA GLY A 47 45.777 39.958 34.413 1.00 0.00 C ATOM 750 C GLY A 47 45.706 38.732 33.501 1.00 0.00 C ATOM 751 O GLY A 47 46.652 37.947 33.523 1.00 0.00 O ATOM 0 H GLY A 47 45.161 41.771 33.625 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.770 40.397 34.312 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.682 39.617 35.444 1.00 0.00 H new ATOM 755 N LYS A 48 44.678 38.554 32.675 1.00 0.00 N ATOM 756 CA LYS A 48 44.550 37.458 31.735 1.00 0.00 C ATOM 757 C LYS A 48 44.835 37.879 30.292 1.00 0.00 C ATOM 758 O LYS A 48 44.494 38.992 29.897 1.00 0.00 O ATOM 759 CB LYS A 48 43.205 36.755 31.890 1.00 0.00 C ATOM 760 CG LYS A 48 41.958 37.621 31.730 1.00 0.00 C ATOM 761 CD LYS A 48 40.718 36.733 31.691 1.00 0.00 C ATOM 762 CE LYS A 48 39.447 37.545 31.457 1.00 0.00 C ATOM 763 NZ LYS A 48 38.282 36.654 31.359 1.00 0.00 N ATOM 0 H LYS A 48 43.886 39.196 32.646 1.00 0.00 H new ATOM 0 HA LYS A 48 45.324 36.731 31.981 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.156 35.949 31.158 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.174 36.292 32.877 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.885 38.328 32.557 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.026 38.208 30.814 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.827 35.992 30.899 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.633 36.186 32.630 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.304 38.253 32.274 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.544 38.129 30.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.424 37.220 31.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.414 35.995 30.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.182 36.115 32.243 1.00 0.00 H new ATOM 777 N GLN A 49 45.464 37.021 29.494 1.00 0.00 N ATOM 778 CA GLN A 49 45.840 37.347 28.133 1.00 0.00 C ATOM 779 C GLN A 49 44.665 37.228 27.159 1.00 0.00 C ATOM 780 O GLN A 49 43.852 36.311 27.247 1.00 0.00 O ATOM 781 CB GLN A 49 47.037 36.503 27.706 1.00 0.00 C ATOM 782 CG GLN A 49 47.574 36.893 26.333 1.00 0.00 C ATOM 783 CD GLN A 49 48.976 36.327 26.097 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.977 36.973 26.402 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.116 35.111 25.578 1.00 0.00 N ATOM 0 H GLN A 49 45.726 36.078 29.780 1.00 0.00 H new ATOM 0 HA GLN A 49 46.137 38.395 28.105 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.831 36.607 28.445 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.749 35.452 27.693 1.00 0.00 H new ATOM 0 HG2 GLN A 49 46.898 36.528 25.560 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.600 37.979 26.246 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.292 34.568 25.322 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.048 34.721 25.436 1.00 0.00 H new ATOM 794 N LEU A 50 44.614 38.130 26.182 1.00 0.00 N ATOM 795 CA LEU A 50 43.668 38.110 25.086 1.00 0.00 C ATOM 796 C LEU A 50 44.258 37.321 23.914 1.00 0.00 C ATOM 797 O LEU A 50 45.111 37.833 23.193 1.00 0.00 O ATOM 798 CB LEU A 50 43.320 39.544 24.699 1.00 0.00 C ATOM 799 CG LEU A 50 42.799 40.442 25.817 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.439 41.812 25.248 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.555 39.873 26.493 1.00 0.00 C ATOM 0 H LEU A 50 45.257 38.921 26.137 1.00 0.00 H new ATOM 0 HA LEU A 50 42.746 37.611 25.384 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.210 40.009 24.275 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.570 39.512 23.909 1.00 0.00 H new ATOM 0 HG LEU A 50 43.594 40.514 26.559 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.067 42.452 26.048 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.325 42.265 24.803 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.668 41.698 24.486 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.226 40.551 27.280 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.760 39.760 25.756 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.789 38.900 26.926 1.00 0.00 H new ATOM 813 N GLU A 51 43.834 36.076 23.725 1.00 0.00 N ATOM 814 CA GLU A 51 44.274 35.222 22.639 1.00 0.00 C ATOM 815 C GLU A 51 43.480 35.480 21.357 1.00 0.00 C ATOM 816 O GLU A 51 42.258 35.606 21.368 1.00 0.00 O ATOM 817 CB GLU A 51 44.268 33.758 23.069 1.00 0.00 C ATOM 818 CG GLU A 51 44.882 32.823 22.032 1.00 0.00 C ATOM 819 CD GLU A 51 44.976 31.375 22.517 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.976 31.022 23.180 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.065 30.568 22.232 1.00 0.00 O ATOM 0 H GLU A 51 43.157 35.626 24.341 1.00 0.00 H new ATOM 0 HA GLU A 51 45.307 35.474 22.398 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.815 33.659 24.006 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.242 33.448 23.265 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.285 32.857 21.121 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.879 33.180 21.774 1.00 0.00 H new ATOM 828 N ASP A 52 44.199 35.580 20.243 1.00 0.00 N ATOM 829 CA ASP A 52 43.742 35.953 18.919 1.00 0.00 C ATOM 830 C ASP A 52 42.639 35.058 18.351 1.00 0.00 C ATOM 831 O ASP A 52 42.518 33.886 18.700 1.00 0.00 O ATOM 832 CB ASP A 52 44.950 35.969 17.986 1.00 0.00 C ATOM 833 CG ASP A 52 46.121 36.795 18.523 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.407 37.883 17.978 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.784 36.348 19.484 1.00 0.00 O ATOM 0 H ASP A 52 45.200 35.385 20.250 1.00 0.00 H new ATOM 0 HA ASP A 52 43.285 36.939 19.001 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.284 34.945 17.818 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.647 36.368 17.018 1.00 0.00 H new ATOM 840 N GLY A 53 41.812 35.604 17.463 1.00 0.00 N ATOM 841 CA GLY A 53 40.701 34.931 16.821 1.00 0.00 C ATOM 842 C GLY A 53 39.388 34.925 17.606 1.00 0.00 C ATOM 843 O GLY A 53 38.328 34.819 16.992 1.00 0.00 O ATOM 0 H GLY A 53 41.908 36.574 17.162 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.523 35.403 15.855 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.990 33.899 16.624 1.00 0.00 H new ATOM 847 N ARG A 54 39.415 35.104 18.924 1.00 0.00 N ATOM 848 CA ARG A 54 38.239 35.446 19.697 1.00 0.00 C ATOM 849 C ARG A 54 37.977 36.953 19.652 1.00 0.00 C ATOM 850 O ARG A 54 38.904 37.737 19.459 1.00 0.00 O ATOM 851 CB ARG A 54 38.323 34.950 21.138 1.00 0.00 C ATOM 852 CG ARG A 54 38.622 33.463 21.305 1.00 0.00 C ATOM 853 CD ARG A 54 37.941 32.868 22.534 1.00 0.00 C ATOM 854 NE ARG A 54 36.521 32.631 22.273 1.00 0.00 N ATOM 855 CZ ARG A 54 35.529 32.416 23.148 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.719 32.377 24.474 1.00 0.00 N ATOM 857 NH2 ARG A 54 34.284 32.258 22.675 1.00 0.00 N ATOM 0 H ARG A 54 40.263 35.014 19.484 1.00 0.00 H new ATOM 0 HA ARG A 54 37.396 34.933 19.235 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.096 35.518 21.655 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.379 35.171 21.635 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.293 32.927 20.415 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.699 33.318 21.384 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.427 31.932 22.808 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.052 33.545 23.381 1.00 0.00 H new ATOM 0 HE ARG A 54 36.249 32.629 21.290 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.653 32.515 24.860 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.929 32.210 25.098 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.110 32.303 21.671 1.00 0.00 H new ATOM 0 HH22 ARG A 54 33.511 32.093 23.319 1.00 0.00 H new ATOM 871 N THR A 55 36.720 37.355 19.814 1.00 0.00 N ATOM 872 CA THR A 55 36.301 38.741 19.763 1.00 0.00 C ATOM 873 C THR A 55 36.426 39.472 21.101 1.00 0.00 C ATOM 874 O THR A 55 36.484 38.842 22.154 1.00 0.00 O ATOM 875 CB THR A 55 34.908 38.929 19.168 1.00 0.00 C ATOM 876 OG1 THR A 55 33.909 38.276 19.919 1.00 0.00 O ATOM 877 CG2 THR A 55 34.817 38.438 17.726 1.00 0.00 C ATOM 0 H THR A 55 35.952 36.707 19.988 1.00 0.00 H new ATOM 0 HA THR A 55 37.012 39.208 19.081 1.00 0.00 H new ATOM 0 HB THR A 55 34.737 40.005 19.195 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.993 37.307 19.802 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.806 38.595 17.351 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.523 38.992 17.108 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.057 37.375 17.688 1.00 0.00 H new ATOM 885 N LEU A 56 36.418 40.802 21.096 1.00 0.00 N ATOM 886 CA LEU A 56 36.423 41.609 22.299 1.00 0.00 C ATOM 887 C LEU A 56 35.256 41.276 23.233 1.00 0.00 C ATOM 888 O LEU A 56 35.449 41.160 24.440 1.00 0.00 O ATOM 889 CB LEU A 56 36.434 43.091 21.939 1.00 0.00 C ATOM 890 CG LEU A 56 37.673 43.597 21.206 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.527 45.087 20.913 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.961 43.419 22.007 1.00 0.00 C ATOM 0 H LEU A 56 36.408 41.353 20.238 1.00 0.00 H new ATOM 0 HA LEU A 56 37.334 41.372 22.848 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.561 43.300 21.321 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.320 43.667 22.857 1.00 0.00 H new ATOM 0 HG LEU A 56 37.745 43.004 20.294 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.414 45.444 20.390 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.648 45.251 20.290 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.415 45.633 21.850 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.804 43.799 21.430 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.886 43.970 22.944 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.114 42.361 22.220 1.00 0.00 H new ATOM 904 N SER A 57 34.070 41.026 22.687 1.00 0.00 N ATOM 905 CA SER A 57 32.935 40.543 23.445 1.00 0.00 C ATOM 906 C SER A 57 33.108 39.132 24.012 1.00 0.00 C ATOM 907 O SER A 57 32.605 38.859 25.099 1.00 0.00 O ATOM 908 CB SER A 57 31.652 40.632 22.625 1.00 0.00 C ATOM 909 OG SER A 57 31.772 39.961 21.392 1.00 0.00 O ATOM 0 H SER A 57 33.874 41.156 21.695 1.00 0.00 H new ATOM 0 HA SER A 57 32.865 41.205 24.308 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.827 40.203 23.193 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.406 41.679 22.447 1.00 0.00 H new ATOM 0 HG SER A 57 32.196 40.554 20.737 1.00 0.00 H new ATOM 915 N ASP A 58 33.883 38.256 23.377 1.00 0.00 N ATOM 916 CA ASP A 58 34.232 36.958 23.918 1.00 0.00 C ATOM 917 C ASP A 58 35.157 37.035 25.135 1.00 0.00 C ATOM 918 O ASP A 58 35.287 36.060 25.871 1.00 0.00 O ATOM 919 CB ASP A 58 34.859 36.058 22.857 1.00 0.00 C ATOM 920 CG ASP A 58 33.967 35.762 21.650 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.475 35.732 20.509 1.00 0.00 O ATOM 922 OD2 ASP A 58 32.748 35.542 21.828 1.00 0.00 O ATOM 0 H ASP A 58 34.289 38.437 22.459 1.00 0.00 H new ATOM 0 HA ASP A 58 33.289 36.524 24.251 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.779 36.524 22.504 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.139 35.113 23.323 1.00 0.00 H new ATOM 927 N TYR A 59 35.768 38.189 25.389 1.00 0.00 N ATOM 928 CA TYR A 59 36.535 38.504 26.576 1.00 0.00 C ATOM 929 C TYR A 59 35.834 39.481 27.521 1.00 0.00 C ATOM 930 O TYR A 59 36.465 39.980 28.450 1.00 0.00 O ATOM 931 CB TYR A 59 37.931 38.973 26.173 1.00 0.00 C ATOM 932 CG TYR A 59 38.764 37.909 25.498 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.184 36.796 26.235 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.145 38.052 24.159 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.956 35.800 25.627 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.958 37.086 23.554 1.00 0.00 C ATOM 937 CZ TYR A 59 40.341 35.940 24.278 1.00 0.00 C ATOM 938 OH TYR A 59 41.069 34.949 23.686 1.00 0.00 O ATOM 0 H TYR A 59 35.735 38.968 24.731 1.00 0.00 H new ATOM 0 HA TYR A 59 36.628 37.589 27.161 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.837 39.827 25.502 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.457 39.322 27.062 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.911 36.706 27.276 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.812 38.908 23.592 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.256 34.928 26.189 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.291 37.219 22.535 1.00 0.00 H new ATOM 0 HH TYR A 59 41.460 35.284 22.852 1.00 0.00 H new ATOM 948 N ASN A 60 34.543 39.739 27.329 1.00 0.00 N ATOM 949 CA ASN A 60 33.735 40.610 28.158 1.00 0.00 C ATOM 950 C ASN A 60 34.262 42.042 28.269 1.00 0.00 C ATOM 951 O ASN A 60 34.114 42.698 29.297 1.00 0.00 O ATOM 952 CB ASN A 60 33.480 39.925 29.498 1.00 0.00 C ATOM 953 CG ASN A 60 32.312 40.525 30.283 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.290 40.927 29.733 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.387 40.520 31.612 1.00 0.00 N ATOM 0 H ASN A 60 34.016 39.327 26.559 1.00 0.00 H new ATOM 0 HA ASN A 60 32.775 40.759 27.664 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.284 38.867 29.324 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.383 39.986 30.105 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.598 40.849 32.169 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.233 40.187 32.074 1.00 0.00 H new ATOM 962 N ILE A 61 34.909 42.543 27.221 1.00 0.00 N ATOM 963 CA ILE A 61 35.461 43.883 27.166 1.00 0.00 C ATOM 964 C ILE A 61 34.325 44.864 26.869 1.00 0.00 C ATOM 965 O ILE A 61 33.730 44.828 25.795 1.00 0.00 O ATOM 966 CB ILE A 61 36.597 43.930 26.149 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.760 43.064 26.627 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.092 45.349 25.887 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.839 42.793 25.584 1.00 0.00 C ATOM 0 H ILE A 61 35.065 42.010 26.366 1.00 0.00 H new ATOM 0 HA ILE A 61 35.900 44.175 28.120 1.00 0.00 H new ATOM 0 HB ILE A 61 36.200 43.544 25.210 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.222 43.547 27.488 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.363 42.109 26.973 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.900 45.323 25.156 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.272 45.955 25.501 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.458 45.784 26.817 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.619 42.170 26.021 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.399 42.277 24.731 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.271 43.738 25.254 1.00 0.00 H new ATOM 981 N GLN A 62 34.003 45.725 27.830 1.00 0.00 N ATOM 982 CA GLN A 62 32.981 46.745 27.711 1.00 0.00 C ATOM 983 C GLN A 62 33.519 48.051 27.124 1.00 0.00 C ATOM 984 O GLN A 62 34.726 48.284 27.067 1.00 0.00 O ATOM 985 CB GLN A 62 32.335 46.996 29.071 1.00 0.00 C ATOM 986 CG GLN A 62 31.374 45.893 29.501 1.00 0.00 C ATOM 987 CD GLN A 62 30.597 46.232 30.775 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.900 47.157 31.526 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.553 45.474 31.099 1.00 0.00 N ATOM 0 H GLN A 62 34.464 45.727 28.740 1.00 0.00 H new ATOM 0 HA GLN A 62 32.231 46.373 27.013 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.118 47.098 29.823 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.797 47.944 29.040 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.668 45.700 28.693 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.936 44.972 29.660 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.278 44.699 30.495 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.027 45.667 31.951 1.00 0.00 H new ATOM 998 N LYS A 63 32.601 48.950 26.783 1.00 0.00 N ATOM 999 CA LYS A 63 32.826 50.366 26.574 1.00 0.00 C ATOM 1000 C LYS A 63 33.764 50.946 27.635 1.00 0.00 C ATOM 1001 O LYS A 63 33.528 50.761 28.827 1.00 0.00 O ATOM 1002 CB LYS A 63 31.449 51.024 26.595 1.00 0.00 C ATOM 1003 CG LYS A 63 31.419 52.549 26.562 1.00 0.00 C ATOM 1004 CD LYS A 63 29.974 53.021 26.417 1.00 0.00 C ATOM 1005 CE LYS A 63 29.783 54.535 26.447 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.107 55.128 27.754 1.00 0.00 N ATOM 0 H LYS A 63 31.626 48.689 26.638 1.00 0.00 H new ATOM 0 HA LYS A 63 33.323 50.553 25.622 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.882 50.654 25.741 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.927 50.693 27.493 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.856 52.953 27.475 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.020 52.918 25.731 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.575 52.638 25.477 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.381 52.579 27.218 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.411 54.990 25.681 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.750 54.771 26.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.359 55.797 28.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.177 54.376 28.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 31.015 55.631 27.691 1.00 0.00 H new ATOM 1020 N GLU A 64 34.815 51.640 27.208 1.00 0.00 N ATOM 1021 CA GLU A 64 35.802 52.302 28.037 1.00 0.00 C ATOM 1022 C GLU A 64 36.634 51.390 28.942 1.00 0.00 C ATOM 1023 O GLU A 64 37.130 51.813 29.984 1.00 0.00 O ATOM 1024 CB GLU A 64 35.184 53.511 28.731 1.00 0.00 C ATOM 1025 CG GLU A 64 34.906 54.640 27.741 1.00 0.00 C ATOM 1026 CD GLU A 64 33.847 55.602 28.286 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.052 56.232 29.345 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.763 55.711 27.673 1.00 0.00 O ATOM 0 H GLU A 64 35.007 51.759 26.213 1.00 0.00 H new ATOM 0 HA GLU A 64 36.574 52.672 27.362 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.255 53.217 29.220 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.856 53.867 29.512 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.828 55.186 27.538 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.568 54.222 26.793 1.00 0.00 H new ATOM 1035 N SER A 65 36.835 50.137 28.544 1.00 0.00 N ATOM 1036 CA SER A 65 37.785 49.242 29.172 1.00 0.00 C ATOM 1037 C SER A 65 39.237 49.693 28.995 1.00 0.00 C ATOM 1038 O SER A 65 39.570 50.276 27.965 1.00 0.00 O ATOM 1039 CB SER A 65 37.681 47.831 28.599 1.00 0.00 C ATOM 1040 OG SER A 65 36.409 47.275 28.847 1.00 0.00 O ATOM 0 H SER A 65 36.332 49.714 27.764 1.00 0.00 H new ATOM 0 HA SER A 65 37.528 49.256 30.231 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.867 47.857 27.525 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.450 47.198 29.041 1.00 0.00 H new ATOM 0 HG SER A 65 35.738 47.736 28.301 1.00 0.00 H new ATOM 1046 N THR A 66 40.109 49.361 29.942 1.00 0.00 N ATOM 1047 CA THR A 66 41.539 49.579 29.858 1.00 0.00 C ATOM 1048 C THR A 66 42.303 48.255 29.784 1.00 0.00 C ATOM 1049 O THR A 66 42.184 47.410 30.669 1.00 0.00 O ATOM 1050 CB THR A 66 42.078 50.432 31.002 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.469 51.703 30.980 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.578 50.695 30.897 1.00 0.00 C ATOM 0 H THR A 66 39.824 48.918 30.816 1.00 0.00 H new ATOM 0 HA THR A 66 41.702 50.134 28.934 1.00 0.00 H new ATOM 0 HB THR A 66 41.863 49.871 31.911 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.818 52.246 31.718 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.900 51.307 31.740 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.115 49.747 30.911 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.791 51.219 29.966 1.00 0.00 H new ATOM 1060 N LEU A 67 43.125 48.111 28.748 1.00 0.00 N ATOM 1061 CA LEU A 67 43.997 46.986 28.478 1.00 0.00 C ATOM 1062 C LEU A 67 45.461 47.354 28.726 1.00 0.00 C ATOM 1063 O LEU A 67 45.829 48.526 28.677 1.00 0.00 O ATOM 1064 CB LEU A 67 43.816 46.519 27.037 1.00 0.00 C ATOM 1065 CG LEU A 67 42.391 46.376 26.510 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.436 45.850 25.077 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.532 45.420 27.334 1.00 0.00 C ATOM 0 H LEU A 67 43.200 48.831 28.029 1.00 0.00 H new ATOM 0 HA LEU A 67 43.728 46.177 29.157 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.344 47.219 26.389 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.310 45.553 26.933 1.00 0.00 H new ATOM 0 HG LEU A 67 41.939 47.366 26.570 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.420 45.746 24.696 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.989 46.549 24.450 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.931 44.879 25.061 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.532 45.366 26.903 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.984 44.428 27.328 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.466 45.782 28.360 1.00 0.00 H new ATOM 1079 N HIS A 68 46.322 46.361 28.926 1.00 0.00 N ATOM 1080 CA HIS A 68 47.749 46.525 29.117 1.00 0.00 C ATOM 1081 C HIS A 68 48.536 45.850 27.992 1.00 0.00 C ATOM 1082 O HIS A 68 48.228 44.723 27.610 1.00 0.00 O ATOM 1083 CB HIS A 68 48.146 45.959 30.479 1.00 0.00 C ATOM 1084 CG HIS A 68 47.535 46.685 31.646 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.369 46.316 32.316 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.050 47.812 32.233 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.204 47.222 33.284 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.189 48.134 33.264 1.00 0.00 N ATOM 0 H HIS A 68 46.028 45.385 28.960 1.00 0.00 H new ATOM 0 HA HIS A 68 47.991 47.587 29.089 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.854 44.910 30.524 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.232 45.992 30.572 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.947 48.341 31.947 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.386 47.221 33.989 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.285 48.926 33.899 1.00 0.00 H new ATOM 1096 N LEU A 69 49.560 46.526 27.478 1.00 0.00 N ATOM 1097 CA LEU A 69 50.424 46.029 26.426 1.00 0.00 C ATOM 1098 C LEU A 69 51.749 45.502 26.980 1.00 0.00 C ATOM 1099 O LEU A 69 52.325 46.090 27.894 1.00 0.00 O ATOM 1100 CB LEU A 69 50.623 47.144 25.404 1.00 0.00 C ATOM 1101 CG LEU A 69 51.427 46.801 24.152 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.782 45.707 23.306 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.561 48.050 23.286 1.00 0.00 C ATOM 0 H LEU A 69 49.814 47.462 27.795 1.00 0.00 H new ATOM 0 HA LEU A 69 49.955 45.175 25.937 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.640 47.495 25.090 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.115 47.978 25.904 1.00 0.00 H new ATOM 0 HG LEU A 69 52.396 46.434 24.492 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.402 45.510 22.432 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.689 44.796 23.898 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.793 46.032 22.983 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.134 47.812 22.390 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.570 48.402 23.000 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.075 48.830 23.849 1.00 0.00 H new ATOM 1115 N VAL A 70 52.241 44.419 26.387 1.00 0.00 N ATOM 1116 CA VAL A 70 53.555 43.853 26.615 1.00 0.00 C ATOM 1117 C VAL A 70 54.198 43.482 25.277 1.00 0.00 C ATOM 1118 O VAL A 70 53.518 43.011 24.368 1.00 0.00 O ATOM 1119 CB VAL A 70 53.515 42.634 27.533 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.856 42.467 28.240 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.446 42.687 28.621 1.00 0.00 C ATOM 0 H VAL A 70 51.703 43.890 25.701 1.00 0.00 H new ATOM 0 HA VAL A 70 54.154 44.612 27.118 1.00 0.00 H new ATOM 0 HB VAL A 70 53.279 41.801 26.871 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.817 41.595 28.893 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.644 42.331 27.499 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.067 43.356 28.835 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.494 41.779 29.223 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.618 43.554 29.258 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.461 42.765 28.160 1.00 0.00 H new