USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 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 60 ASN : amide:sc= 0.183 K(o=0.38,f=-0.77) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.198 K(o=0.38,f=-0.77) USER MOD Set 2.1: A 22 THR OG1 : rot -72:sc= 1.22 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.67 K(o=2.9,f=-7.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 2.43 (180deg=2.21) USER MOD Single : A 2 GLN : amide:sc= 0.695 K(o=0.7,f=-0.12) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00282 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 1.49 (180deg=0.737) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= 1.21 (180deg=0.842) USER MOD Single : A 31 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.48) USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= 1.22 (180deg=1.15) USER MOD Single : A 40 GLN : amide:sc= -0.0366 K(o=-0.037,f=-1.8!) USER MOD Single : A 41 GLN : amide:sc= 0.756 K(o=0.76,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.7 K(o=1.7,f=-5.9!) USER MOD Single : A 55 THR OG1 : rot -80:sc= 1.25 USER MOD Single : A 57 SER OG : rot 46:sc= 0.907 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.63 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 74:sc= 1.36 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.763 51.730 20.014 1.00 0.00 N ATOM 2 CA MET A 1 33.095 52.117 21.393 1.00 0.00 C ATOM 3 C MET A 1 34.554 52.560 21.519 1.00 0.00 C ATOM 4 O MET A 1 35.440 51.988 20.889 1.00 0.00 O ATOM 5 CB MET A 1 32.777 51.025 22.411 1.00 0.00 C ATOM 6 CG MET A 1 33.575 49.735 22.240 1.00 0.00 C ATOM 7 SD MET A 1 33.129 48.433 23.415 1.00 0.00 S ATOM 8 CE MET A 1 34.387 47.202 22.997 1.00 0.00 C ATOM 0 H1 MET A 1 31.751 51.501 19.952 1.00 0.00 H new ATOM 0 H2 MET A 1 32.980 52.518 19.371 1.00 0.00 H new ATOM 0 H3 MET A 1 33.324 50.897 19.743 1.00 0.00 H new ATOM 0 HA MET A 1 32.454 52.967 21.626 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.958 51.417 23.412 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.715 50.789 22.349 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.429 49.361 21.227 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.636 49.959 22.347 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.261 46.324 23.630 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.281 46.914 21.951 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.378 47.626 23.157 1.00 0.00 H new ATOM 20 N GLN A 2 34.821 53.524 22.396 1.00 0.00 N ATOM 21 CA GLN A 2 36.169 53.886 22.786 1.00 0.00 C ATOM 22 C GLN A 2 36.764 52.854 23.745 1.00 0.00 C ATOM 23 O GLN A 2 36.054 52.267 24.559 1.00 0.00 O ATOM 24 CB GLN A 2 36.178 55.273 23.423 1.00 0.00 C ATOM 25 CG GLN A 2 36.097 56.431 22.433 1.00 0.00 C ATOM 26 CD GLN A 2 37.361 56.559 21.580 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.420 56.997 22.022 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.330 56.160 20.312 1.00 0.00 N ATOM 0 H GLN A 2 34.098 54.077 22.856 1.00 0.00 H new ATOM 0 HA GLN A 2 36.788 53.904 21.889 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.339 55.345 24.115 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.088 55.381 24.013 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.235 56.289 21.781 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.934 57.361 22.978 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.466 55.791 19.914 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.170 56.223 19.737 1.00 0.00 H new ATOM 37 N ILE A 3 38.082 52.685 23.682 1.00 0.00 N ATOM 38 CA ILE A 3 38.910 51.971 24.634 1.00 0.00 C ATOM 39 C ILE A 3 40.208 52.737 24.896 1.00 0.00 C ATOM 40 O ILE A 3 40.544 53.677 24.179 1.00 0.00 O ATOM 41 CB ILE A 3 39.200 50.544 24.180 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.913 50.492 22.832 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.938 49.686 24.199 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.579 49.153 22.533 1.00 0.00 C ATOM 0 H ILE A 3 38.630 53.070 22.913 1.00 0.00 H new ATOM 0 HA ILE A 3 38.352 51.902 25.568 1.00 0.00 H new ATOM 0 HB ILE A 3 39.894 50.116 24.904 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.193 50.712 22.043 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.669 51.277 22.802 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.180 48.675 23.870 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.537 49.652 25.212 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.195 50.117 23.529 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.064 49.197 21.558 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.324 48.938 23.299 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.826 48.365 22.528 1.00 0.00 H new ATOM 56 N PHE A 4 40.976 52.293 25.887 1.00 0.00 N ATOM 57 CA PHE A 4 42.308 52.770 26.199 1.00 0.00 C ATOM 58 C PHE A 4 43.289 51.595 26.229 1.00 0.00 C ATOM 59 O PHE A 4 42.911 50.488 26.608 1.00 0.00 O ATOM 60 CB PHE A 4 42.316 53.493 27.542 1.00 0.00 C ATOM 61 CG PHE A 4 41.273 54.570 27.727 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.543 55.886 27.334 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.034 54.256 28.299 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.567 56.879 27.483 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.060 55.251 28.453 1.00 0.00 C ATOM 66 CZ PHE A 4 39.321 56.560 28.035 1.00 0.00 C ATOM 0 H PHE A 4 40.666 51.556 26.521 1.00 0.00 H new ATOM 0 HA PHE A 4 42.617 53.473 25.426 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.186 52.752 28.331 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.300 53.941 27.684 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.506 56.136 26.915 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.829 53.246 28.622 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.776 57.892 27.172 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.106 55.007 28.895 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.563 57.323 28.138 1.00 0.00 H new ATOM 76 N VAL A 5 44.555 51.825 25.895 1.00 0.00 N ATOM 77 CA VAL A 5 45.611 50.841 26.024 1.00 0.00 C ATOM 78 C VAL A 5 46.852 51.477 26.652 1.00 0.00 C ATOM 79 O VAL A 5 47.354 52.476 26.143 1.00 0.00 O ATOM 80 CB VAL A 5 45.958 50.172 24.697 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.908 48.996 24.912 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.740 49.642 23.946 1.00 0.00 C ATOM 0 H VAL A 5 44.876 52.718 25.521 1.00 0.00 H new ATOM 0 HA VAL A 5 45.239 50.054 26.681 1.00 0.00 H new ATOM 0 HB VAL A 5 46.424 50.956 24.099 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.140 48.536 23.952 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.828 49.352 25.376 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.435 48.260 25.562 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.061 49.180 23.013 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.228 48.902 24.560 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.060 50.466 23.728 1.00 0.00 H new ATOM 92 N LYS A 6 47.370 50.893 27.729 1.00 0.00 N ATOM 93 CA LYS A 6 48.643 51.273 28.308 1.00 0.00 C ATOM 94 C LYS A 6 49.784 50.625 27.520 1.00 0.00 C ATOM 95 O LYS A 6 49.894 49.402 27.479 1.00 0.00 O ATOM 96 CB LYS A 6 48.676 50.946 29.797 1.00 0.00 C ATOM 97 CG LYS A 6 49.816 51.699 30.476 1.00 0.00 C ATOM 98 CD LYS A 6 49.889 51.499 31.988 1.00 0.00 C ATOM 99 CE LYS A 6 50.315 50.079 32.350 1.00 0.00 C ATOM 100 NZ LYS A 6 50.466 49.908 33.804 1.00 0.00 N ATOM 0 H LYS A 6 46.906 50.133 28.227 1.00 0.00 H new ATOM 0 HA LYS A 6 48.776 52.352 28.233 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.726 51.217 30.258 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.804 49.873 29.938 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.760 51.381 30.033 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.708 52.763 30.267 1.00 0.00 H new ATOM 0 HD2 LYS A 6 50.595 52.211 32.415 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.916 51.711 32.430 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.576 49.371 31.976 1.00 0.00 H new ATOM 0 HE3 LYS A 6 51.258 49.846 31.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.756 48.931 34.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 51.190 50.566 34.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.559 50.106 34.273 1.00 0.00 H new ATOM 168 N LYS A 11 52.756 55.133 29.057 1.00 0.00 N ATOM 169 CA LYS A 11 51.865 56.102 28.451 1.00 0.00 C ATOM 170 C LYS A 11 50.585 55.427 27.951 1.00 0.00 C ATOM 171 O LYS A 11 50.650 54.287 27.494 1.00 0.00 O ATOM 172 CB LYS A 11 52.639 56.829 27.355 1.00 0.00 C ATOM 173 CG LYS A 11 51.887 57.968 26.673 1.00 0.00 C ATOM 174 CD LYS A 11 52.817 58.755 25.757 1.00 0.00 C ATOM 175 CE LYS A 11 52.056 59.859 25.027 1.00 0.00 C ATOM 176 NZ LYS A 11 52.935 60.622 24.128 1.00 0.00 N ATOM 0 HA LYS A 11 51.532 56.840 29.181 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.558 57.228 27.785 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.931 56.103 26.596 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.054 57.566 26.096 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.462 58.632 27.426 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.627 59.191 26.342 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.275 58.082 25.032 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.240 59.420 24.452 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.606 60.534 25.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.384 61.363 23.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.699 61.061 24.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.345 59.982 23.418 1.00 0.00 H new ATOM 190 N THR A 12 49.438 56.097 28.007 1.00 0.00 N ATOM 191 CA THR A 12 48.166 55.546 27.584 1.00 0.00 C ATOM 192 C THR A 12 47.714 56.130 26.244 1.00 0.00 C ATOM 193 O THR A 12 47.690 57.347 26.079 1.00 0.00 O ATOM 194 CB THR A 12 47.093 55.714 28.655 1.00 0.00 C ATOM 195 OG1 THR A 12 47.518 55.123 29.862 1.00 0.00 O ATOM 196 CG2 THR A 12 45.777 55.027 28.305 1.00 0.00 C ATOM 0 H THR A 12 49.371 57.054 28.354 1.00 0.00 H new ATOM 0 HA THR A 12 48.315 54.476 27.439 1.00 0.00 H new ATOM 0 HB THR A 12 46.937 56.790 28.738 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.824 55.237 30.544 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.058 55.186 29.109 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.383 55.445 27.379 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.947 53.958 28.177 1.00 0.00 H new ATOM 204 N ILE A 13 47.334 55.267 25.304 1.00 0.00 N ATOM 205 CA ILE A 13 46.771 55.609 24.014 1.00 0.00 C ATOM 206 C ILE A 13 45.266 55.336 23.954 1.00 0.00 C ATOM 207 O ILE A 13 44.764 54.430 24.616 1.00 0.00 O ATOM 208 CB ILE A 13 47.506 54.914 22.872 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.526 53.394 23.004 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.915 55.481 22.731 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.980 52.638 21.759 1.00 0.00 C ATOM 0 H ILE A 13 47.418 54.259 25.436 1.00 0.00 H new ATOM 0 HA ILE A 13 46.910 56.683 23.887 1.00 0.00 H new ATOM 0 HB ILE A 13 46.947 55.121 21.960 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.183 53.126 23.831 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.525 53.056 23.270 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.430 54.977 21.913 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.858 56.549 22.521 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.465 55.322 23.658 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.959 51.566 21.956 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.311 52.868 20.930 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.995 52.939 21.500 1.00 0.00 H new ATOM 223 N THR A 14 44.549 56.090 23.127 1.00 0.00 N ATOM 224 CA THR A 14 43.129 55.960 22.868 1.00 0.00 C ATOM 225 C THR A 14 42.861 55.244 21.543 1.00 0.00 C ATOM 226 O THR A 14 43.567 55.503 20.571 1.00 0.00 O ATOM 227 CB THR A 14 42.455 57.329 22.857 1.00 0.00 C ATOM 228 OG1 THR A 14 43.164 58.286 22.102 1.00 0.00 O ATOM 229 CG2 THR A 14 42.370 57.925 24.260 1.00 0.00 C ATOM 0 H THR A 14 44.972 56.849 22.592 1.00 0.00 H new ATOM 0 HA THR A 14 42.708 55.358 23.674 1.00 0.00 H new ATOM 0 HB THR A 14 41.472 57.139 22.425 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.687 59.142 22.128 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.884 58.900 24.212 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.791 57.262 24.903 1.00 0.00 H new ATOM 0 HG23 THR A 14 43.374 58.040 24.668 1.00 0.00 H new ATOM 237 N LEU A 15 41.863 54.367 21.468 1.00 0.00 N ATOM 238 CA LEU A 15 41.446 53.704 20.250 1.00 0.00 C ATOM 239 C LEU A 15 39.931 53.508 20.161 1.00 0.00 C ATOM 240 O LEU A 15 39.240 53.488 21.177 1.00 0.00 O ATOM 241 CB LEU A 15 42.155 52.361 20.108 1.00 0.00 C ATOM 242 CG LEU A 15 43.640 52.398 19.758 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.195 50.977 19.709 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.904 53.037 18.397 1.00 0.00 C ATOM 0 H LEU A 15 41.310 54.095 22.281 1.00 0.00 H new ATOM 0 HA LEU A 15 41.729 54.361 19.427 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.041 51.816 21.045 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.640 51.785 19.340 1.00 0.00 H new ATOM 0 HG LEU A 15 44.125 52.995 20.530 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.255 51.009 19.459 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.066 50.502 20.682 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.661 50.404 18.952 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.976 53.038 18.197 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.391 52.468 17.622 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.534 54.062 18.399 1.00 0.00 H new ATOM 256 N GLU A 16 39.427 53.319 18.945 1.00 0.00 N ATOM 257 CA GLU A 16 38.043 53.054 18.608 1.00 0.00 C ATOM 258 C GLU A 16 37.877 51.644 18.038 1.00 0.00 C ATOM 259 O GLU A 16 38.529 51.284 17.060 1.00 0.00 O ATOM 260 CB GLU A 16 37.585 54.113 17.609 1.00 0.00 C ATOM 261 CG GLU A 16 36.145 53.981 17.122 1.00 0.00 C ATOM 262 CD GLU A 16 35.104 54.113 18.235 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.219 53.233 18.315 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.114 55.092 19.011 1.00 0.00 O ATOM 0 H GLU A 16 40.021 53.350 18.116 1.00 0.00 H new ATOM 0 HA GLU A 16 37.426 53.105 19.505 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.706 55.095 18.066 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.247 54.081 16.743 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.955 54.744 16.367 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.023 53.013 16.635 1.00 0.00 H new ATOM 271 N VAL A 17 37.004 50.841 18.638 1.00 0.00 N ATOM 272 CA VAL A 17 36.781 49.444 18.324 1.00 0.00 C ATOM 273 C VAL A 17 35.297 49.085 18.423 1.00 0.00 C ATOM 274 O VAL A 17 34.526 49.795 19.065 1.00 0.00 O ATOM 275 CB VAL A 17 37.592 48.524 19.231 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.098 48.732 19.098 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.201 48.648 20.701 1.00 0.00 C ATOM 0 H VAL A 17 36.405 51.170 19.395 1.00 0.00 H new ATOM 0 HA VAL A 17 37.114 49.296 17.297 1.00 0.00 H new ATOM 0 HB VAL A 17 37.348 47.519 18.886 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.620 48.049 19.768 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.403 48.536 18.070 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.348 49.760 19.361 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.811 47.970 21.298 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.364 49.673 21.036 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.149 48.390 20.821 1.00 0.00 H new ATOM 287 N GLU A 18 34.892 47.947 17.865 1.00 0.00 N ATOM 288 CA GLU A 18 33.576 47.368 18.053 1.00 0.00 C ATOM 289 C GLU A 18 33.657 46.051 18.827 1.00 0.00 C ATOM 290 O GLU A 18 34.636 45.328 18.663 1.00 0.00 O ATOM 291 CB GLU A 18 32.893 47.177 16.703 1.00 0.00 C ATOM 292 CG GLU A 18 32.480 48.483 16.029 1.00 0.00 C ATOM 293 CD GLU A 18 31.409 49.235 16.824 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.697 50.318 17.376 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.261 48.747 16.901 1.00 0.00 O ATOM 0 H GLU A 18 35.491 47.391 17.254 1.00 0.00 H new ATOM 0 HA GLU A 18 32.976 48.055 18.649 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.566 46.634 16.040 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.009 46.554 16.839 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.356 49.121 15.911 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.104 48.270 15.029 1.00 0.00 H new ATOM 302 N PRO A 19 32.674 45.681 19.644 1.00 0.00 N ATOM 303 CA PRO A 19 32.723 44.482 20.457 1.00 0.00 C ATOM 304 C PRO A 19 33.013 43.170 19.724 1.00 0.00 C ATOM 305 O PRO A 19 33.536 42.233 20.322 1.00 0.00 O ATOM 306 CB PRO A 19 31.366 44.399 21.149 1.00 0.00 C ATOM 307 CG PRO A 19 30.959 45.864 21.289 1.00 0.00 C ATOM 308 CD PRO A 19 31.524 46.480 20.014 1.00 0.00 C ATOM 0 HA PRO A 19 33.571 44.580 21.135 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.645 43.835 20.557 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.437 43.906 22.118 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.877 45.981 21.353 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.383 46.320 22.184 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.778 46.478 19.219 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.811 47.519 20.179 1.00 0.00 H new ATOM 316 N SER A 20 32.662 43.058 18.446 1.00 0.00 N ATOM 317 CA SER A 20 32.917 41.893 17.624 1.00 0.00 C ATOM 318 C SER A 20 34.296 41.861 16.964 1.00 0.00 C ATOM 319 O SER A 20 34.604 40.884 16.286 1.00 0.00 O ATOM 320 CB SER A 20 31.812 41.718 16.585 1.00 0.00 C ATOM 321 OG SER A 20 31.680 42.865 15.777 1.00 0.00 O ATOM 0 H SER A 20 32.177 43.802 17.944 1.00 0.00 H new ATOM 0 HA SER A 20 32.914 41.048 18.312 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.033 40.853 15.959 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.867 41.514 17.088 1.00 0.00 H new ATOM 0 HG SER A 20 30.966 42.722 15.121 1.00 0.00 H new ATOM 327 N ASP A 21 35.140 42.875 17.133 1.00 0.00 N ATOM 328 CA ASP A 21 36.482 42.899 16.584 1.00 0.00 C ATOM 329 C ASP A 21 37.396 41.868 17.249 1.00 0.00 C ATOM 330 O ASP A 21 37.275 41.587 18.439 1.00 0.00 O ATOM 331 CB ASP A 21 37.083 44.296 16.697 1.00 0.00 C ATOM 332 CG ASP A 21 36.424 45.365 15.823 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.743 45.029 14.830 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.684 46.564 16.059 1.00 0.00 O ATOM 0 H ASP A 21 34.902 43.713 17.664 1.00 0.00 H new ATOM 0 HA ASP A 21 36.404 42.631 15.530 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.025 44.615 17.738 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.140 44.240 16.439 1.00 0.00 H new ATOM 339 N THR A 22 38.340 41.314 16.494 1.00 0.00 N ATOM 340 CA THR A 22 39.330 40.377 16.986 1.00 0.00 C ATOM 341 C THR A 22 40.520 41.077 17.646 1.00 0.00 C ATOM 342 O THR A 22 40.822 42.231 17.349 1.00 0.00 O ATOM 343 CB THR A 22 39.839 39.392 15.938 1.00 0.00 C ATOM 344 OG1 THR A 22 40.708 40.009 15.016 1.00 0.00 O ATOM 345 CG2 THR A 22 38.735 38.704 15.141 1.00 0.00 C ATOM 0 H THR A 22 38.435 41.513 15.498 1.00 0.00 H new ATOM 0 HA THR A 22 38.790 39.799 17.736 1.00 0.00 H new ATOM 0 HB THR A 22 40.365 38.637 16.523 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.193 40.592 14.420 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.180 38.021 14.418 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.091 38.145 15.820 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.144 39.454 14.615 1.00 0.00 H new ATOM 353 N ILE A 23 41.276 40.347 18.461 1.00 0.00 N ATOM 354 CA ILE A 23 42.516 40.830 19.035 1.00 0.00 C ATOM 355 C ILE A 23 43.519 41.249 17.957 1.00 0.00 C ATOM 356 O ILE A 23 44.227 42.236 18.144 1.00 0.00 O ATOM 357 CB ILE A 23 43.062 39.794 20.013 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.465 39.942 21.411 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.577 39.844 20.183 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.956 39.762 21.545 1.00 0.00 C ATOM 0 H ILE A 23 41.038 39.395 18.741 1.00 0.00 H new ATOM 0 HA ILE A 23 42.322 41.741 19.601 1.00 0.00 H new ATOM 0 HB ILE A 23 42.775 38.845 19.560 1.00 0.00 H new ATOM 0 HG12 ILE A 23 42.951 39.218 22.065 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.722 40.933 21.785 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.889 39.078 20.893 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.057 39.664 19.221 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.869 40.826 20.556 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.665 39.893 22.587 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.445 40.503 20.930 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.678 38.761 21.214 1.00 0.00 H new ATOM 372 N GLU A 24 43.545 40.600 16.797 1.00 0.00 N ATOM 373 CA GLU A 24 44.403 41.003 15.700 1.00 0.00 C ATOM 374 C GLU A 24 44.026 42.365 15.114 1.00 0.00 C ATOM 375 O GLU A 24 44.912 43.113 14.707 1.00 0.00 O ATOM 376 CB GLU A 24 44.427 39.953 14.592 1.00 0.00 C ATOM 377 CG GLU A 24 44.909 38.586 15.071 1.00 0.00 C ATOM 378 CD GLU A 24 45.497 37.734 13.945 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.850 37.558 12.890 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.630 37.232 14.106 1.00 0.00 O ATOM 0 H GLU A 24 42.971 39.781 16.596 1.00 0.00 H new ATOM 0 HA GLU A 24 45.401 41.095 16.127 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.425 39.852 14.174 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.075 40.298 13.787 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.662 38.723 15.847 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.075 38.052 15.527 1.00 0.00 H new ATOM 387 N ASN A 25 42.747 42.730 15.119 1.00 0.00 N ATOM 388 CA ASN A 25 42.300 44.040 14.690 1.00 0.00 C ATOM 389 C ASN A 25 42.759 45.130 15.660 1.00 0.00 C ATOM 390 O ASN A 25 43.243 46.179 15.239 1.00 0.00 O ATOM 391 CB ASN A 25 40.783 44.062 14.519 1.00 0.00 C ATOM 392 CG ASN A 25 40.231 43.009 13.555 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.511 42.100 13.962 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.547 43.084 12.266 1.00 0.00 N ATOM 0 H ASN A 25 41.991 42.117 15.424 1.00 0.00 H new ATOM 0 HA ASN A 25 42.756 44.249 13.722 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.319 43.919 15.495 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.485 45.049 14.166 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.192 42.386 11.612 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.145 43.839 11.931 1.00 0.00 H new ATOM 401 N VAL A 26 42.695 44.856 16.960 1.00 0.00 N ATOM 402 CA VAL A 26 43.211 45.746 17.980 1.00 0.00 C ATOM 403 C VAL A 26 44.725 45.921 17.842 1.00 0.00 C ATOM 404 O VAL A 26 45.204 47.052 17.842 1.00 0.00 O ATOM 405 CB VAL A 26 42.830 45.267 19.379 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.297 46.246 20.452 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.320 45.110 19.534 1.00 0.00 C ATOM 0 H VAL A 26 42.279 44.002 17.332 1.00 0.00 H new ATOM 0 HA VAL A 26 42.750 46.723 17.834 1.00 0.00 H new ATOM 0 HB VAL A 26 43.321 44.302 19.505 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.009 45.873 21.435 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.381 46.347 20.406 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.835 47.219 20.283 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.091 44.768 20.543 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.834 46.070 19.358 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.954 44.380 18.812 1.00 0.00 H new ATOM 417 N LYS A 27 45.480 44.846 17.635 1.00 0.00 N ATOM 418 CA LYS A 27 46.911 44.908 17.414 1.00 0.00 C ATOM 419 C LYS A 27 47.294 45.702 16.164 1.00 0.00 C ATOM 420 O LYS A 27 48.290 46.423 16.190 1.00 0.00 O ATOM 421 CB LYS A 27 47.496 43.499 17.367 1.00 0.00 C ATOM 422 CG LYS A 27 47.492 42.824 18.736 1.00 0.00 C ATOM 423 CD LYS A 27 48.023 41.397 18.646 1.00 0.00 C ATOM 424 CE LYS A 27 48.061 40.785 20.044 1.00 0.00 C ATOM 425 NZ LYS A 27 48.521 39.389 19.987 1.00 0.00 N ATOM 0 H LYS A 27 45.105 43.898 17.617 1.00 0.00 H new ATOM 0 HA LYS A 27 47.340 45.450 18.257 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.924 42.894 16.664 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.518 43.545 16.990 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.104 43.400 19.431 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.478 42.814 19.137 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.387 40.800 17.992 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.021 41.395 18.208 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.725 41.366 20.683 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.069 40.828 20.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.129 38.861 20.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.200 38.954 19.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.560 39.364 20.029 1.00 0.00 H new ATOM 439 N ALA A 28 46.492 45.645 15.105 1.00 0.00 N ATOM 440 CA ALA A 28 46.684 46.451 13.916 1.00 0.00 C ATOM 441 C ALA A 28 46.459 47.942 14.177 1.00 0.00 C ATOM 442 O ALA A 28 47.269 48.767 13.756 1.00 0.00 O ATOM 443 CB ALA A 28 45.773 45.929 12.808 1.00 0.00 C ATOM 0 H ALA A 28 45.681 45.028 15.053 1.00 0.00 H new ATOM 0 HA ALA A 28 47.724 46.361 13.601 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.911 46.530 11.910 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.022 44.890 12.591 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.734 45.993 13.131 1.00 0.00 H new ATOM 449 N LYS A 29 45.421 48.300 14.927 1.00 0.00 N ATOM 450 CA LYS A 29 45.149 49.662 15.339 1.00 0.00 C ATOM 451 C LYS A 29 46.174 50.216 16.330 1.00 0.00 C ATOM 452 O LYS A 29 46.466 51.409 16.283 1.00 0.00 O ATOM 453 CB LYS A 29 43.725 49.771 15.880 1.00 0.00 C ATOM 454 CG LYS A 29 42.696 49.793 14.754 1.00 0.00 C ATOM 455 CD LYS A 29 41.270 49.914 15.285 1.00 0.00 C ATOM 456 CE LYS A 29 40.319 50.139 14.111 1.00 0.00 C ATOM 457 NZ LYS A 29 38.910 50.097 14.527 1.00 0.00 N ATOM 0 H LYS A 29 44.732 47.630 15.270 1.00 0.00 H new ATOM 0 HA LYS A 29 45.241 50.288 14.452 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.522 48.930 16.543 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.631 50.678 16.477 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.907 50.629 14.087 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.786 48.882 14.162 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.992 49.010 15.827 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.200 50.742 15.990 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.533 51.104 13.651 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.495 49.378 13.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.336 50.661 13.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.576 49.112 14.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.819 50.489 15.486 1.00 0.00 H new ATOM 471 N ILE A 30 46.779 49.374 17.162 1.00 0.00 N ATOM 472 CA ILE A 30 47.931 49.722 17.971 1.00 0.00 C ATOM 473 C ILE A 30 49.148 49.995 17.084 1.00 0.00 C ATOM 474 O ILE A 30 49.765 51.048 17.235 1.00 0.00 O ATOM 475 CB ILE A 30 48.204 48.661 19.033 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.101 48.660 20.087 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.562 48.854 19.702 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.121 47.455 21.022 1.00 0.00 C ATOM 0 H ILE A 30 46.471 48.410 17.292 1.00 0.00 H new ATOM 0 HA ILE A 30 47.712 50.644 18.509 1.00 0.00 H new ATOM 0 HB ILE A 30 48.218 47.697 18.524 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.185 49.568 20.684 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.135 48.698 19.584 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.713 48.076 20.450 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.350 48.793 18.951 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.595 49.832 20.183 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.303 47.537 21.738 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.004 46.541 20.440 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.070 47.425 21.557 1.00 0.00 H new ATOM 490 N GLN A 31 49.480 49.128 16.132 1.00 0.00 N ATOM 491 CA GLN A 31 50.605 49.326 15.240 1.00 0.00 C ATOM 492 C GLN A 31 50.505 50.645 14.471 1.00 0.00 C ATOM 493 O GLN A 31 51.508 51.340 14.333 1.00 0.00 O ATOM 494 CB GLN A 31 50.736 48.146 14.282 1.00 0.00 C ATOM 495 CG GLN A 31 51.985 48.239 13.410 1.00 0.00 C ATOM 496 CD GLN A 31 52.140 47.057 12.449 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.194 46.355 12.096 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.351 46.788 11.971 1.00 0.00 N ATOM 0 H GLN A 31 48.968 48.263 15.961 1.00 0.00 H new ATOM 0 HA GLN A 31 51.504 49.383 15.853 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.764 47.219 14.854 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.854 48.100 13.644 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.950 49.164 12.835 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.865 48.295 14.051 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.148 47.359 12.252 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.483 46.011 11.323 1.00 0.00 H new ATOM 507 N ASP A 32 49.305 51.027 14.043 1.00 0.00 N ATOM 508 CA ASP A 32 49.022 52.277 13.369 1.00 0.00 C ATOM 509 C ASP A 32 49.409 53.530 14.157 1.00 0.00 C ATOM 510 O ASP A 32 49.667 54.556 13.533 1.00 0.00 O ATOM 511 CB ASP A 32 47.544 52.285 12.987 1.00 0.00 C ATOM 512 CG ASP A 32 47.061 53.572 12.315 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.378 53.790 11.126 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.327 54.344 12.969 1.00 0.00 O ATOM 0 H ASP A 32 48.475 50.447 14.164 1.00 0.00 H new ATOM 0 HA ASP A 32 49.653 52.324 12.482 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.352 51.448 12.316 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.950 52.116 13.885 1.00 0.00 H new ATOM 519 N LYS A 33 49.521 53.470 15.481 1.00 0.00 N ATOM 520 CA LYS A 33 49.943 54.582 16.311 1.00 0.00 C ATOM 521 C LYS A 33 51.126 54.360 17.257 1.00 0.00 C ATOM 522 O LYS A 33 51.592 55.333 17.846 1.00 0.00 O ATOM 523 CB LYS A 33 48.750 55.224 17.013 1.00 0.00 C ATOM 524 CG LYS A 33 48.030 54.357 18.042 1.00 0.00 C ATOM 525 CD LYS A 33 47.075 55.178 18.902 1.00 0.00 C ATOM 526 CE LYS A 33 46.116 56.044 18.090 1.00 0.00 C ATOM 527 NZ LYS A 33 45.303 56.918 18.950 1.00 0.00 N ATOM 0 H LYS A 33 49.315 52.625 16.014 1.00 0.00 H new ATOM 0 HA LYS A 33 50.370 55.281 15.591 1.00 0.00 H new ATOM 0 HB2 LYS A 33 49.092 56.132 17.509 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.028 55.527 16.255 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.475 53.571 17.531 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.764 53.865 18.681 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.497 54.504 19.534 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.656 55.818 19.566 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.684 56.653 17.387 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.460 55.404 17.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.954 57.725 18.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.495 56.381 19.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.884 57.267 19.739 1.00 0.00 H new ATOM 541 N GLU A 34 51.658 53.148 17.382 1.00 0.00 N ATOM 542 CA GLU A 34 52.817 52.836 18.196 1.00 0.00 C ATOM 543 C GLU A 34 53.976 52.175 17.445 1.00 0.00 C ATOM 544 O GLU A 34 55.039 51.991 18.032 1.00 0.00 O ATOM 545 CB GLU A 34 52.392 51.998 19.398 1.00 0.00 C ATOM 546 CG GLU A 34 51.838 52.830 20.551 1.00 0.00 C ATOM 547 CD GLU A 34 52.944 53.643 21.228 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.798 53.035 21.909 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.996 54.878 21.037 1.00 0.00 O ATOM 0 H GLU A 34 51.278 52.332 16.902 1.00 0.00 H new ATOM 0 HA GLU A 34 53.218 53.794 18.526 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.636 51.280 19.082 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.248 51.424 19.752 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.065 53.502 20.179 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.366 52.174 21.282 1.00 0.00 H new ATOM 556 N GLY A 35 53.823 51.816 16.173 1.00 0.00 N ATOM 557 CA GLY A 35 54.915 51.354 15.340 1.00 0.00 C ATOM 558 C GLY A 35 55.482 49.970 15.660 1.00 0.00 C ATOM 559 O GLY A 35 56.414 49.530 14.989 1.00 0.00 O ATOM 0 H GLY A 35 52.924 51.840 15.692 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.576 51.352 14.304 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.726 52.079 15.409 1.00 0.00 H new ATOM 563 N ILE A 36 54.937 49.265 16.648 1.00 0.00 N ATOM 564 CA ILE A 36 55.353 47.944 17.072 1.00 0.00 C ATOM 565 C ILE A 36 54.591 46.851 16.319 1.00 0.00 C ATOM 566 O ILE A 36 53.362 46.867 16.318 1.00 0.00 O ATOM 567 CB ILE A 36 55.257 47.781 18.586 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.916 48.231 19.157 1.00 0.00 C ATOM 569 CG2 ILE A 36 56.417 48.525 19.244 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.750 48.059 20.664 1.00 0.00 C ATOM 0 H ILE A 36 54.156 49.623 17.197 1.00 0.00 H new ATOM 0 HA ILE A 36 56.406 47.831 16.814 1.00 0.00 H new ATOM 0 HB ILE A 36 55.325 46.716 18.810 1.00 0.00 H new ATOM 0 HG12 ILE A 36 53.772 49.283 18.911 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.123 47.675 18.656 1.00 0.00 H new ATOM 0 HG21 ILE A 36 56.354 48.412 20.326 1.00 0.00 H new ATOM 0 HG22 ILE A 36 57.362 48.112 18.890 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.364 49.583 18.986 1.00 0.00 H new ATOM 0 HD11 ILE A 36 52.762 48.410 20.964 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.855 47.006 20.924 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.514 48.639 21.183 1.00 0.00 H new ATOM 582 N PRO A 37 55.261 45.897 15.680 1.00 0.00 N ATOM 583 CA PRO A 37 54.609 44.959 14.788 1.00 0.00 C ATOM 584 C PRO A 37 53.842 43.858 15.523 1.00 0.00 C ATOM 585 O PRO A 37 54.182 43.538 16.660 1.00 0.00 O ATOM 586 CB PRO A 37 55.722 44.439 13.882 1.00 0.00 C ATOM 587 CG PRO A 37 56.937 44.454 14.806 1.00 0.00 C ATOM 588 CD PRO A 37 56.698 45.721 15.621 1.00 0.00 C ATOM 0 HA PRO A 37 53.823 45.438 14.205 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.507 43.437 13.510 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.867 45.078 13.011 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.982 43.566 15.436 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.873 44.497 14.249 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.120 45.626 16.621 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.177 46.581 15.153 1.00 0.00 H new ATOM 596 N PRO A 38 52.806 43.260 14.941 1.00 0.00 N ATOM 597 CA PRO A 38 51.807 42.539 15.705 1.00 0.00 C ATOM 598 C PRO A 38 52.287 41.270 16.411 1.00 0.00 C ATOM 599 O PRO A 38 51.749 40.931 17.463 1.00 0.00 O ATOM 600 CB PRO A 38 50.668 42.231 14.737 1.00 0.00 C ATOM 601 CG PRO A 38 50.804 43.321 13.677 1.00 0.00 C ATOM 602 CD PRO A 38 52.322 43.450 13.589 1.00 0.00 C ATOM 0 HA PRO A 38 51.502 43.174 16.537 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.766 41.235 14.305 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.698 42.270 15.232 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.359 43.030 12.726 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.327 44.253 13.980 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.741 42.704 12.914 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.611 44.427 13.202 1.00 0.00 H new ATOM 610 N ASP A 39 53.316 40.590 15.913 1.00 0.00 N ATOM 611 CA ASP A 39 53.831 39.378 16.518 1.00 0.00 C ATOM 612 C ASP A 39 54.732 39.633 17.728 1.00 0.00 C ATOM 613 O ASP A 39 55.054 38.695 18.452 1.00 0.00 O ATOM 614 CB ASP A 39 54.498 38.487 15.476 1.00 0.00 C ATOM 615 CG ASP A 39 53.568 38.128 14.316 1.00 0.00 C ATOM 616 OD1 ASP A 39 53.742 38.714 13.226 1.00 0.00 O ATOM 617 OD2 ASP A 39 52.672 37.271 14.480 1.00 0.00 O ATOM 0 H ASP A 39 53.816 40.872 15.070 1.00 0.00 H new ATOM 0 HA ASP A 39 52.970 38.841 16.916 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.380 38.993 15.084 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.842 37.571 15.956 1.00 0.00 H new ATOM 622 N GLN A 40 55.080 40.889 17.997 1.00 0.00 N ATOM 623 CA GLN A 40 55.688 41.334 19.235 1.00 0.00 C ATOM 624 C GLN A 40 54.669 41.737 20.303 1.00 0.00 C ATOM 625 O GLN A 40 55.043 41.883 21.464 1.00 0.00 O ATOM 626 CB GLN A 40 56.641 42.492 18.959 1.00 0.00 C ATOM 627 CG GLN A 40 58.096 42.073 18.771 1.00 0.00 C ATOM 628 CD GLN A 40 58.314 41.197 17.537 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.303 41.666 16.400 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.520 39.893 17.711 1.00 0.00 N ATOM 0 H GLN A 40 54.938 41.648 17.330 1.00 0.00 H new ATOM 0 HA GLN A 40 56.236 40.482 19.637 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.307 43.017 18.064 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.582 43.201 19.785 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.717 42.965 18.690 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.429 41.532 19.657 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.530 39.499 18.652 1.00 0.00 H new ATOM 0 HE22 GLN A 40 58.668 39.288 16.903 1.00 0.00 H new ATOM 639 N GLN A 41 53.398 41.924 19.957 1.00 0.00 N ATOM 640 CA GLN A 41 52.387 42.440 20.856 1.00 0.00 C ATOM 641 C GLN A 41 51.696 41.317 21.633 1.00 0.00 C ATOM 642 O GLN A 41 51.126 40.417 21.018 1.00 0.00 O ATOM 643 CB GLN A 41 51.361 43.245 20.064 1.00 0.00 C ATOM 644 CG GLN A 41 51.878 44.540 19.445 1.00 0.00 C ATOM 645 CD GLN A 41 50.748 45.315 18.765 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.637 45.411 19.284 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.944 45.905 17.589 1.00 0.00 N ATOM 0 H GLN A 41 53.042 41.715 19.024 1.00 0.00 H new ATOM 0 HA GLN A 41 52.877 43.087 21.583 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.967 42.614 19.267 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.527 43.485 20.723 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.334 45.159 20.217 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.657 44.313 18.717 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.854 45.844 17.133 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.184 46.419 17.143 1.00 0.00 H new ATOM 656 N ARG A 42 51.652 41.396 22.959 1.00 0.00 N ATOM 657 CA ARG A 42 50.894 40.510 23.821 1.00 0.00 C ATOM 658 C ARG A 42 49.939 41.339 24.682 1.00 0.00 C ATOM 659 O ARG A 42 50.377 42.275 25.346 1.00 0.00 O ATOM 660 CB ARG A 42 51.870 39.661 24.631 1.00 0.00 C ATOM 661 CG ARG A 42 51.204 38.464 25.302 1.00 0.00 C ATOM 662 CD ARG A 42 52.234 37.509 25.898 1.00 0.00 C ATOM 663 NE ARG A 42 52.874 38.039 27.102 1.00 0.00 N ATOM 664 CZ ARG A 42 52.391 37.993 28.352 1.00 0.00 C ATOM 665 NH1 ARG A 42 51.238 37.384 28.662 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.082 38.573 29.342 1.00 0.00 N ATOM 0 H ARG A 42 52.165 42.108 23.478 1.00 0.00 H new ATOM 0 HA ARG A 42 50.274 39.822 23.246 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.666 39.307 23.975 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.339 40.284 25.393 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.533 38.813 26.087 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.592 37.932 24.574 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.749 36.563 26.137 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.998 37.295 25.151 1.00 0.00 H new ATOM 0 HE ARG A 42 53.781 38.490 26.978 1.00 0.00 H new ATOM 0 HH11 ARG A 42 50.689 36.930 27.932 1.00 0.00 H new ATOM 0 HH12 ARG A 42 50.910 37.374 29.628 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.965 39.043 29.141 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.725 38.545 30.297 1.00 0.00 H new ATOM 680 N LEU A 43 48.641 41.050 24.636 1.00 0.00 N ATOM 681 CA LEU A 43 47.590 41.898 25.163 1.00 0.00 C ATOM 682 C LEU A 43 46.873 41.259 26.355 1.00 0.00 C ATOM 683 O LEU A 43 46.526 40.081 26.317 1.00 0.00 O ATOM 684 CB LEU A 43 46.660 42.258 24.008 1.00 0.00 C ATOM 685 CG LEU A 43 45.602 43.317 24.302 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.185 44.690 24.617 1.00 0.00 C ATOM 687 CD2 LEU A 43 44.704 43.471 23.078 1.00 0.00 C ATOM 0 H LEU A 43 48.287 40.190 24.216 1.00 0.00 H new ATOM 0 HA LEU A 43 48.012 42.816 25.572 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.269 42.604 23.173 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.154 41.350 23.679 1.00 0.00 H new ATOM 0 HG LEU A 43 45.058 42.974 25.182 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.375 45.392 24.816 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.828 44.620 25.494 1.00 0.00 H new ATOM 0 HD13 LEU A 43 46.769 45.041 23.766 1.00 0.00 H new ATOM 0 HD21 LEU A 43 43.944 44.226 23.277 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.305 43.778 22.222 1.00 0.00 H new ATOM 0 HD23 LEU A 43 44.221 42.519 22.859 1.00 0.00 H new ATOM 699 N ILE A 44 46.660 42.046 27.406 1.00 0.00 N ATOM 700 CA ILE A 44 46.068 41.656 28.670 1.00 0.00 C ATOM 701 C ILE A 44 44.932 42.619 29.021 1.00 0.00 C ATOM 702 O ILE A 44 45.043 43.827 28.825 1.00 0.00 O ATOM 703 CB ILE A 44 47.140 41.598 29.755 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.252 40.616 29.398 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.561 41.252 31.124 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.384 40.496 30.413 1.00 0.00 C ATOM 0 H ILE A 44 46.914 43.034 27.391 1.00 0.00 H new ATOM 0 HA ILE A 44 45.640 40.657 28.591 1.00 0.00 H new ATOM 0 HB ILE A 44 47.565 42.600 29.813 1.00 0.00 H new ATOM 0 HG12 ILE A 44 47.809 39.630 29.258 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.679 40.912 28.440 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.363 41.223 31.861 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.831 42.008 31.412 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.075 40.277 31.078 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.117 39.772 30.057 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.864 41.466 30.539 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.981 40.164 31.370 1.00 0.00 H new ATOM 718 N PHE A 45 43.844 42.105 29.589 1.00 0.00 N ATOM 719 CA PHE A 45 42.798 42.878 30.227 1.00 0.00 C ATOM 720 C PHE A 45 42.491 42.299 31.610 1.00 0.00 C ATOM 721 O PHE A 45 42.286 41.093 31.725 1.00 0.00 O ATOM 722 CB PHE A 45 41.551 42.881 29.347 1.00 0.00 C ATOM 723 CG PHE A 45 40.338 43.502 29.997 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.250 44.890 30.153 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.303 42.689 30.476 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.135 45.463 30.776 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.177 43.261 31.082 1.00 0.00 C ATOM 728 CZ PHE A 45 38.092 44.650 31.233 1.00 0.00 C ATOM 0 H PHE A 45 43.666 41.101 29.615 1.00 0.00 H new ATOM 0 HA PHE A 45 43.132 43.907 30.355 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.771 43.419 28.425 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.314 41.854 29.068 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.047 45.523 29.791 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.373 41.616 30.378 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.080 46.534 30.904 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.374 42.630 31.433 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.225 45.092 31.700 1.00 0.00 H new ATOM 738 N ALA A 46 42.443 43.134 32.643 1.00 0.00 N ATOM 739 CA ALA A 46 42.017 42.796 33.986 1.00 0.00 C ATOM 740 C ALA A 46 42.578 41.471 34.507 1.00 0.00 C ATOM 741 O ALA A 46 41.834 40.593 34.936 1.00 0.00 O ATOM 742 CB ALA A 46 40.497 42.916 34.046 1.00 0.00 C ATOM 0 H ALA A 46 42.715 44.113 32.556 1.00 0.00 H new ATOM 0 HA ALA A 46 42.448 43.508 34.689 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.152 42.666 35.049 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.203 43.938 33.805 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.049 42.230 33.327 1.00 0.00 H new ATOM 748 N GLY A 47 43.894 41.293 34.420 1.00 0.00 N ATOM 749 CA GLY A 47 44.611 40.115 34.866 1.00 0.00 C ATOM 750 C GLY A 47 44.541 38.887 33.956 1.00 0.00 C ATOM 751 O GLY A 47 44.972 37.813 34.369 1.00 0.00 O ATOM 0 H GLY A 47 44.510 42.000 34.019 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.659 40.383 34.997 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.229 39.834 35.847 1.00 0.00 H new ATOM 755 N LYS A 48 43.999 38.993 32.746 1.00 0.00 N ATOM 756 CA LYS A 48 43.713 37.899 31.840 1.00 0.00 C ATOM 757 C LYS A 48 44.330 38.142 30.461 1.00 0.00 C ATOM 758 O LYS A 48 44.067 39.167 29.837 1.00 0.00 O ATOM 759 CB LYS A 48 42.195 37.740 31.810 1.00 0.00 C ATOM 760 CG LYS A 48 41.645 36.669 30.873 1.00 0.00 C ATOM 761 CD LYS A 48 40.158 36.430 31.122 1.00 0.00 C ATOM 762 CE LYS A 48 39.317 37.698 31.011 1.00 0.00 C ATOM 763 NZ LYS A 48 37.912 37.460 31.376 1.00 0.00 N ATOM 0 H LYS A 48 43.735 39.898 32.355 1.00 0.00 H new ATOM 0 HA LYS A 48 44.166 36.968 32.180 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.854 37.517 32.821 1.00 0.00 H new ATOM 0 HB3 LYS A 48 41.756 38.698 31.530 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.799 36.974 29.838 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.195 35.739 31.017 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.790 35.695 30.406 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.027 36.001 32.116 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.735 38.468 31.659 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.367 38.078 29.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.375 38.346 31.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.505 36.744 30.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.861 37.121 32.358 1.00 0.00 H new ATOM 777 N GLN A 49 45.142 37.202 29.986 1.00 0.00 N ATOM 778 CA GLN A 49 45.724 37.236 28.660 1.00 0.00 C ATOM 779 C GLN A 49 44.650 37.041 27.588 1.00 0.00 C ATOM 780 O GLN A 49 43.753 36.218 27.753 1.00 0.00 O ATOM 781 CB GLN A 49 46.828 36.189 28.531 1.00 0.00 C ATOM 782 CG GLN A 49 47.566 36.276 27.197 1.00 0.00 C ATOM 783 CD GLN A 49 48.600 35.159 27.037 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.768 35.311 27.391 1.00 0.00 O ATOM 785 NE2 GLN A 49 48.211 34.006 26.501 1.00 0.00 N ATOM 0 H GLN A 49 45.415 36.382 30.527 1.00 0.00 H new ATOM 0 HA GLN A 49 46.171 38.218 28.507 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.541 36.316 29.346 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.395 35.194 28.638 1.00 0.00 H new ATOM 0 HG2 GLN A 49 46.846 36.222 26.381 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.063 37.243 27.121 1.00 0.00 H new ATOM 0 HE21 GLN A 49 47.242 33.881 26.208 1.00 0.00 H new ATOM 0 HE22 GLN A 49 48.882 33.246 26.383 1.00 0.00 H new ATOM 794 N LEU A 50 44.775 37.747 26.467 1.00 0.00 N ATOM 795 CA LEU A 50 43.903 37.618 25.316 1.00 0.00 C ATOM 796 C LEU A 50 44.602 36.877 24.175 1.00 0.00 C ATOM 797 O LEU A 50 45.778 37.115 23.904 1.00 0.00 O ATOM 798 CB LEU A 50 43.385 38.990 24.898 1.00 0.00 C ATOM 799 CG LEU A 50 42.923 39.922 26.014 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.383 41.214 25.408 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.814 39.339 26.886 1.00 0.00 C ATOM 0 H LEU A 50 45.509 38.443 26.337 1.00 0.00 H new ATOM 0 HA LEU A 50 43.039 37.012 25.588 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.173 39.494 24.339 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.551 38.843 24.211 1.00 0.00 H new ATOM 0 HG LEU A 50 43.799 40.086 26.642 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.053 41.880 26.205 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.169 41.701 24.830 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.541 40.985 24.755 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.540 40.060 27.656 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.943 39.119 26.268 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.166 38.421 27.357 1.00 0.00 H new ATOM 813 N GLU A 51 43.886 35.994 23.485 1.00 0.00 N ATOM 814 CA GLU A 51 44.346 35.261 22.322 1.00 0.00 C ATOM 815 C GLU A 51 43.905 35.919 21.013 1.00 0.00 C ATOM 816 O GLU A 51 42.872 36.582 20.946 1.00 0.00 O ATOM 817 CB GLU A 51 43.874 33.810 22.344 1.00 0.00 C ATOM 818 CG GLU A 51 44.184 32.983 23.589 1.00 0.00 C ATOM 819 CD GLU A 51 45.576 33.197 24.185 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.668 33.400 25.416 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.577 33.127 23.441 1.00 0.00 O ATOM 0 H GLU A 51 42.925 35.763 23.738 1.00 0.00 H new ATOM 0 HA GLU A 51 45.435 35.279 22.368 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.794 33.806 22.199 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.313 33.301 21.485 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.441 33.213 24.352 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.071 31.927 23.342 1.00 0.00 H new ATOM 828 N ASP A 52 44.654 35.680 19.940 1.00 0.00 N ATOM 829 CA ASP A 52 44.442 36.266 18.631 1.00 0.00 C ATOM 830 C ASP A 52 43.242 35.680 17.885 1.00 0.00 C ATOM 831 O ASP A 52 42.645 36.351 17.047 1.00 0.00 O ATOM 832 CB ASP A 52 45.728 36.113 17.825 1.00 0.00 C ATOM 833 CG ASP A 52 46.880 36.905 18.447 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.079 38.081 18.072 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.593 36.369 19.323 1.00 0.00 O ATOM 0 H ASP A 52 45.454 35.048 19.965 1.00 0.00 H new ATOM 0 HA ASP A 52 44.199 37.320 18.765 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.999 35.059 17.768 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.561 36.454 16.803 1.00 0.00 H new ATOM 840 N GLY A 53 42.844 34.454 18.213 1.00 0.00 N ATOM 841 CA GLY A 53 41.716 33.751 17.636 1.00 0.00 C ATOM 842 C GLY A 53 40.339 34.100 18.205 1.00 0.00 C ATOM 843 O GLY A 53 39.387 33.380 17.912 1.00 0.00 O ATOM 0 H GLY A 53 43.326 33.903 18.923 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.703 33.946 16.564 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.878 32.681 17.763 1.00 0.00 H new ATOM 847 N ARG A 54 40.211 35.135 19.031 1.00 0.00 N ATOM 848 CA ARG A 54 38.996 35.519 19.720 1.00 0.00 C ATOM 849 C ARG A 54 38.663 37.005 19.565 1.00 0.00 C ATOM 850 O ARG A 54 39.492 37.799 19.124 1.00 0.00 O ATOM 851 CB ARG A 54 39.095 35.095 21.182 1.00 0.00 C ATOM 852 CG ARG A 54 38.390 33.768 21.442 1.00 0.00 C ATOM 853 CD ARG A 54 38.589 33.289 22.877 1.00 0.00 C ATOM 854 NE ARG A 54 39.791 32.467 23.018 1.00 0.00 N ATOM 855 CZ ARG A 54 40.322 31.984 24.149 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.824 32.264 25.361 1.00 0.00 N ATOM 857 NH2 ARG A 54 41.395 31.186 24.056 1.00 0.00 N ATOM 0 H ARG A 54 40.993 35.754 19.244 1.00 0.00 H new ATOM 0 HA ARG A 54 38.159 34.997 19.255 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.144 35.009 21.464 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.657 35.868 21.814 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.324 33.878 21.240 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.769 33.014 20.752 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.659 34.151 23.541 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.718 32.715 23.192 1.00 0.00 H new ATOM 0 HE ARG A 54 40.282 32.235 22.155 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.007 32.868 25.450 1.00 0.00 H new ATOM 0 HH12 ARG A 54 40.262 31.873 26.195 1.00 0.00 H new ATOM 0 HH21 ARG A 54 41.786 30.961 23.141 1.00 0.00 H new ATOM 0 HH22 ARG A 54 41.821 30.803 24.900 1.00 0.00 H new ATOM 871 N THR A 55 37.437 37.371 19.924 1.00 0.00 N ATOM 872 CA THR A 55 36.925 38.726 19.896 1.00 0.00 C ATOM 873 C THR A 55 36.880 39.392 21.273 1.00 0.00 C ATOM 874 O THR A 55 36.934 38.713 22.297 1.00 0.00 O ATOM 875 CB THR A 55 35.551 38.825 19.241 1.00 0.00 C ATOM 876 OG1 THR A 55 34.552 38.207 20.022 1.00 0.00 O ATOM 877 CG2 THR A 55 35.505 38.205 17.847 1.00 0.00 C ATOM 0 H THR A 55 36.747 36.697 20.256 1.00 0.00 H new ATOM 0 HA THR A 55 37.645 39.269 19.284 1.00 0.00 H new ATOM 0 HB THR A 55 35.360 39.895 19.159 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.579 37.238 19.880 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.501 38.308 17.436 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.217 38.715 17.198 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.765 37.148 17.910 1.00 0.00 H new ATOM 885 N LEU A 56 36.725 40.712 21.312 1.00 0.00 N ATOM 886 CA LEU A 56 36.496 41.441 22.543 1.00 0.00 C ATOM 887 C LEU A 56 35.255 40.950 23.291 1.00 0.00 C ATOM 888 O LEU A 56 35.271 40.867 24.517 1.00 0.00 O ATOM 889 CB LEU A 56 36.401 42.934 22.245 1.00 0.00 C ATOM 890 CG LEU A 56 37.666 43.571 21.675 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.405 45.043 21.371 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.846 43.496 22.639 1.00 0.00 C ATOM 0 H LEU A 56 36.756 41.304 20.482 1.00 0.00 H new ATOM 0 HA LEU A 56 37.344 41.258 23.202 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.585 43.095 21.541 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.136 43.455 23.165 1.00 0.00 H new ATOM 0 HG LEU A 56 37.919 43.013 20.773 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.309 45.496 20.964 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.598 45.127 20.643 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.121 45.559 22.288 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.719 43.964 22.183 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.595 44.018 23.562 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.068 42.452 22.862 1.00 0.00 H new ATOM 904 N SER A 57 34.210 40.540 22.577 1.00 0.00 N ATOM 905 CA SER A 57 33.026 39.926 23.144 1.00 0.00 C ATOM 906 C SER A 57 33.292 38.557 23.772 1.00 0.00 C ATOM 907 O SER A 57 32.748 38.292 24.842 1.00 0.00 O ATOM 908 CB SER A 57 31.932 39.771 22.092 1.00 0.00 C ATOM 909 OG SER A 57 31.540 41.040 21.619 1.00 0.00 O ATOM 0 H SER A 57 34.168 40.631 21.562 1.00 0.00 H new ATOM 0 HA SER A 57 32.703 40.602 23.935 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.294 39.161 21.265 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.075 39.252 22.520 1.00 0.00 H new ATOM 0 HG SER A 57 32.336 41.577 21.425 1.00 0.00 H new ATOM 915 N ASP A 58 34.156 37.731 23.189 1.00 0.00 N ATOM 916 CA ASP A 58 34.576 36.469 23.765 1.00 0.00 C ATOM 917 C ASP A 58 35.354 36.627 25.072 1.00 0.00 C ATOM 918 O ASP A 58 35.583 35.639 25.767 1.00 0.00 O ATOM 919 CB ASP A 58 35.405 35.655 22.776 1.00 0.00 C ATOM 920 CG ASP A 58 34.652 35.253 21.505 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.084 35.680 20.414 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.654 34.507 21.600 1.00 0.00 O ATOM 0 H ASP A 58 34.589 37.929 22.287 1.00 0.00 H new ATOM 0 HA ASP A 58 33.654 35.936 23.996 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.285 36.233 22.495 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.761 34.753 23.274 1.00 0.00 H new ATOM 927 N TYR A 59 35.755 37.843 25.432 1.00 0.00 N ATOM 928 CA TYR A 59 36.339 38.185 26.714 1.00 0.00 C ATOM 929 C TYR A 59 35.478 39.124 27.561 1.00 0.00 C ATOM 930 O TYR A 59 35.911 39.509 28.645 1.00 0.00 O ATOM 931 CB TYR A 59 37.747 38.728 26.492 1.00 0.00 C ATOM 932 CG TYR A 59 38.736 37.684 26.029 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.257 36.777 26.959 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.165 37.657 24.697 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.214 35.836 26.563 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.117 36.716 24.285 1.00 0.00 C ATOM 937 CZ TYR A 59 40.638 35.799 25.219 1.00 0.00 C ATOM 938 OH TYR A 59 41.579 34.894 24.825 1.00 0.00 O ATOM 0 H TYR A 59 35.676 38.646 24.808 1.00 0.00 H new ATOM 0 HA TYR A 59 36.392 37.272 27.307 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.706 39.529 25.754 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.107 39.170 27.421 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.920 36.803 27.985 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.761 38.363 23.986 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.625 35.143 27.282 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.450 36.693 23.258 1.00 0.00 H new ATOM 0 HH TYR A 59 41.679 34.205 25.514 1.00 0.00 H new ATOM 948 N ASN A 60 34.282 39.492 27.115 1.00 0.00 N ATOM 949 CA ASN A 60 33.395 40.430 27.774 1.00 0.00 C ATOM 950 C ASN A 60 34.076 41.763 28.094 1.00 0.00 C ATOM 951 O ASN A 60 33.932 42.310 29.186 1.00 0.00 O ATOM 952 CB ASN A 60 32.708 39.718 28.936 1.00 0.00 C ATOM 953 CG ASN A 60 31.494 40.458 29.500 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.546 41.126 30.531 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.339 40.352 28.850 1.00 0.00 N ATOM 0 H ASN A 60 33.892 39.126 26.246 1.00 0.00 H new ATOM 0 HA ASN A 60 32.601 40.748 27.099 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.394 38.728 28.605 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.433 39.571 29.736 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.508 40.822 29.208 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.284 39.800 27.994 1.00 0.00 H new ATOM 962 N ILE A 61 34.847 42.284 27.144 1.00 0.00 N ATOM 963 CA ILE A 61 35.507 43.571 27.215 1.00 0.00 C ATOM 964 C ILE A 61 34.553 44.629 26.658 1.00 0.00 C ATOM 965 O ILE A 61 33.976 44.446 25.589 1.00 0.00 O ATOM 966 CB ILE A 61 36.852 43.535 26.495 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.761 42.474 27.108 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.528 44.903 26.538 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.104 42.269 26.414 1.00 0.00 C ATOM 0 H ILE A 61 35.033 41.795 26.269 1.00 0.00 H new ATOM 0 HA ILE A 61 35.738 43.829 28.249 1.00 0.00 H new ATOM 0 HB ILE A 61 36.670 43.276 25.452 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.948 42.740 28.148 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.227 41.524 27.113 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.485 44.852 26.019 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.889 45.640 26.051 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.693 45.195 27.575 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.667 41.493 26.933 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.937 41.966 25.380 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.669 43.201 26.432 1.00 0.00 H new ATOM 981 N GLN A 62 34.353 45.714 27.403 1.00 0.00 N ATOM 982 CA GLN A 62 33.247 46.629 27.204 1.00 0.00 C ATOM 983 C GLN A 62 33.683 48.071 26.933 1.00 0.00 C ATOM 984 O GLN A 62 34.868 48.396 26.946 1.00 0.00 O ATOM 985 CB GLN A 62 32.316 46.553 28.408 1.00 0.00 C ATOM 986 CG GLN A 62 31.866 45.150 28.807 1.00 0.00 C ATOM 987 CD GLN A 62 30.787 45.151 29.891 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.254 46.184 30.290 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.416 43.994 30.433 1.00 0.00 N ATOM 0 H GLN A 62 34.968 45.980 28.172 1.00 0.00 H new ATOM 0 HA GLN A 62 32.722 46.315 26.302 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.817 47.011 29.261 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.431 47.153 28.198 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.487 44.632 27.926 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.728 44.586 29.162 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.844 43.123 30.119 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.704 43.978 31.163 1.00 0.00 H new ATOM 998 N LYS A 63 32.712 48.957 26.730 1.00 0.00 N ATOM 999 CA LYS A 63 32.882 50.385 26.556 1.00 0.00 C ATOM 1000 C LYS A 63 33.850 50.998 27.571 1.00 0.00 C ATOM 1001 O LYS A 63 33.693 50.817 28.776 1.00 0.00 O ATOM 1002 CB LYS A 63 31.501 51.028 26.653 1.00 0.00 C ATOM 1003 CG LYS A 63 31.514 52.552 26.582 1.00 0.00 C ATOM 1004 CD LYS A 63 30.131 53.191 26.667 1.00 0.00 C ATOM 1005 CE LYS A 63 29.478 52.911 28.017 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.332 53.800 28.259 1.00 0.00 N ATOM 0 H LYS A 63 31.733 48.676 26.681 1.00 0.00 H new ATOM 0 HA LYS A 63 33.331 50.574 25.581 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.876 50.643 25.847 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.036 50.723 27.590 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.131 52.938 27.393 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.987 52.858 25.649 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.215 54.267 26.516 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.499 52.805 25.867 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.148 51.873 28.054 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.213 53.040 28.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.913 53.582 29.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.652 54.790 28.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.620 53.659 27.515 1.00 0.00 H new ATOM 1020 N GLU A 64 34.821 51.758 27.071 1.00 0.00 N ATOM 1021 CA GLU A 64 35.806 52.502 27.829 1.00 0.00 C ATOM 1022 C GLU A 64 36.694 51.661 28.748 1.00 0.00 C ATOM 1023 O GLU A 64 37.250 52.168 29.720 1.00 0.00 O ATOM 1024 CB GLU A 64 35.172 53.719 28.496 1.00 0.00 C ATOM 1025 CG GLU A 64 34.658 54.739 27.483 1.00 0.00 C ATOM 1026 CD GLU A 64 34.103 55.968 28.207 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.889 56.029 28.498 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.899 56.885 28.503 1.00 0.00 O ATOM 0 H GLU A 64 34.943 51.873 26.065 1.00 0.00 H new ATOM 0 HA GLU A 64 36.530 52.876 27.105 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.347 53.393 29.130 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.905 54.196 29.147 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.465 55.036 26.813 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.880 54.289 26.866 1.00 0.00 H new ATOM 1035 N SER A 65 36.864 50.384 28.420 1.00 0.00 N ATOM 1036 CA SER A 65 37.850 49.515 29.032 1.00 0.00 C ATOM 1037 C SER A 65 39.271 50.041 28.818 1.00 0.00 C ATOM 1038 O SER A 65 39.604 50.512 27.734 1.00 0.00 O ATOM 1039 CB SER A 65 37.788 48.102 28.458 1.00 0.00 C ATOM 1040 OG SER A 65 36.561 47.476 28.759 1.00 0.00 O ATOM 0 H SER A 65 36.305 49.919 27.705 1.00 0.00 H new ATOM 0 HA SER A 65 37.614 49.495 30.096 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.922 48.141 27.377 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.609 47.508 28.860 1.00 0.00 H new ATOM 0 HG SER A 65 35.851 47.866 28.208 1.00 0.00 H new ATOM 1046 N THR A 66 40.131 49.875 29.819 1.00 0.00 N ATOM 1047 CA THR A 66 41.565 50.043 29.692 1.00 0.00 C ATOM 1048 C THR A 66 42.241 48.673 29.639 1.00 0.00 C ATOM 1049 O THR A 66 41.991 47.830 30.499 1.00 0.00 O ATOM 1050 CB THR A 66 42.153 50.888 30.819 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.574 52.174 30.847 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.651 51.110 30.628 1.00 0.00 C ATOM 0 H THR A 66 39.838 49.614 30.760 1.00 0.00 H new ATOM 0 HA THR A 66 41.755 50.581 28.763 1.00 0.00 H new ATOM 0 HB THR A 66 41.951 50.339 31.739 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.967 52.694 31.579 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.037 51.715 31.448 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.163 50.148 30.615 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.825 51.626 29.684 1.00 0.00 H new ATOM 1060 N LEU A 67 43.097 48.446 28.646 1.00 0.00 N ATOM 1061 CA LEU A 67 43.864 47.233 28.447 1.00 0.00 C ATOM 1062 C LEU A 67 45.354 47.500 28.669 1.00 0.00 C ATOM 1063 O LEU A 67 45.808 48.636 28.554 1.00 0.00 O ATOM 1064 CB LEU A 67 43.605 46.647 27.062 1.00 0.00 C ATOM 1065 CG LEU A 67 42.180 46.198 26.753 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.245 47.327 26.334 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.208 45.215 25.586 1.00 0.00 C ATOM 0 H LEU A 67 43.279 49.143 27.924 1.00 0.00 H new ATOM 0 HA LEU A 67 43.541 46.495 29.182 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.893 47.392 26.320 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.266 45.791 26.928 1.00 0.00 H new ATOM 0 HG LEU A 67 41.804 45.765 27.680 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.253 46.922 26.133 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.181 48.063 27.136 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.632 47.804 25.433 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.193 44.890 25.360 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.637 45.702 24.710 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.815 44.350 25.853 1.00 0.00 H new ATOM 1079 N HIS A 68 46.131 46.458 28.953 1.00 0.00 N ATOM 1080 CA HIS A 68 47.561 46.527 29.179 1.00 0.00 C ATOM 1081 C HIS A 68 48.308 45.753 28.090 1.00 0.00 C ATOM 1082 O HIS A 68 48.018 44.587 27.831 1.00 0.00 O ATOM 1083 CB HIS A 68 47.890 46.001 30.573 1.00 0.00 C ATOM 1084 CG HIS A 68 47.224 46.786 31.669 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.618 48.045 32.120 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.088 46.413 32.340 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.712 48.419 33.027 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.791 47.456 33.195 1.00 0.00 N ATOM 0 H HIS A 68 45.763 45.510 29.034 1.00 0.00 H new ATOM 0 HA HIS A 68 47.888 47.565 29.126 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.584 44.957 30.643 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.970 46.027 30.720 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.538 45.491 32.224 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.719 49.363 33.552 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.005 47.489 33.844 1.00 0.00 H new ATOM 1096 N LEU A 69 49.273 46.400 27.442 1.00 0.00 N ATOM 1097 CA LEU A 69 50.118 45.805 26.427 1.00 0.00 C ATOM 1098 C LEU A 69 51.467 45.394 27.023 1.00 0.00 C ATOM 1099 O LEU A 69 52.048 46.143 27.805 1.00 0.00 O ATOM 1100 CB LEU A 69 50.268 46.811 25.289 1.00 0.00 C ATOM 1101 CG LEU A 69 50.829 46.229 23.996 1.00 0.00 C ATOM 1102 CD1 LEU A 69 49.854 45.272 23.315 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.103 47.368 23.017 1.00 0.00 C ATOM 0 H LEU A 69 49.490 47.381 27.618 1.00 0.00 H new ATOM 0 HA LEU A 69 49.667 44.893 26.035 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.293 47.252 25.081 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.919 47.620 25.620 1.00 0.00 H new ATOM 0 HG LEU A 69 51.734 45.681 24.258 1.00 0.00 H new ATOM 0 HD11 LEU A 69 50.302 44.886 22.400 1.00 0.00 H new ATOM 0 HD12 LEU A 69 49.629 44.443 23.986 1.00 0.00 H new ATOM 0 HD13 LEU A 69 48.933 45.802 23.072 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.505 46.961 22.089 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.175 47.900 22.808 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.826 48.057 23.454 1.00 0.00 H new ATOM 1115 N VAL A 70 51.978 44.230 26.632 1.00 0.00 N ATOM 1116 CA VAL A 70 53.252 43.682 27.051 1.00 0.00 C ATOM 1117 C VAL A 70 54.038 43.214 25.825 1.00 0.00 C ATOM 1118 O VAL A 70 53.465 42.750 24.842 1.00 0.00 O ATOM 1119 CB VAL A 70 53.080 42.558 28.069 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.390 42.266 28.796 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.051 42.872 29.151 1.00 0.00 C ATOM 0 H VAL A 70 51.485 43.618 25.982 1.00 0.00 H new ATOM 0 HA VAL A 70 53.818 44.468 27.552 1.00 0.00 H new ATOM 0 HB VAL A 70 52.743 41.705 27.480 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.236 41.461 29.515 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.149 41.967 28.073 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.722 43.162 29.321 1.00 0.00 H new ATOM 0 HG21 VAL A 70 51.980 42.031 29.840 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.358 43.764 29.697 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.079 43.046 28.689 1.00 0.00 H new