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 -83:sc= 2.18 USER MOD Set 1.2: A 57 SER OG : rot -34:sc= 1.1 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -117:sc= 0.316 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.29 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 1.26 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.44) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -65:sc= 0.39 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00114 USER MOD Single : A 22 THR OG1 : rot 50:sc= 0.879 USER MOD Single : A 25 ASN : amide:sc= -0.401 K(o=-0.4,f=-2.4!) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 0.0854 (180deg=-0.0241) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 1.66 (180deg=1.3) USER MOD Single : A 31 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0345) USER MOD Single : A 40 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.63) USER MOD Single : A 41 GLN : amide:sc= 0.571 K(o=0.57,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 59 TYR OH : rot -168:sc= 1.19 USER MOD Single : A 60 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.095) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc=-0.000566 (180deg=-0.0777) USER MOD Single : A 65 SER OG : rot -140:sc= 0.272 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0402 X(o=-0.04,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.744 51.708 19.723 1.00 0.00 N ATOM 2 CA MET A 1 32.999 52.065 21.126 1.00 0.00 C ATOM 3 C MET A 1 34.456 52.494 21.310 1.00 0.00 C ATOM 4 O MET A 1 35.344 51.965 20.645 1.00 0.00 O ATOM 5 CB MET A 1 32.598 50.967 22.108 1.00 0.00 C ATOM 6 CG MET A 1 33.456 49.706 22.061 1.00 0.00 C ATOM 7 SD MET A 1 32.963 48.461 23.280 1.00 0.00 S ATOM 8 CE MET A 1 34.359 47.319 23.125 1.00 0.00 C ATOM 0 H1 MET A 1 31.733 51.501 19.596 1.00 0.00 H new ATOM 0 H2 MET A 1 33.015 52.502 19.108 1.00 0.00 H new ATOM 0 H3 MET A 1 33.304 50.869 19.471 1.00 0.00 H new ATOM 0 HA MET A 1 32.357 52.913 21.364 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.635 51.374 23.118 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.562 50.689 21.914 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.397 49.271 21.063 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.498 49.977 22.229 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.222 46.482 23.810 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.412 46.946 22.102 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.285 47.840 23.369 1.00 0.00 H new ATOM 20 N GLN A 2 34.725 53.410 22.235 1.00 0.00 N ATOM 21 CA GLN A 2 36.075 53.825 22.561 1.00 0.00 C ATOM 22 C GLN A 2 36.659 53.001 23.710 1.00 0.00 C ATOM 23 O GLN A 2 35.946 52.700 24.665 1.00 0.00 O ATOM 24 CB GLN A 2 36.103 55.324 22.849 1.00 0.00 C ATOM 25 CG GLN A 2 37.493 55.907 22.608 1.00 0.00 C ATOM 26 CD GLN A 2 37.610 57.365 23.059 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.701 58.290 22.255 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.657 57.624 24.362 1.00 0.00 N ATOM 0 H GLN A 2 34.005 53.885 22.780 1.00 0.00 H new ATOM 0 HA GLN A 2 36.715 53.636 21.699 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.378 55.832 22.214 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.804 55.504 23.882 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.231 55.307 23.140 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.732 55.839 21.547 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.582 56.862 25.036 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.768 58.584 24.687 1.00 0.00 H new ATOM 37 N ILE A 3 37.944 52.662 23.650 1.00 0.00 N ATOM 38 CA ILE A 3 38.678 51.942 24.670 1.00 0.00 C ATOM 39 C ILE A 3 40.048 52.569 24.931 1.00 0.00 C ATOM 40 O ILE A 3 40.427 53.536 24.273 1.00 0.00 O ATOM 41 CB ILE A 3 38.799 50.461 24.322 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.657 50.205 23.086 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.427 49.803 24.209 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.098 48.756 22.905 1.00 0.00 C ATOM 0 H ILE A 3 38.525 52.897 22.845 1.00 0.00 H new ATOM 0 HA ILE A 3 38.108 52.019 25.596 1.00 0.00 H new ATOM 0 HB ILE A 3 39.326 49.991 25.152 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.098 50.514 22.202 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.544 50.837 23.139 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.548 48.749 23.960 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.901 49.893 25.159 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.850 50.296 23.427 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.702 48.670 22.002 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.688 48.445 23.767 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.220 48.117 22.816 1.00 0.00 H new ATOM 56 N PHE A 4 40.824 52.018 25.860 1.00 0.00 N ATOM 57 CA PHE A 4 42.210 52.370 26.091 1.00 0.00 C ATOM 58 C PHE A 4 43.137 51.155 26.021 1.00 0.00 C ATOM 59 O PHE A 4 42.796 50.077 26.504 1.00 0.00 O ATOM 60 CB PHE A 4 42.367 53.031 27.457 1.00 0.00 C ATOM 61 CG PHE A 4 41.563 54.290 27.681 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.924 55.477 27.033 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.489 54.282 28.579 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.219 56.658 27.285 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.785 55.464 28.837 1.00 0.00 C ATOM 66 CZ PHE A 4 40.152 56.651 28.191 1.00 0.00 C ATOM 0 H PHE A 4 40.488 51.290 26.491 1.00 0.00 H new ATOM 0 HA PHE A 4 42.495 53.063 25.299 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.091 52.306 28.223 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.421 53.266 27.606 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.749 55.481 26.336 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.204 53.365 29.072 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.497 57.573 26.782 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.960 55.461 29.534 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.610 57.563 28.392 1.00 0.00 H new ATOM 76 N VAL A 5 44.342 51.346 25.491 1.00 0.00 N ATOM 77 CA VAL A 5 45.449 50.416 25.586 1.00 0.00 C ATOM 78 C VAL A 5 46.648 51.134 26.208 1.00 0.00 C ATOM 79 O VAL A 5 47.047 52.192 25.730 1.00 0.00 O ATOM 80 CB VAL A 5 45.805 49.811 24.230 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.996 48.864 24.333 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.632 49.013 23.668 1.00 0.00 C ATOM 0 H VAL A 5 44.577 52.187 24.964 1.00 0.00 H new ATOM 0 HA VAL A 5 45.154 49.583 26.224 1.00 0.00 H new ATOM 0 HB VAL A 5 46.052 50.646 23.574 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.220 48.453 23.349 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.864 49.409 24.704 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.757 48.052 25.020 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.909 48.591 22.702 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.377 48.207 24.356 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.771 49.670 23.544 1.00 0.00 H new ATOM 92 N LYS A 6 47.219 50.580 27.275 1.00 0.00 N ATOM 93 CA LYS A 6 48.261 51.205 28.064 1.00 0.00 C ATOM 94 C LYS A 6 49.494 50.308 28.179 1.00 0.00 C ATOM 95 O LYS A 6 49.372 49.161 28.605 1.00 0.00 O ATOM 96 CB LYS A 6 47.661 51.581 29.416 1.00 0.00 C ATOM 97 CG LYS A 6 48.597 52.403 30.299 1.00 0.00 C ATOM 98 CD LYS A 6 47.861 52.836 31.563 1.00 0.00 C ATOM 99 CE LYS A 6 48.709 53.723 32.470 1.00 0.00 C ATOM 100 NZ LYS A 6 48.907 55.072 31.918 1.00 0.00 N ATOM 0 H LYS A 6 46.957 49.656 27.619 1.00 0.00 H new ATOM 0 HA LYS A 6 48.620 52.111 27.575 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.743 52.146 29.251 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.384 50.670 29.946 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.476 51.814 30.562 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.951 53.278 29.755 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.954 53.372 31.284 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.550 51.951 32.117 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.231 53.801 33.446 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.680 53.253 32.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.919 55.227 31.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.377 55.164 31.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.565 55.780 32.599 1.00 0.00 H new ATOM 168 N LYS A 11 52.714 55.107 28.768 1.00 0.00 N ATOM 169 CA LYS A 11 51.918 55.663 27.692 1.00 0.00 C ATOM 170 C LYS A 11 50.585 54.941 27.482 1.00 0.00 C ATOM 171 O LYS A 11 50.551 53.724 27.313 1.00 0.00 O ATOM 172 CB LYS A 11 52.768 55.704 26.425 1.00 0.00 C ATOM 173 CG LYS A 11 52.123 56.449 25.260 1.00 0.00 C ATOM 174 CD LYS A 11 52.921 56.356 23.962 1.00 0.00 C ATOM 175 CE LYS A 11 54.341 56.896 24.097 1.00 0.00 C ATOM 176 NZ LYS A 11 55.113 56.731 22.856 1.00 0.00 N ATOM 0 HA LYS A 11 51.630 56.678 27.967 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.723 56.174 26.658 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.984 54.682 26.113 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.123 56.049 25.092 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.005 57.498 25.531 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.963 55.315 23.641 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.400 56.910 23.181 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.303 57.952 24.363 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.849 56.380 24.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 56.072 57.111 22.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.171 55.721 22.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.643 57.244 22.084 1.00 0.00 H new ATOM 190 N THR A 12 49.490 55.693 27.410 1.00 0.00 N ATOM 191 CA THR A 12 48.185 55.246 26.965 1.00 0.00 C ATOM 192 C THR A 12 47.905 55.708 25.534 1.00 0.00 C ATOM 193 O THR A 12 48.193 56.845 25.166 1.00 0.00 O ATOM 194 CB THR A 12 47.062 55.695 27.895 1.00 0.00 C ATOM 195 OG1 THR A 12 47.310 55.339 29.236 1.00 0.00 O ATOM 196 CG2 THR A 12 45.728 55.036 27.552 1.00 0.00 C ATOM 0 H THR A 12 49.495 56.678 27.675 1.00 0.00 H new ATOM 0 HA THR A 12 48.208 54.156 26.988 1.00 0.00 H new ATOM 0 HB THR A 12 47.020 56.776 27.765 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.569 55.646 29.798 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.961 55.387 28.242 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.446 55.296 26.532 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.824 53.954 27.637 1.00 0.00 H new ATOM 204 N ILE A 13 47.295 54.830 24.743 1.00 0.00 N ATOM 205 CA ILE A 13 46.723 55.077 23.434 1.00 0.00 C ATOM 206 C ILE A 13 45.213 54.852 23.518 1.00 0.00 C ATOM 207 O ILE A 13 44.759 53.817 23.999 1.00 0.00 O ATOM 208 CB ILE A 13 47.352 54.178 22.374 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.877 54.132 22.372 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.837 54.551 20.987 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.597 55.447 22.093 1.00 0.00 C ATOM 0 H ILE A 13 47.182 53.857 25.027 1.00 0.00 H new ATOM 0 HA ILE A 13 46.928 56.105 23.136 1.00 0.00 H new ATOM 0 HB ILE A 13 47.039 53.170 22.644 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.208 53.761 23.342 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.195 53.404 21.626 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.295 53.901 20.242 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.754 54.431 20.957 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.094 55.588 20.770 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.675 55.284 22.119 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.309 55.818 21.109 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.323 56.180 22.851 1.00 0.00 H new ATOM 223 N THR A 14 44.417 55.800 23.031 1.00 0.00 N ATOM 224 CA THR A 14 42.978 55.680 22.916 1.00 0.00 C ATOM 225 C THR A 14 42.618 55.051 21.568 1.00 0.00 C ATOM 226 O THR A 14 43.042 55.563 20.534 1.00 0.00 O ATOM 227 CB THR A 14 42.318 57.049 23.060 1.00 0.00 C ATOM 228 OG1 THR A 14 42.580 57.570 24.343 1.00 0.00 O ATOM 229 CG2 THR A 14 40.798 57.010 22.933 1.00 0.00 C ATOM 0 H THR A 14 44.772 56.696 22.698 1.00 0.00 H new ATOM 0 HA THR A 14 42.610 55.037 23.715 1.00 0.00 H new ATOM 0 HB THR A 14 42.733 57.656 22.255 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.154 57.003 25.019 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.397 58.017 23.046 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.525 56.618 21.953 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.384 56.366 23.709 1.00 0.00 H new ATOM 237 N LEU A 15 41.841 53.972 21.570 1.00 0.00 N ATOM 238 CA LEU A 15 41.429 53.258 20.379 1.00 0.00 C ATOM 239 C LEU A 15 39.916 53.297 20.158 1.00 0.00 C ATOM 240 O LEU A 15 39.142 53.444 21.102 1.00 0.00 O ATOM 241 CB LEU A 15 41.930 51.817 20.392 1.00 0.00 C ATOM 242 CG LEU A 15 43.430 51.595 20.565 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.726 50.100 20.470 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.287 52.278 19.503 1.00 0.00 C ATOM 0 H LEU A 15 41.473 53.563 22.429 1.00 0.00 H new ATOM 0 HA LEU A 15 41.889 53.779 19.540 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.417 51.290 21.196 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.626 51.346 19.457 1.00 0.00 H new ATOM 0 HG LEU A 15 43.683 52.024 21.534 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.796 49.932 20.593 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.184 49.571 21.254 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.410 49.728 19.496 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.340 52.072 19.697 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.018 51.897 18.518 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.116 53.354 19.535 1.00 0.00 H new ATOM 256 N GLU A 16 39.495 53.108 18.911 1.00 0.00 N ATOM 257 CA GLU A 16 38.116 53.054 18.465 1.00 0.00 C ATOM 258 C GLU A 16 37.857 51.708 17.784 1.00 0.00 C ATOM 259 O GLU A 16 38.496 51.347 16.798 1.00 0.00 O ATOM 260 CB GLU A 16 37.848 54.270 17.583 1.00 0.00 C ATOM 261 CG GLU A 16 36.611 54.215 16.691 1.00 0.00 C ATOM 262 CD GLU A 16 35.300 54.072 17.468 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.721 52.966 17.477 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.800 55.092 17.990 1.00 0.00 O ATOM 0 H GLU A 16 40.152 52.981 18.141 1.00 0.00 H new ATOM 0 HA GLU A 16 37.412 53.107 19.296 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.763 55.145 18.228 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.719 54.426 16.946 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.568 55.121 16.087 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.708 53.377 16.001 1.00 0.00 H new ATOM 271 N VAL A 17 36.962 50.921 18.373 1.00 0.00 N ATOM 272 CA VAL A 17 36.761 49.515 18.082 1.00 0.00 C ATOM 273 C VAL A 17 35.279 49.137 18.115 1.00 0.00 C ATOM 274 O VAL A 17 34.485 49.738 18.835 1.00 0.00 O ATOM 275 CB VAL A 17 37.530 48.629 19.058 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.042 48.795 18.934 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.133 48.876 20.510 1.00 0.00 C ATOM 0 H VAL A 17 36.332 51.266 19.097 1.00 0.00 H new ATOM 0 HA VAL A 17 37.142 49.349 17.074 1.00 0.00 H new ATOM 0 HB VAL A 17 37.259 47.610 18.781 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.540 48.142 19.651 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.355 48.531 17.924 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.312 49.831 19.138 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.710 48.220 21.162 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.335 49.915 20.771 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.070 48.670 20.637 1.00 0.00 H new ATOM 287 N GLU A 18 34.911 48.090 17.383 1.00 0.00 N ATOM 288 CA GLU A 18 33.634 47.430 17.565 1.00 0.00 C ATOM 289 C GLU A 18 33.756 46.332 18.622 1.00 0.00 C ATOM 290 O GLU A 18 34.815 45.715 18.718 1.00 0.00 O ATOM 291 CB GLU A 18 33.119 46.882 16.237 1.00 0.00 C ATOM 292 CG GLU A 18 33.038 47.906 15.109 1.00 0.00 C ATOM 293 CD GLU A 18 32.244 49.160 15.480 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.102 49.038 15.973 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.743 50.291 15.293 1.00 0.00 O ATOM 0 H GLU A 18 35.491 47.681 16.651 1.00 0.00 H new ATOM 0 HA GLU A 18 32.904 48.157 17.921 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.768 46.065 15.921 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.127 46.458 16.395 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.048 48.197 14.820 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.579 47.439 14.237 1.00 0.00 H new ATOM 302 N PRO A 19 32.723 46.001 19.392 1.00 0.00 N ATOM 303 CA PRO A 19 32.782 44.907 20.340 1.00 0.00 C ATOM 304 C PRO A 19 33.037 43.547 19.688 1.00 0.00 C ATOM 305 O PRO A 19 33.521 42.629 20.346 1.00 0.00 O ATOM 306 CB PRO A 19 31.450 44.951 21.085 1.00 0.00 C ATOM 307 CG PRO A 19 30.498 45.639 20.111 1.00 0.00 C ATOM 308 CD PRO A 19 31.421 46.637 19.420 1.00 0.00 C ATOM 0 HA PRO A 19 33.630 45.027 21.014 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.103 43.950 21.340 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.534 45.507 22.019 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.057 44.935 19.406 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.674 46.133 20.626 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.072 46.862 18.412 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.456 47.581 19.964 1.00 0.00 H new ATOM 316 N SER A 20 32.762 43.432 18.392 1.00 0.00 N ATOM 317 CA SER A 20 33.065 42.296 17.545 1.00 0.00 C ATOM 318 C SER A 20 34.457 42.317 16.912 1.00 0.00 C ATOM 319 O SER A 20 34.786 41.383 16.183 1.00 0.00 O ATOM 320 CB SER A 20 31.997 42.205 16.459 1.00 0.00 C ATOM 321 OG SER A 20 31.990 43.380 15.680 1.00 0.00 O ATOM 0 H SER A 20 32.293 44.179 17.879 1.00 0.00 H new ATOM 0 HA SER A 20 33.064 41.417 18.189 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.188 41.340 15.823 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.018 42.056 16.914 1.00 0.00 H new ATOM 0 HG SER A 20 31.302 43.308 14.986 1.00 0.00 H new ATOM 327 N ASP A 21 35.286 43.332 17.136 1.00 0.00 N ATOM 328 CA ASP A 21 36.656 43.345 16.661 1.00 0.00 C ATOM 329 C ASP A 21 37.456 42.225 17.329 1.00 0.00 C ATOM 330 O ASP A 21 37.360 41.995 18.532 1.00 0.00 O ATOM 331 CB ASP A 21 37.334 44.697 16.859 1.00 0.00 C ATOM 332 CG ASP A 21 36.917 45.782 15.864 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.285 45.467 14.833 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.276 46.963 16.061 1.00 0.00 O ATOM 0 H ASP A 21 35.021 44.169 17.654 1.00 0.00 H new ATOM 0 HA ASP A 21 36.629 43.170 15.585 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.120 45.049 17.868 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.413 44.559 16.791 1.00 0.00 H new ATOM 339 N THR A 22 38.239 41.508 16.527 1.00 0.00 N ATOM 340 CA THR A 22 39.129 40.461 16.990 1.00 0.00 C ATOM 341 C THR A 22 40.474 41.024 17.454 1.00 0.00 C ATOM 342 O THR A 22 40.910 42.082 17.008 1.00 0.00 O ATOM 343 CB THR A 22 39.268 39.359 15.945 1.00 0.00 C ATOM 344 OG1 THR A 22 40.033 38.295 16.467 1.00 0.00 O ATOM 345 CG2 THR A 22 39.944 39.806 14.652 1.00 0.00 C ATOM 0 H THR A 22 38.269 41.646 15.517 1.00 0.00 H new ATOM 0 HA THR A 22 38.682 40.000 17.870 1.00 0.00 H new ATOM 0 HB THR A 22 38.247 39.061 15.708 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.677 38.035 17.342 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.004 38.964 13.963 1.00 0.00 H new ATOM 0 HG22 THR A 22 39.363 40.608 14.196 1.00 0.00 H new ATOM 0 HG23 THR A 22 40.949 40.166 14.872 1.00 0.00 H new ATOM 353 N ILE A 23 41.167 40.320 18.346 1.00 0.00 N ATOM 354 CA ILE A 23 42.346 40.832 19.015 1.00 0.00 C ATOM 355 C ILE A 23 43.482 41.132 18.035 1.00 0.00 C ATOM 356 O ILE A 23 44.149 42.155 18.160 1.00 0.00 O ATOM 357 CB ILE A 23 42.786 39.881 20.125 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.657 39.389 21.027 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.884 40.508 20.979 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.798 40.475 21.668 1.00 0.00 C ATOM 0 H ILE A 23 40.918 39.370 18.623 1.00 0.00 H new ATOM 0 HA ILE A 23 42.081 41.785 19.473 1.00 0.00 H new ATOM 0 HB ILE A 23 43.166 39.003 19.603 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.008 38.737 20.442 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.090 38.780 21.820 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.179 39.810 21.762 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.746 40.736 20.353 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.512 41.426 21.433 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.029 40.013 22.287 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.425 41.116 22.288 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.326 41.073 20.888 1.00 0.00 H new ATOM 372 N GLU A 24 43.646 40.329 16.987 1.00 0.00 N ATOM 373 CA GLU A 24 44.629 40.580 15.953 1.00 0.00 C ATOM 374 C GLU A 24 44.342 41.816 15.099 1.00 0.00 C ATOM 375 O GLU A 24 45.271 42.412 14.558 1.00 0.00 O ATOM 376 CB GLU A 24 44.844 39.329 15.106 1.00 0.00 C ATOM 377 CG GLU A 24 43.610 38.877 14.331 1.00 0.00 C ATOM 378 CD GLU A 24 43.915 37.662 13.452 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.150 37.824 12.235 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.940 36.522 13.965 1.00 0.00 O ATOM 0 H GLU A 24 43.095 39.484 16.836 1.00 0.00 H new ATOM 0 HA GLU A 24 45.561 40.818 16.466 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.653 39.517 14.400 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.169 38.516 15.755 1.00 0.00 H new ATOM 0 HG2 GLU A 24 42.810 38.631 15.029 1.00 0.00 H new ATOM 0 HG3 GLU A 24 43.249 39.696 13.709 1.00 0.00 H new ATOM 387 N ASN A 25 43.090 42.261 15.033 1.00 0.00 N ATOM 388 CA ASN A 25 42.737 43.534 14.439 1.00 0.00 C ATOM 389 C ASN A 25 43.072 44.702 15.369 1.00 0.00 C ATOM 390 O ASN A 25 43.520 45.747 14.901 1.00 0.00 O ATOM 391 CB ASN A 25 41.266 43.527 14.032 1.00 0.00 C ATOM 392 CG ASN A 25 40.869 44.827 13.330 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.118 45.646 13.858 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.337 45.051 12.106 1.00 0.00 N ATOM 0 H ASN A 25 42.291 41.740 15.395 1.00 0.00 H new ATOM 0 HA ASN A 25 43.337 43.678 13.540 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.075 42.682 13.370 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.644 43.386 14.916 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.073 45.900 11.607 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.960 44.373 11.666 1.00 0.00 H new ATOM 401 N VAL A 26 42.972 44.529 16.684 1.00 0.00 N ATOM 402 CA VAL A 26 43.411 45.532 17.633 1.00 0.00 C ATOM 403 C VAL A 26 44.931 45.697 17.582 1.00 0.00 C ATOM 404 O VAL A 26 45.410 46.828 17.552 1.00 0.00 O ATOM 405 CB VAL A 26 42.895 45.252 19.041 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.288 46.356 20.020 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.370 45.164 19.044 1.00 0.00 C ATOM 0 H VAL A 26 42.585 43.690 17.115 1.00 0.00 H new ATOM 0 HA VAL A 26 42.973 46.487 17.341 1.00 0.00 H new ATOM 0 HB VAL A 26 43.343 44.308 19.352 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.901 46.118 21.011 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.374 46.434 20.064 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.869 47.305 19.685 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.019 44.964 20.056 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.950 46.107 18.694 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.051 44.358 18.383 1.00 0.00 H new ATOM 417 N LYS A 27 45.692 44.616 17.434 1.00 0.00 N ATOM 418 CA LYS A 27 47.112 44.687 17.157 1.00 0.00 C ATOM 419 C LYS A 27 47.421 45.435 15.859 1.00 0.00 C ATOM 420 O LYS A 27 48.361 46.226 15.823 1.00 0.00 O ATOM 421 CB LYS A 27 47.751 43.302 17.100 1.00 0.00 C ATOM 422 CG LYS A 27 47.652 42.485 18.383 1.00 0.00 C ATOM 423 CD LYS A 27 48.347 41.141 18.184 1.00 0.00 C ATOM 424 CE LYS A 27 47.914 40.125 19.237 1.00 0.00 C ATOM 425 NZ LYS A 27 48.421 38.783 18.912 1.00 0.00 N ATOM 0 H LYS A 27 45.333 43.664 17.504 1.00 0.00 H new ATOM 0 HA LYS A 27 47.542 45.246 17.988 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.284 42.738 16.293 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.804 43.416 16.842 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.114 43.027 19.208 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.606 42.330 18.649 1.00 0.00 H new ATOM 0 HD2 LYS A 27 48.119 40.756 17.190 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.427 41.278 18.232 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.283 40.430 20.216 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.826 40.102 19.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.829 38.066 19.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.391 38.641 17.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.402 38.692 19.246 1.00 0.00 H new ATOM 439 N ALA A 28 46.633 45.218 14.809 1.00 0.00 N ATOM 440 CA ALA A 28 46.764 45.899 13.537 1.00 0.00 C ATOM 441 C ALA A 28 46.437 47.393 13.611 1.00 0.00 C ATOM 442 O ALA A 28 47.107 48.179 12.945 1.00 0.00 O ATOM 443 CB ALA A 28 45.890 45.199 12.501 1.00 0.00 C ATOM 0 H ALA A 28 45.867 44.544 14.827 1.00 0.00 H new ATOM 0 HA ALA A 28 47.812 45.843 13.242 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.985 45.708 11.542 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.210 44.162 12.395 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.850 45.226 12.825 1.00 0.00 H new ATOM 449 N LYS A 29 45.482 47.798 14.443 1.00 0.00 N ATOM 450 CA LYS A 29 45.168 49.182 14.737 1.00 0.00 C ATOM 451 C LYS A 29 46.295 49.866 15.515 1.00 0.00 C ATOM 452 O LYS A 29 46.648 51.003 15.211 1.00 0.00 O ATOM 453 CB LYS A 29 43.840 49.274 15.482 1.00 0.00 C ATOM 454 CG LYS A 29 42.639 49.027 14.573 1.00 0.00 C ATOM 455 CD LYS A 29 41.324 48.998 15.346 1.00 0.00 C ATOM 456 CE LYS A 29 40.152 48.935 14.372 1.00 0.00 C ATOM 457 NZ LYS A 29 38.851 49.022 15.051 1.00 0.00 N ATOM 0 H LYS A 29 44.886 47.142 14.947 1.00 0.00 H new ATOM 0 HA LYS A 29 45.070 49.715 13.792 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.832 48.547 16.294 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.750 50.261 15.937 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.594 49.808 13.814 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.771 48.080 14.049 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.302 48.135 16.012 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.240 49.886 15.973 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.238 49.749 13.652 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.202 48.004 13.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.111 49.246 14.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.635 48.112 15.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.886 49.770 15.773 1.00 0.00 H new ATOM 471 N ILE A 30 46.916 49.170 16.462 1.00 0.00 N ATOM 472 CA ILE A 30 48.098 49.640 17.157 1.00 0.00 C ATOM 473 C ILE A 30 49.268 49.811 16.186 1.00 0.00 C ATOM 474 O ILE A 30 49.949 50.832 16.225 1.00 0.00 O ATOM 475 CB ILE A 30 48.416 48.726 18.337 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.333 48.829 19.406 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.780 49.038 18.947 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.351 47.684 20.415 1.00 0.00 C ATOM 0 H ILE A 30 46.603 48.249 16.769 1.00 0.00 H new ATOM 0 HA ILE A 30 47.906 50.629 17.573 1.00 0.00 H new ATOM 0 HB ILE A 30 48.445 47.706 17.954 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.451 49.772 19.939 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.358 48.857 18.920 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.967 48.365 19.784 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.555 48.903 18.193 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.793 50.069 19.301 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.552 47.828 21.143 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.202 46.738 19.895 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.312 47.667 20.929 1.00 0.00 H new ATOM 490 N GLN A 31 49.472 48.872 15.266 1.00 0.00 N ATOM 491 CA GLN A 31 50.453 48.976 14.204 1.00 0.00 C ATOM 492 C GLN A 31 50.171 50.156 13.271 1.00 0.00 C ATOM 493 O GLN A 31 51.098 50.861 12.876 1.00 0.00 O ATOM 494 CB GLN A 31 50.493 47.648 13.453 1.00 0.00 C ATOM 495 CG GLN A 31 51.644 47.518 12.460 1.00 0.00 C ATOM 496 CD GLN A 31 51.651 46.160 11.755 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.648 45.455 11.675 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.792 45.708 11.243 1.00 0.00 N ATOM 0 H GLN A 31 48.944 47.999 15.243 1.00 0.00 H new ATOM 0 HA GLN A 31 51.433 49.177 14.637 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.562 46.837 14.178 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.552 47.519 12.918 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.570 48.311 11.716 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.590 47.658 12.983 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.637 46.277 11.298 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.822 44.792 10.795 1.00 0.00 H new ATOM 507 N ASP A 32 48.911 50.428 12.941 1.00 0.00 N ATOM 508 CA ASP A 32 48.523 51.558 12.123 1.00 0.00 C ATOM 509 C ASP A 32 48.770 52.914 12.788 1.00 0.00 C ATOM 510 O ASP A 32 49.149 53.873 12.119 1.00 0.00 O ATOM 511 CB ASP A 32 47.056 51.398 11.734 1.00 0.00 C ATOM 512 CG ASP A 32 46.606 52.429 10.697 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.625 53.159 10.962 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.189 52.447 9.593 1.00 0.00 O ATOM 0 H ASP A 32 48.123 49.855 13.243 1.00 0.00 H new ATOM 0 HA ASP A 32 49.157 51.557 11.236 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.897 50.395 11.337 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.436 51.490 12.625 1.00 0.00 H new ATOM 519 N LYS A 33 48.573 53.006 14.100 1.00 0.00 N ATOM 520 CA LYS A 33 48.739 54.226 14.863 1.00 0.00 C ATOM 521 C LYS A 33 50.182 54.511 15.282 1.00 0.00 C ATOM 522 O LYS A 33 50.612 55.658 15.180 1.00 0.00 O ATOM 523 CB LYS A 33 47.798 54.227 16.065 1.00 0.00 C ATOM 524 CG LYS A 33 46.353 54.418 15.610 1.00 0.00 C ATOM 525 CD LYS A 33 45.340 54.412 16.751 1.00 0.00 C ATOM 526 CE LYS A 33 45.396 55.607 17.699 1.00 0.00 C ATOM 527 NZ LYS A 33 45.140 56.885 17.019 1.00 0.00 N ATOM 0 H LYS A 33 48.286 52.211 14.671 1.00 0.00 H new ATOM 0 HA LYS A 33 48.473 55.045 14.195 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.893 53.288 16.610 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.078 55.025 16.753 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.274 55.362 15.072 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.097 53.627 14.905 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.339 54.360 16.322 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.485 53.503 17.335 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.662 55.470 18.493 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.377 55.643 18.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.106 57.651 17.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.902 57.074 16.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.230 56.835 16.517 1.00 0.00 H new ATOM 541 N GLU A 34 50.918 53.505 15.747 1.00 0.00 N ATOM 542 CA GLU A 34 52.217 53.651 16.372 1.00 0.00 C ATOM 543 C GLU A 34 53.365 52.979 15.616 1.00 0.00 C ATOM 544 O GLU A 34 54.522 53.155 15.992 1.00 0.00 O ATOM 545 CB GLU A 34 52.146 53.098 17.793 1.00 0.00 C ATOM 546 CG GLU A 34 51.233 53.874 18.738 1.00 0.00 C ATOM 547 CD GLU A 34 51.750 55.289 19.007 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.910 55.435 19.449 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.006 56.266 18.777 1.00 0.00 O ATOM 0 H GLU A 34 50.610 52.534 15.694 1.00 0.00 H new ATOM 0 HA GLU A 34 52.445 54.717 16.366 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.804 52.064 17.748 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.152 53.084 18.213 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.232 53.930 18.310 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.146 53.335 19.681 1.00 0.00 H new ATOM 556 N GLY A 35 53.085 52.191 14.583 1.00 0.00 N ATOM 557 CA GLY A 35 54.075 51.456 13.824 1.00 0.00 C ATOM 558 C GLY A 35 54.496 50.107 14.411 1.00 0.00 C ATOM 559 O GLY A 35 55.189 49.350 13.735 1.00 0.00 O ATOM 0 H GLY A 35 52.133 52.046 14.246 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.685 51.288 12.820 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.963 52.079 13.721 1.00 0.00 H new ATOM 563 N ILE A 36 54.060 49.778 15.624 1.00 0.00 N ATOM 564 CA ILE A 36 54.517 48.644 16.403 1.00 0.00 C ATOM 565 C ILE A 36 54.061 47.328 15.770 1.00 0.00 C ATOM 566 O ILE A 36 52.860 47.065 15.757 1.00 0.00 O ATOM 567 CB ILE A 36 54.034 48.742 17.846 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.421 50.054 18.523 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.552 47.566 18.671 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.675 50.326 19.826 1.00 0.00 C ATOM 0 H ILE A 36 53.346 50.323 16.107 1.00 0.00 H new ATOM 0 HA ILE A 36 55.607 48.660 16.409 1.00 0.00 H new ATOM 0 HB ILE A 36 52.945 48.712 17.801 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.492 50.044 18.725 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.235 50.876 17.832 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.195 47.656 19.697 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.189 46.632 18.241 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.642 47.569 18.664 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.007 51.276 20.244 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.604 50.370 19.630 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.881 49.526 20.537 1.00 0.00 H new ATOM 582 N PRO A 37 54.953 46.461 15.301 1.00 0.00 N ATOM 583 CA PRO A 37 54.585 45.183 14.723 1.00 0.00 C ATOM 584 C PRO A 37 53.858 44.270 15.712 1.00 0.00 C ATOM 585 O PRO A 37 54.286 44.186 16.862 1.00 0.00 O ATOM 586 CB PRO A 37 55.884 44.531 14.259 1.00 0.00 C ATOM 587 CG PRO A 37 56.833 45.711 14.073 1.00 0.00 C ATOM 588 CD PRO A 37 56.382 46.661 15.180 1.00 0.00 C ATOM 0 HA PRO A 37 53.886 45.341 13.901 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.263 43.824 14.997 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.745 43.978 13.330 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.876 45.417 14.188 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.736 46.161 13.085 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.890 46.440 16.119 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.614 47.696 14.928 1.00 0.00 H new ATOM 596 N PRO A 38 52.827 43.534 15.309 1.00 0.00 N ATOM 597 CA PRO A 38 52.115 42.599 16.158 1.00 0.00 C ATOM 598 C PRO A 38 52.998 41.566 16.860 1.00 0.00 C ATOM 599 O PRO A 38 52.716 41.202 17.999 1.00 0.00 O ATOM 600 CB PRO A 38 51.111 41.904 15.243 1.00 0.00 C ATOM 601 CG PRO A 38 50.771 42.992 14.228 1.00 0.00 C ATOM 602 CD PRO A 38 52.115 43.694 14.057 1.00 0.00 C ATOM 0 HA PRO A 38 51.652 43.148 16.978 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.541 41.024 14.764 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.229 41.570 15.789 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.406 42.575 13.289 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.001 43.669 14.597 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.678 43.257 13.232 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.974 44.749 13.823 1.00 0.00 H new ATOM 610 N ASP A 39 54.108 41.160 16.251 1.00 0.00 N ATOM 611 CA ASP A 39 55.046 40.225 16.841 1.00 0.00 C ATOM 612 C ASP A 39 55.876 40.796 17.992 1.00 0.00 C ATOM 613 O ASP A 39 56.588 40.036 18.645 1.00 0.00 O ATOM 614 CB ASP A 39 55.925 39.610 15.755 1.00 0.00 C ATOM 615 CG ASP A 39 56.878 40.626 15.122 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.461 41.296 14.153 1.00 0.00 O ATOM 617 OD2 ASP A 39 58.038 40.745 15.571 1.00 0.00 O ATOM 0 H ASP A 39 54.380 41.479 15.321 1.00 0.00 H new ATOM 0 HA ASP A 39 54.446 39.443 17.306 1.00 0.00 H new ATOM 0 HB2 ASP A 39 56.504 38.792 16.182 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.291 39.181 14.980 1.00 0.00 H new ATOM 622 N GLN A 40 55.775 42.087 18.291 1.00 0.00 N ATOM 623 CA GLN A 40 56.324 42.708 19.480 1.00 0.00 C ATOM 624 C GLN A 40 55.286 42.900 20.588 1.00 0.00 C ATOM 625 O GLN A 40 55.659 43.199 21.719 1.00 0.00 O ATOM 626 CB GLN A 40 56.959 44.048 19.125 1.00 0.00 C ATOM 627 CG GLN A 40 58.150 43.919 18.181 1.00 0.00 C ATOM 628 CD GLN A 40 58.704 45.273 17.735 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.506 46.316 18.354 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.414 45.302 16.611 1.00 0.00 N ATOM 0 H GLN A 40 55.290 42.750 17.686 1.00 0.00 H new ATOM 0 HA GLN A 40 57.081 42.027 19.869 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.207 44.688 18.664 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.282 44.543 20.041 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.940 43.354 18.676 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.851 43.347 17.303 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.582 44.440 16.092 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.790 46.186 16.268 1.00 0.00 H new ATOM 639 N GLN A 41 53.999 42.731 20.295 1.00 0.00 N ATOM 640 CA GLN A 41 52.899 43.043 21.185 1.00 0.00 C ATOM 641 C GLN A 41 52.436 41.810 21.963 1.00 0.00 C ATOM 642 O GLN A 41 52.232 40.754 21.369 1.00 0.00 O ATOM 643 CB GLN A 41 51.734 43.619 20.385 1.00 0.00 C ATOM 644 CG GLN A 41 52.022 44.865 19.554 1.00 0.00 C ATOM 645 CD GLN A 41 50.785 45.338 18.787 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.656 45.234 19.261 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.907 45.872 17.576 1.00 0.00 N ATOM 0 H GLN A 41 53.689 42.359 19.397 1.00 0.00 H new ATOM 0 HA GLN A 41 53.251 43.781 21.906 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.364 42.842 19.716 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.927 43.853 21.080 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.372 45.664 20.207 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.827 44.654 18.850 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.830 45.973 17.154 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.078 46.181 17.069 1.00 0.00 H new ATOM 656 N ARG A 42 52.191 41.952 23.263 1.00 0.00 N ATOM 657 CA ARG A 42 51.481 40.987 24.077 1.00 0.00 C ATOM 658 C ARG A 42 50.371 41.681 24.869 1.00 0.00 C ATOM 659 O ARG A 42 50.638 42.636 25.593 1.00 0.00 O ATOM 660 CB ARG A 42 52.446 40.269 25.015 1.00 0.00 C ATOM 661 CG ARG A 42 53.439 39.362 24.293 1.00 0.00 C ATOM 662 CD ARG A 42 54.431 38.746 25.274 1.00 0.00 C ATOM 663 NE ARG A 42 53.791 37.741 26.124 1.00 0.00 N ATOM 664 CZ ARG A 42 54.249 37.219 27.269 1.00 0.00 C ATOM 665 NH1 ARG A 42 55.413 37.603 27.812 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.524 36.284 27.898 1.00 0.00 N ATOM 0 H ARG A 42 52.494 42.771 23.790 1.00 0.00 H new ATOM 0 HA ARG A 42 51.026 40.243 23.423 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.998 41.011 25.592 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.873 39.673 25.726 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.901 38.571 23.770 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.977 39.935 23.538 1.00 0.00 H new ATOM 0 HD2 ARG A 42 55.253 38.288 24.723 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.862 39.529 25.897 1.00 0.00 H new ATOM 0 HE ARG A 42 52.886 37.396 25.805 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.981 38.314 27.351 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.731 37.184 28.686 1.00 0.00 H new ATOM 0 HH21 ARG A 42 52.634 35.978 27.504 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.862 35.878 28.771 1.00 0.00 H new ATOM 680 N LEU A 43 49.127 41.238 24.710 1.00 0.00 N ATOM 681 CA LEU A 43 47.943 41.906 25.212 1.00 0.00 C ATOM 682 C LEU A 43 47.340 41.158 26.402 1.00 0.00 C ATOM 683 O LEU A 43 47.171 39.942 26.351 1.00 0.00 O ATOM 684 CB LEU A 43 46.938 42.089 24.078 1.00 0.00 C ATOM 685 CG LEU A 43 47.227 43.214 23.087 1.00 0.00 C ATOM 686 CD1 LEU A 43 48.464 42.999 22.221 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.047 43.386 22.135 1.00 0.00 C ATOM 0 H LEU A 43 48.915 40.374 24.210 1.00 0.00 H new ATOM 0 HA LEU A 43 48.223 42.892 25.582 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.876 41.153 23.523 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.956 42.265 24.517 1.00 0.00 H new ATOM 0 HG LEU A 43 47.401 44.092 23.710 1.00 0.00 H new ATOM 0 HD11 LEU A 43 48.590 43.848 21.549 1.00 0.00 H new ATOM 0 HD12 LEU A 43 49.343 42.908 22.859 1.00 0.00 H new ATOM 0 HD13 LEU A 43 48.344 42.087 21.636 1.00 0.00 H new ATOM 0 HD21 LEU A 43 46.261 44.190 21.431 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.884 42.458 21.587 1.00 0.00 H new ATOM 0 HD23 LEU A 43 45.152 43.632 22.706 1.00 0.00 H new ATOM 699 N ILE A 44 47.011 41.888 27.465 1.00 0.00 N ATOM 700 CA ILE A 44 46.444 41.383 28.698 1.00 0.00 C ATOM 701 C ILE A 44 45.224 42.213 29.103 1.00 0.00 C ATOM 702 O ILE A 44 45.308 43.435 29.204 1.00 0.00 O ATOM 703 CB ILE A 44 47.475 41.343 29.822 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.728 40.543 29.480 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.879 40.755 31.097 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.862 41.386 28.906 1.00 0.00 C ATOM 0 H ILE A 44 47.142 42.899 27.483 1.00 0.00 H new ATOM 0 HA ILE A 44 46.124 40.356 28.520 1.00 0.00 H new ATOM 0 HB ILE A 44 47.764 42.384 29.969 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.082 40.039 30.379 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.466 39.766 28.762 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.637 40.740 31.880 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.036 41.366 31.420 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.537 39.738 30.903 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.717 40.746 28.689 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.528 41.869 27.988 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.153 42.146 29.631 1.00 0.00 H new ATOM 718 N PHE A 45 44.104 41.562 29.400 1.00 0.00 N ATOM 719 CA PHE A 45 42.935 42.172 30.002 1.00 0.00 C ATOM 720 C PHE A 45 42.366 41.268 31.098 1.00 0.00 C ATOM 721 O PHE A 45 42.392 40.047 30.965 1.00 0.00 O ATOM 722 CB PHE A 45 41.884 42.508 28.948 1.00 0.00 C ATOM 723 CG PHE A 45 40.634 43.126 29.527 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.641 44.463 29.943 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.481 42.353 29.706 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.505 45.025 30.537 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.339 42.914 30.292 1.00 0.00 C ATOM 728 CZ PHE A 45 38.353 44.249 30.712 1.00 0.00 C ATOM 0 H PHE A 45 43.986 40.565 29.221 1.00 0.00 H new ATOM 0 HA PHE A 45 43.237 43.112 30.465 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.316 43.194 28.220 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.616 41.599 28.410 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.528 45.064 29.805 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.472 41.320 29.391 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.517 46.056 30.860 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.448 42.317 30.420 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.476 44.680 31.171 1.00 0.00 H new ATOM 738 N ALA A 46 41.883 41.853 32.191 1.00 0.00 N ATOM 739 CA ALA A 46 41.399 41.175 33.376 1.00 0.00 C ATOM 740 C ALA A 46 42.312 40.049 33.866 1.00 0.00 C ATOM 741 O ALA A 46 41.851 38.991 34.289 1.00 0.00 O ATOM 742 CB ALA A 46 39.937 40.792 33.168 1.00 0.00 C ATOM 0 H ALA A 46 41.818 42.868 32.271 1.00 0.00 H new ATOM 0 HA ALA A 46 41.436 41.865 34.219 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.565 40.281 34.056 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.347 41.691 32.993 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.853 40.130 32.306 1.00 0.00 H new ATOM 748 N GLY A 47 43.624 40.246 33.768 1.00 0.00 N ATOM 749 CA GLY A 47 44.660 39.295 34.118 1.00 0.00 C ATOM 750 C GLY A 47 44.846 38.105 33.176 1.00 0.00 C ATOM 751 O GLY A 47 45.704 37.269 33.451 1.00 0.00 O ATOM 0 H GLY A 47 44.008 41.125 33.422 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.607 39.831 34.180 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.446 38.910 35.115 1.00 0.00 H new ATOM 755 N LYS A 48 44.100 38.009 32.079 1.00 0.00 N ATOM 756 CA LYS A 48 44.206 36.962 31.082 1.00 0.00 C ATOM 757 C LYS A 48 45.132 37.397 29.945 1.00 0.00 C ATOM 758 O LYS A 48 44.925 38.458 29.359 1.00 0.00 O ATOM 759 CB LYS A 48 42.831 36.620 30.516 1.00 0.00 C ATOM 760 CG LYS A 48 41.733 36.278 31.519 1.00 0.00 C ATOM 761 CD LYS A 48 42.028 35.049 32.375 1.00 0.00 C ATOM 762 CE LYS A 48 40.903 34.803 33.375 1.00 0.00 C ATOM 763 NZ LYS A 48 39.685 34.248 32.764 1.00 0.00 N ATOM 0 H LYS A 48 43.375 38.691 31.856 1.00 0.00 H new ATOM 0 HA LYS A 48 44.623 36.078 31.564 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.491 37.465 29.918 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.945 35.775 29.838 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.576 37.134 32.175 1.00 0.00 H new ATOM 0 HG3 LYS A 48 40.801 36.115 30.978 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.149 34.175 31.735 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.969 35.188 32.907 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.257 34.119 34.147 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.656 35.742 33.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.962 34.106 33.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.324 34.909 32.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.906 33.337 32.315 1.00 0.00 H new ATOM 777 N GLN A 49 46.114 36.579 29.578 1.00 0.00 N ATOM 778 CA GLN A 49 46.865 36.749 28.350 1.00 0.00 C ATOM 779 C GLN A 49 45.975 36.361 27.168 1.00 0.00 C ATOM 780 O GLN A 49 45.491 35.233 27.106 1.00 0.00 O ATOM 781 CB GLN A 49 48.148 35.922 28.370 1.00 0.00 C ATOM 782 CG GLN A 49 49.138 36.405 29.426 1.00 0.00 C ATOM 783 CD GLN A 49 50.446 35.613 29.484 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.729 34.699 28.713 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.322 35.962 30.422 1.00 0.00 N ATOM 0 H GLN A 49 46.409 35.775 30.132 1.00 0.00 H new ATOM 0 HA GLN A 49 47.162 37.793 28.250 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.900 34.878 28.560 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.619 35.965 27.388 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.371 37.452 29.234 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.657 36.359 30.403 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.102 36.719 31.069 1.00 0.00 H new ATOM 0 HE22 GLN A 49 52.214 35.473 30.494 1.00 0.00 H new ATOM 794 N LEU A 50 45.699 37.294 26.261 1.00 0.00 N ATOM 795 CA LEU A 50 44.629 37.137 25.297 1.00 0.00 C ATOM 796 C LEU A 50 45.031 36.243 24.122 1.00 0.00 C ATOM 797 O LEU A 50 46.000 36.509 23.414 1.00 0.00 O ATOM 798 CB LEU A 50 44.124 38.498 24.825 1.00 0.00 C ATOM 799 CG LEU A 50 43.703 39.472 25.921 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.124 40.735 25.291 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.661 38.910 26.885 1.00 0.00 C ATOM 0 H LEU A 50 46.211 38.173 26.179 1.00 0.00 H new ATOM 0 HA LEU A 50 43.808 36.628 25.801 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.907 38.968 24.230 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.273 38.338 24.162 1.00 0.00 H new ATOM 0 HG LEU A 50 44.606 39.677 26.496 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.824 41.429 26.076 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.878 41.205 24.660 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.256 40.475 24.686 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.415 39.663 27.634 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.761 38.641 26.332 1.00 0.00 H new ATOM 0 HD23 LEU A 50 43.062 38.025 27.379 1.00 0.00 H new ATOM 813 N GLU A 51 44.243 35.200 23.876 1.00 0.00 N ATOM 814 CA GLU A 51 44.254 34.442 22.641 1.00 0.00 C ATOM 815 C GLU A 51 43.475 35.174 21.548 1.00 0.00 C ATOM 816 O GLU A 51 42.464 35.816 21.826 1.00 0.00 O ATOM 817 CB GLU A 51 43.713 33.033 22.865 1.00 0.00 C ATOM 818 CG GLU A 51 44.648 32.191 23.727 1.00 0.00 C ATOM 819 CD GLU A 51 44.222 30.722 23.736 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.854 29.916 23.020 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.237 30.372 24.422 1.00 0.00 O ATOM 0 H GLU A 51 43.563 34.854 24.553 1.00 0.00 H new ATOM 0 HA GLU A 51 45.287 34.349 22.304 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.735 33.092 23.343 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.568 32.543 21.902 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.667 32.274 23.350 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.653 32.577 24.746 1.00 0.00 H new ATOM 828 N ASP A 52 43.932 35.072 20.303 1.00 0.00 N ATOM 829 CA ASP A 52 43.474 35.894 19.202 1.00 0.00 C ATOM 830 C ASP A 52 42.232 35.371 18.476 1.00 0.00 C ATOM 831 O ASP A 52 41.577 36.158 17.798 1.00 0.00 O ATOM 832 CB ASP A 52 44.612 36.143 18.216 1.00 0.00 C ATOM 833 CG ASP A 52 45.801 36.874 18.840 1.00 0.00 C ATOM 834 OD1 ASP A 52 45.636 37.998 19.363 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.925 36.324 18.829 1.00 0.00 O ATOM 0 H ASP A 52 44.648 34.398 20.032 1.00 0.00 H new ATOM 0 HA ASP A 52 43.159 36.834 19.656 1.00 0.00 H new ATOM 0 HB2 ASP A 52 44.951 35.188 17.814 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.235 36.727 17.376 1.00 0.00 H new ATOM 840 N GLY A 53 41.844 34.109 18.641 1.00 0.00 N ATOM 841 CA GLY A 53 40.656 33.521 18.054 1.00 0.00 C ATOM 842 C GLY A 53 39.331 33.954 18.683 1.00 0.00 C ATOM 843 O GLY A 53 38.407 33.149 18.778 1.00 0.00 O ATOM 0 H GLY A 53 42.373 33.448 19.210 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.634 33.770 16.993 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.735 32.436 18.125 1.00 0.00 H new ATOM 847 N ARG A 54 39.243 35.179 19.194 1.00 0.00 N ATOM 848 CA ARG A 54 38.157 35.733 19.976 1.00 0.00 C ATOM 849 C ARG A 54 37.902 37.196 19.609 1.00 0.00 C ATOM 850 O ARG A 54 38.727 37.825 18.950 1.00 0.00 O ATOM 851 CB ARG A 54 38.514 35.628 21.456 1.00 0.00 C ATOM 852 CG ARG A 54 38.558 34.224 22.050 1.00 0.00 C ATOM 853 CD ARG A 54 37.206 33.520 21.978 1.00 0.00 C ATOM 854 NE ARG A 54 37.271 32.205 22.614 1.00 0.00 N ATOM 855 CZ ARG A 54 36.491 31.146 22.357 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.427 31.214 21.545 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.786 29.978 22.944 1.00 0.00 N ATOM 0 H ARG A 54 39.992 35.858 19.057 1.00 0.00 H new ATOM 0 HA ARG A 54 37.247 35.171 19.764 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.489 36.092 21.605 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.792 36.215 22.023 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.302 33.631 21.519 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.880 34.282 23.090 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.447 34.129 22.469 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.903 33.411 20.937 1.00 0.00 H new ATOM 0 HE ARG A 54 37.987 32.080 23.330 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.184 32.097 21.095 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.860 30.383 21.377 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.589 29.910 23.570 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.208 29.157 22.765 1.00 0.00 H new ATOM 871 N THR A 55 36.789 37.748 20.084 1.00 0.00 N ATOM 872 CA THR A 55 36.484 39.163 20.022 1.00 0.00 C ATOM 873 C THR A 55 36.687 39.863 21.368 1.00 0.00 C ATOM 874 O THR A 55 36.738 39.209 22.407 1.00 0.00 O ATOM 875 CB THR A 55 35.061 39.430 19.540 1.00 0.00 C ATOM 876 OG1 THR A 55 34.128 39.024 20.516 1.00 0.00 O ATOM 877 CG2 THR A 55 34.738 38.722 18.227 1.00 0.00 C ATOM 0 H THR A 55 36.056 37.201 20.535 1.00 0.00 H new ATOM 0 HA THR A 55 37.188 39.574 19.298 1.00 0.00 H new ATOM 0 HB THR A 55 34.992 40.504 19.369 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.971 38.060 20.437 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.713 38.949 17.934 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.422 39.065 17.451 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.848 37.645 18.357 1.00 0.00 H new ATOM 885 N LEU A 56 36.723 41.192 21.360 1.00 0.00 N ATOM 886 CA LEU A 56 36.682 41.999 22.563 1.00 0.00 C ATOM 887 C LEU A 56 35.489 41.651 23.456 1.00 0.00 C ATOM 888 O LEU A 56 35.644 41.540 24.670 1.00 0.00 O ATOM 889 CB LEU A 56 36.651 43.473 22.173 1.00 0.00 C ATOM 890 CG LEU A 56 37.915 43.999 21.498 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.690 45.450 21.085 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.133 43.966 22.417 1.00 0.00 C ATOM 0 H LEU A 56 36.782 41.741 20.503 1.00 0.00 H new ATOM 0 HA LEU A 56 37.578 41.787 23.146 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.807 43.636 21.503 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.465 44.065 23.069 1.00 0.00 H new ATOM 0 HG LEU A 56 38.111 43.352 20.643 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.588 45.834 20.602 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.852 45.505 20.390 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.468 46.049 21.968 1.00 0.00 H new ATOM 0 HD21 LEU A 56 40.002 44.351 21.884 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.943 44.583 23.295 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.325 42.940 22.730 1.00 0.00 H new ATOM 904 N SER A 57 34.316 41.413 22.876 1.00 0.00 N ATOM 905 CA SER A 57 33.139 41.000 23.613 1.00 0.00 C ATOM 906 C SER A 57 33.260 39.634 24.290 1.00 0.00 C ATOM 907 O SER A 57 32.687 39.450 25.361 1.00 0.00 O ATOM 908 CB SER A 57 31.899 41.040 22.725 1.00 0.00 C ATOM 909 OG SER A 57 31.883 40.015 21.757 1.00 0.00 O ATOM 0 H SER A 57 34.161 41.504 21.872 1.00 0.00 H new ATOM 0 HA SER A 57 33.041 41.725 24.421 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.009 40.957 23.349 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.848 42.007 22.224 1.00 0.00 H new ATOM 0 HG SER A 57 32.798 39.832 21.459 1.00 0.00 H new ATOM 915 N ASP A 58 34.045 38.702 23.757 1.00 0.00 N ATOM 916 CA ASP A 58 34.257 37.402 24.363 1.00 0.00 C ATOM 917 C ASP A 58 35.165 37.456 25.593 1.00 0.00 C ATOM 918 O ASP A 58 35.151 36.532 26.404 1.00 0.00 O ATOM 919 CB ASP A 58 34.799 36.420 23.329 1.00 0.00 C ATOM 920 CG ASP A 58 33.801 36.155 22.199 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.674 35.698 22.484 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.152 36.387 21.022 1.00 0.00 O ATOM 0 H ASP A 58 34.555 38.835 22.883 1.00 0.00 H new ATOM 0 HA ASP A 58 33.286 37.053 24.716 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.725 36.813 22.908 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.047 35.479 23.820 1.00 0.00 H new ATOM 927 N TYR A 59 35.912 38.542 25.770 1.00 0.00 N ATOM 928 CA TYR A 59 36.619 38.883 26.988 1.00 0.00 C ATOM 929 C TYR A 59 35.857 39.861 27.884 1.00 0.00 C ATOM 930 O TYR A 59 36.391 40.286 28.906 1.00 0.00 O ATOM 931 CB TYR A 59 38.022 39.378 26.647 1.00 0.00 C ATOM 932 CG TYR A 59 38.904 38.324 26.021 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.403 37.281 26.811 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.250 38.400 24.667 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.240 36.309 26.250 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.097 37.443 24.097 1.00 0.00 C ATOM 937 CZ TYR A 59 40.585 36.382 24.885 1.00 0.00 C ATOM 938 OH TYR A 59 41.391 35.428 24.337 1.00 0.00 O ATOM 0 H TYR A 59 36.043 39.235 25.033 1.00 0.00 H new ATOM 0 HA TYR A 59 36.702 37.975 27.585 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.943 40.224 25.965 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.499 39.745 27.556 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.141 37.226 27.857 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.861 39.203 24.058 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.621 35.505 26.862 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.376 37.518 23.056 1.00 0.00 H new ATOM 0 HH TYR A 59 41.689 35.721 23.451 1.00 0.00 H new ATOM 948 N ASN A 60 34.620 40.212 27.541 1.00 0.00 N ATOM 949 CA ASN A 60 33.791 41.164 28.250 1.00 0.00 C ATOM 950 C ASN A 60 34.423 42.550 28.399 1.00 0.00 C ATOM 951 O ASN A 60 34.248 43.226 29.410 1.00 0.00 O ATOM 952 CB ASN A 60 33.242 40.520 29.520 1.00 0.00 C ATOM 953 CG ASN A 60 32.100 41.296 30.181 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.151 41.646 31.358 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.988 41.520 29.487 1.00 0.00 N ATOM 0 H ASN A 60 34.154 39.819 26.723 1.00 0.00 H new ATOM 0 HA ASN A 60 32.921 41.406 27.639 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.892 39.516 29.281 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.055 40.412 30.238 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.192 41.977 29.932 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.931 41.235 28.509 1.00 0.00 H new ATOM 962 N ILE A 61 35.155 42.994 27.382 1.00 0.00 N ATOM 963 CA ILE A 61 35.682 44.340 27.279 1.00 0.00 C ATOM 964 C ILE A 61 34.540 45.298 26.930 1.00 0.00 C ATOM 965 O ILE A 61 33.632 44.947 26.180 1.00 0.00 O ATOM 966 CB ILE A 61 36.856 44.372 26.306 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.021 43.575 26.886 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.312 45.790 25.974 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.133 43.238 25.895 1.00 0.00 C ATOM 0 H ILE A 61 35.402 42.406 26.586 1.00 0.00 H new ATOM 0 HA ILE A 61 36.089 44.678 28.232 1.00 0.00 H new ATOM 0 HB ILE A 61 36.515 43.922 25.373 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.451 44.140 27.713 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.633 42.646 27.303 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.150 45.749 25.278 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.488 46.340 25.519 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.624 46.295 26.888 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.913 42.671 26.403 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.725 42.642 25.079 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.556 44.160 25.495 1.00 0.00 H new ATOM 981 N GLN A 62 34.559 46.496 27.507 1.00 0.00 N ATOM 982 CA GLN A 62 33.494 47.479 27.469 1.00 0.00 C ATOM 983 C GLN A 62 34.009 48.852 27.031 1.00 0.00 C ATOM 984 O GLN A 62 35.210 49.061 26.880 1.00 0.00 O ATOM 985 CB GLN A 62 32.849 47.537 28.850 1.00 0.00 C ATOM 986 CG GLN A 62 32.084 46.266 29.205 1.00 0.00 C ATOM 987 CD GLN A 62 31.446 46.373 30.592 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.315 46.827 30.751 1.00 0.00 O ATOM 989 NE2 GLN A 62 32.149 45.995 31.656 1.00 0.00 N ATOM 0 H GLN A 62 35.365 46.820 28.042 1.00 0.00 H new ATOM 0 HA GLN A 62 32.750 47.184 26.729 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.622 47.710 29.599 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.169 48.387 28.892 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.310 46.084 28.459 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.760 45.412 29.178 1.00 0.00 H new ATOM 0 HE21 GLN A 62 33.089 45.617 31.538 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.748 46.084 32.590 1.00 0.00 H new ATOM 998 N LYS A 63 33.112 49.820 26.866 1.00 0.00 N ATOM 999 CA LYS A 63 33.482 51.205 26.653 1.00 0.00 C ATOM 1000 C LYS A 63 34.371 51.712 27.790 1.00 0.00 C ATOM 1001 O LYS A 63 34.122 51.420 28.958 1.00 0.00 O ATOM 1002 CB LYS A 63 32.251 52.078 26.421 1.00 0.00 C ATOM 1003 CG LYS A 63 31.355 52.223 27.647 1.00 0.00 C ATOM 1004 CD LYS A 63 30.075 53.008 27.368 1.00 0.00 C ATOM 1005 CE LYS A 63 29.066 52.958 28.510 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.662 53.172 29.837 1.00 0.00 N ATOM 0 H LYS A 63 32.105 49.659 26.877 1.00 0.00 H new ATOM 0 HA LYS A 63 34.075 51.270 25.741 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.575 53.068 26.101 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.666 51.655 25.604 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.092 51.232 28.016 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.913 52.721 28.440 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.333 54.048 27.168 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.608 52.616 26.465 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.300 53.715 28.339 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.566 51.990 28.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.907 53.294 30.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.245 52.349 30.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.257 54.025 29.817 1.00 0.00 H new ATOM 1020 N GLU A 64 35.428 52.442 27.444 1.00 0.00 N ATOM 1021 CA GLU A 64 36.438 52.988 28.328 1.00 0.00 C ATOM 1022 C GLU A 64 37.172 51.977 29.211 1.00 0.00 C ATOM 1023 O GLU A 64 37.866 52.370 30.146 1.00 0.00 O ATOM 1024 CB GLU A 64 35.912 54.218 29.062 1.00 0.00 C ATOM 1025 CG GLU A 64 35.585 55.370 28.116 1.00 0.00 C ATOM 1026 CD GLU A 64 35.089 56.612 28.860 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.805 57.140 29.738 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.983 57.106 28.553 1.00 0.00 O ATOM 0 H GLU A 64 35.608 52.681 26.469 1.00 0.00 H new ATOM 0 HA GLU A 64 37.249 53.322 27.681 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.017 53.947 29.622 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.655 54.549 29.788 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.473 55.626 27.539 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.825 55.048 27.405 1.00 0.00 H new ATOM 1035 N SER A 65 37.102 50.685 28.904 1.00 0.00 N ATOM 1036 CA SER A 65 37.955 49.667 29.485 1.00 0.00 C ATOM 1037 C SER A 65 39.426 49.860 29.111 1.00 0.00 C ATOM 1038 O SER A 65 39.736 50.303 28.007 1.00 0.00 O ATOM 1039 CB SER A 65 37.530 48.277 29.021 1.00 0.00 C ATOM 1040 OG SER A 65 36.302 47.887 29.595 1.00 0.00 O ATOM 0 H SER A 65 36.434 50.314 28.229 1.00 0.00 H new ATOM 0 HA SER A 65 37.847 49.761 30.566 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.443 48.267 27.935 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.301 47.554 29.286 1.00 0.00 H new ATOM 0 HG SER A 65 36.341 46.938 29.838 1.00 0.00 H new ATOM 1046 N THR A 66 40.331 49.450 29.995 1.00 0.00 N ATOM 1047 CA THR A 66 41.766 49.571 29.835 1.00 0.00 C ATOM 1048 C THR A 66 42.449 48.207 29.724 1.00 0.00 C ATOM 1049 O THR A 66 42.474 47.419 30.668 1.00 0.00 O ATOM 1050 CB THR A 66 42.389 50.382 30.967 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.791 51.659 31.003 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.884 50.621 30.777 1.00 0.00 C ATOM 0 H THR A 66 40.068 49.007 30.876 1.00 0.00 H new ATOM 0 HA THR A 66 41.929 50.104 28.898 1.00 0.00 H new ATOM 0 HB THR A 66 42.229 49.807 31.879 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.186 52.185 31.730 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.269 51.203 31.614 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.403 49.663 30.732 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.050 51.167 29.849 1.00 0.00 H new ATOM 1060 N LEU A 67 43.071 47.963 28.575 1.00 0.00 N ATOM 1061 CA LEU A 67 43.861 46.786 28.274 1.00 0.00 C ATOM 1062 C LEU A 67 45.339 47.113 28.497 1.00 0.00 C ATOM 1063 O LEU A 67 45.790 48.199 28.140 1.00 0.00 O ATOM 1064 CB LEU A 67 43.475 46.341 26.867 1.00 0.00 C ATOM 1065 CG LEU A 67 44.189 45.109 26.317 1.00 0.00 C ATOM 1066 CD1 LEU A 67 43.334 44.440 25.244 1.00 0.00 C ATOM 1067 CD2 LEU A 67 45.526 45.439 25.659 1.00 0.00 C ATOM 0 H LEU A 67 43.032 48.617 27.793 1.00 0.00 H new ATOM 0 HA LEU A 67 43.667 45.938 28.931 1.00 0.00 H new ATOM 0 HB2 LEU A 67 42.403 46.147 26.854 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.657 47.172 26.186 1.00 0.00 H new ATOM 0 HG LEU A 67 44.358 44.460 27.176 1.00 0.00 H new ATOM 0 HD11 LEU A 67 43.854 43.563 24.859 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.380 44.137 25.676 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.157 45.143 24.430 1.00 0.00 H new ATOM 0 HD21 LEU A 67 45.985 44.523 25.288 1.00 0.00 H new ATOM 0 HD22 LEU A 67 45.363 46.125 24.828 1.00 0.00 H new ATOM 0 HD23 LEU A 67 46.186 45.905 26.390 1.00 0.00 H new ATOM 1079 N HIS A 68 46.094 46.189 29.083 1.00 0.00 N ATOM 1080 CA HIS A 68 47.514 46.354 29.316 1.00 0.00 C ATOM 1081 C HIS A 68 48.333 45.698 28.201 1.00 0.00 C ATOM 1082 O HIS A 68 48.055 44.580 27.771 1.00 0.00 O ATOM 1083 CB HIS A 68 47.906 45.863 30.707 1.00 0.00 C ATOM 1084 CG HIS A 68 47.261 46.643 31.819 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.592 46.095 32.912 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.218 48.009 31.927 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.160 47.125 33.643 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.515 48.292 33.082 1.00 0.00 N ATOM 0 H HIS A 68 45.727 45.296 29.411 1.00 0.00 H new ATOM 0 HA HIS A 68 47.746 47.419 29.289 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.632 44.812 30.804 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.989 45.921 30.813 1.00 0.00 H new ATOM 0 HD2 HIS A 68 47.650 48.724 31.243 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.600 47.032 34.562 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.303 49.222 33.444 1.00 0.00 H new ATOM 1096 N LEU A 69 49.357 46.412 27.743 1.00 0.00 N ATOM 1097 CA LEU A 69 50.252 46.004 26.679 1.00 0.00 C ATOM 1098 C LEU A 69 51.643 45.740 27.261 1.00 0.00 C ATOM 1099 O LEU A 69 52.309 46.657 27.737 1.00 0.00 O ATOM 1100 CB LEU A 69 50.228 47.089 25.607 1.00 0.00 C ATOM 1101 CG LEU A 69 51.226 46.921 24.463 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.004 45.641 23.661 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.111 48.098 23.500 1.00 0.00 C ATOM 0 H LEU A 69 49.591 47.329 28.123 1.00 0.00 H new ATOM 0 HA LEU A 69 49.939 45.071 26.211 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.224 47.132 25.184 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.413 48.050 26.087 1.00 0.00 H new ATOM 0 HG LEU A 69 52.213 46.872 24.923 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.744 45.579 22.863 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.106 44.777 24.318 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.004 45.652 23.228 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.825 47.973 22.686 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.100 48.138 23.093 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.325 49.025 24.031 1.00 0.00 H new ATOM 1115 N VAL A 70 52.089 44.489 27.189 1.00 0.00 N ATOM 1116 CA VAL A 70 53.463 44.086 27.414 1.00 0.00 C ATOM 1117 C VAL A 70 54.206 44.155 26.078 1.00 0.00 C ATOM 1118 O VAL A 70 53.743 43.615 25.075 1.00 0.00 O ATOM 1119 CB VAL A 70 53.522 42.697 28.043 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.888 42.024 27.954 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.155 42.768 29.523 1.00 0.00 C ATOM 0 H VAL A 70 51.477 43.704 26.964 1.00 0.00 H new ATOM 0 HA VAL A 70 53.949 44.759 28.120 1.00 0.00 H new ATOM 0 HB VAL A 70 52.812 42.103 27.468 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.841 41.042 28.425 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.171 41.912 26.907 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.630 42.637 28.466 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.202 41.770 29.958 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.856 43.422 30.041 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.145 43.163 29.629 1.00 0.00 H new