USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 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 -78:sc= 2.06 USER MOD Set 1.2: A 57 SER OG : rot -37:sc= 0.96 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0923 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.14 K(o=1.2,f=-0.53) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= -0.0961 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.2 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 1.3 (180deg=1.22) USER MOD Single : A 14 THR OG1 : rot -71:sc= 0.401 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.32 (180deg=1.13) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 2.48 (180deg=2.39) USER MOD Single : A 31 GLN : amide:sc= -0.0202 K(o=-0.02,f=-0.53) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 41 GLN : amide:sc= 1.26 K(o=1.3,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 2.17 K(o=2.2,f=-3.7!) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.572 USER MOD Single : A 60 ASN : amide:sc= -0.0365 K(o=-0.037,f=-0.92) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= 1.26 (180deg=1.13) USER MOD Single : A 65 SER OG : rot 71:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.754 51.999 19.697 1.00 0.00 N ATOM 2 CA MET A 1 33.153 52.247 21.091 1.00 0.00 C ATOM 3 C MET A 1 34.655 52.528 21.171 1.00 0.00 C ATOM 4 O MET A 1 35.429 51.951 20.410 1.00 0.00 O ATOM 5 CB MET A 1 32.754 51.123 22.044 1.00 0.00 C ATOM 6 CG MET A 1 33.518 49.812 21.879 1.00 0.00 C ATOM 7 SD MET A 1 33.041 48.559 23.095 1.00 0.00 S ATOM 8 CE MET A 1 34.236 47.243 22.751 1.00 0.00 C ATOM 0 H1 MET A 1 31.751 51.727 19.666 1.00 0.00 H new ATOM 0 H2 MET A 1 32.895 52.863 19.136 1.00 0.00 H new ATOM 0 H3 MET A 1 33.333 51.231 19.301 1.00 0.00 H new ATOM 0 HA MET A 1 32.604 53.129 21.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.889 51.474 23.067 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.691 50.921 21.914 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.346 49.421 20.876 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.587 50.007 21.966 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.060 46.406 23.427 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.121 46.908 21.720 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.247 47.622 22.899 1.00 0.00 H new ATOM 20 N GLN A 2 35.068 53.353 22.128 1.00 0.00 N ATOM 21 CA GLN A 2 36.455 53.622 22.451 1.00 0.00 C ATOM 22 C GLN A 2 36.973 52.623 23.487 1.00 0.00 C ATOM 23 O GLN A 2 36.238 52.289 24.414 1.00 0.00 O ATOM 24 CB GLN A 2 36.583 55.045 22.985 1.00 0.00 C ATOM 25 CG GLN A 2 36.228 56.117 21.959 1.00 0.00 C ATOM 26 CD GLN A 2 36.151 57.519 22.566 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.138 57.727 23.778 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.051 58.560 21.745 1.00 0.00 N ATOM 0 H GLN A 2 34.417 53.870 22.719 1.00 0.00 H new ATOM 0 HA GLN A 2 37.055 53.516 21.547 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.935 55.157 23.854 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.606 55.205 23.327 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.972 56.112 21.163 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.270 55.872 21.501 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.059 58.416 20.735 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.966 59.503 22.125 1.00 0.00 H new ATOM 37 N ILE A 3 38.228 52.193 23.390 1.00 0.00 N ATOM 38 CA ILE A 3 38.941 51.484 24.434 1.00 0.00 C ATOM 39 C ILE A 3 40.422 51.868 24.464 1.00 0.00 C ATOM 40 O ILE A 3 41.042 52.085 23.425 1.00 0.00 O ATOM 41 CB ILE A 3 38.791 49.967 24.367 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.012 49.399 22.968 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.450 49.511 24.933 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.201 47.885 22.939 1.00 0.00 C ATOM 0 H ILE A 3 38.791 52.336 22.551 1.00 0.00 H new ATOM 0 HA ILE A 3 38.469 51.801 25.364 1.00 0.00 H new ATOM 0 HB ILE A 3 39.586 49.563 24.994 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.160 49.661 22.341 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.889 49.873 22.528 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.378 48.425 24.869 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.372 49.819 25.976 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.641 49.963 24.359 1.00 0.00 H new ATOM 0 HD11 ILE A 3 39.352 47.557 21.911 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.071 47.615 23.538 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.315 47.400 23.348 1.00 0.00 H new ATOM 56 N PHE A 4 41.020 51.924 25.650 1.00 0.00 N ATOM 57 CA PHE A 4 42.375 52.396 25.850 1.00 0.00 C ATOM 58 C PHE A 4 43.411 51.269 25.876 1.00 0.00 C ATOM 59 O PHE A 4 43.088 50.136 26.224 1.00 0.00 O ATOM 60 CB PHE A 4 42.449 53.216 27.133 1.00 0.00 C ATOM 61 CG PHE A 4 41.469 54.361 27.230 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.630 55.504 26.439 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.404 54.291 28.139 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.728 56.569 26.547 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.525 55.371 28.275 1.00 0.00 C ATOM 66 CZ PHE A 4 39.680 56.509 27.475 1.00 0.00 C ATOM 0 H PHE A 4 40.561 51.635 26.514 1.00 0.00 H new ATOM 0 HA PHE A 4 42.625 53.020 24.992 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.287 52.549 27.980 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.458 53.615 27.231 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.453 55.565 25.743 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.262 53.402 28.735 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.840 57.437 25.915 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.725 55.326 28.999 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.994 57.338 27.573 1.00 0.00 H new ATOM 76 N VAL A 5 44.667 51.578 25.570 1.00 0.00 N ATOM 77 CA VAL A 5 45.807 50.727 25.845 1.00 0.00 C ATOM 78 C VAL A 5 46.891 51.528 26.569 1.00 0.00 C ATOM 79 O VAL A 5 47.250 52.611 26.114 1.00 0.00 O ATOM 80 CB VAL A 5 46.393 50.069 24.599 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.410 48.989 24.957 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.337 49.421 23.706 1.00 0.00 C ATOM 0 H VAL A 5 44.921 52.453 25.111 1.00 0.00 H new ATOM 0 HA VAL A 5 45.443 49.918 26.479 1.00 0.00 H new ATOM 0 HB VAL A 5 46.869 50.885 24.056 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.805 48.544 24.044 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.226 49.433 25.527 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.926 48.218 25.557 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.820 48.972 22.838 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.809 48.650 24.267 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.627 50.178 23.374 1.00 0.00 H new ATOM 92 N LYS A 6 47.429 50.986 27.658 1.00 0.00 N ATOM 93 CA LYS A 6 48.632 51.476 28.301 1.00 0.00 C ATOM 94 C LYS A 6 49.865 50.840 27.658 1.00 0.00 C ATOM 95 O LYS A 6 49.968 49.616 27.613 1.00 0.00 O ATOM 96 CB LYS A 6 48.586 51.209 29.803 1.00 0.00 C ATOM 97 CG LYS A 6 47.891 52.298 30.615 1.00 0.00 C ATOM 98 CD LYS A 6 48.754 53.541 30.807 1.00 0.00 C ATOM 99 CE LYS A 6 48.080 54.548 31.736 1.00 0.00 C ATOM 100 NZ LYS A 6 48.915 55.744 31.928 1.00 0.00 N ATOM 0 H LYS A 6 47.026 50.174 28.125 1.00 0.00 H new ATOM 0 HA LYS A 6 48.695 52.555 28.162 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.075 50.262 29.976 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.606 51.093 30.171 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.964 52.580 30.116 1.00 0.00 H new ATOM 0 HG3 LYS A 6 47.618 51.897 31.591 1.00 0.00 H new ATOM 0 HD2 LYS A 6 49.721 53.254 31.219 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.945 54.006 29.840 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.115 54.839 31.321 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.884 54.081 32.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.429 56.408 32.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.826 55.468 32.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.081 56.203 31.009 1.00 0.00 H new ATOM 168 N LYS A 11 52.355 55.566 28.434 1.00 0.00 N ATOM 169 CA LYS A 11 51.449 56.382 27.651 1.00 0.00 C ATOM 170 C LYS A 11 50.101 55.671 27.525 1.00 0.00 C ATOM 171 O LYS A 11 50.062 54.442 27.507 1.00 0.00 O ATOM 172 CB LYS A 11 52.083 56.676 26.294 1.00 0.00 C ATOM 173 CG LYS A 11 51.295 57.648 25.421 1.00 0.00 C ATOM 174 CD LYS A 11 51.947 57.881 24.060 1.00 0.00 C ATOM 175 CE LYS A 11 51.900 56.620 23.203 1.00 0.00 C ATOM 176 NZ LYS A 11 52.586 56.787 21.913 1.00 0.00 N ATOM 0 HA LYS A 11 51.267 57.337 28.144 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.082 57.081 26.455 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.203 55.737 25.753 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.286 57.262 25.274 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.199 58.601 25.941 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.437 58.694 23.544 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.983 58.192 24.198 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.358 55.796 23.750 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.860 56.345 23.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.689 55.860 21.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.028 57.418 21.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.527 57.201 22.071 1.00 0.00 H new ATOM 190 N THR A 12 49.002 56.412 27.414 1.00 0.00 N ATOM 191 CA THR A 12 47.714 55.875 27.026 1.00 0.00 C ATOM 192 C THR A 12 47.440 56.212 25.559 1.00 0.00 C ATOM 193 O THR A 12 47.496 57.378 25.174 1.00 0.00 O ATOM 194 CB THR A 12 46.576 56.388 27.904 1.00 0.00 C ATOM 195 OG1 THR A 12 46.837 56.195 29.276 1.00 0.00 O ATOM 196 CG2 THR A 12 45.285 55.626 27.615 1.00 0.00 C ATOM 0 H THR A 12 48.988 57.416 27.595 1.00 0.00 H new ATOM 0 HA THR A 12 47.755 54.794 27.161 1.00 0.00 H new ATOM 0 HB THR A 12 46.483 57.450 27.676 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.086 56.538 29.803 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.487 56.008 28.252 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.010 55.760 26.569 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.435 54.566 27.818 1.00 0.00 H new ATOM 204 N ILE A 13 47.114 55.208 24.750 1.00 0.00 N ATOM 205 CA ILE A 13 46.563 55.380 23.421 1.00 0.00 C ATOM 206 C ILE A 13 45.076 55.018 23.417 1.00 0.00 C ATOM 207 O ILE A 13 44.648 54.114 24.132 1.00 0.00 O ATOM 208 CB ILE A 13 47.349 54.635 22.347 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.334 53.121 22.541 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.771 55.184 22.270 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.071 52.328 21.465 1.00 0.00 C ATOM 0 H ILE A 13 47.231 54.229 25.013 1.00 0.00 H new ATOM 0 HA ILE A 13 46.658 56.434 23.158 1.00 0.00 H new ATOM 0 HB ILE A 13 46.852 54.811 21.393 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.776 52.889 23.510 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.298 52.784 22.575 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.327 54.648 21.501 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.739 56.245 22.021 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.264 55.052 23.233 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.005 51.263 21.689 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.617 52.523 20.494 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.118 52.630 21.443 1.00 0.00 H new ATOM 223 N THR A 14 44.293 55.715 22.599 1.00 0.00 N ATOM 224 CA THR A 14 42.853 55.578 22.507 1.00 0.00 C ATOM 225 C THR A 14 42.477 54.941 21.168 1.00 0.00 C ATOM 226 O THR A 14 42.669 55.559 20.124 1.00 0.00 O ATOM 227 CB THR A 14 42.171 56.932 22.680 1.00 0.00 C ATOM 228 OG1 THR A 14 42.603 57.572 23.860 1.00 0.00 O ATOM 229 CG2 THR A 14 40.654 56.803 22.775 1.00 0.00 C ATOM 0 H THR A 14 44.664 56.417 21.959 1.00 0.00 H new ATOM 0 HA THR A 14 42.507 54.928 23.310 1.00 0.00 H new ATOM 0 HB THR A 14 42.442 57.513 21.799 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.231 57.108 24.639 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.212 57.792 22.897 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.270 56.344 21.864 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.395 56.181 23.632 1.00 0.00 H new ATOM 237 N LEU A 15 41.947 53.721 21.186 1.00 0.00 N ATOM 238 CA LEU A 15 41.538 52.979 20.011 1.00 0.00 C ATOM 239 C LEU A 15 40.016 52.991 19.852 1.00 0.00 C ATOM 240 O LEU A 15 39.299 53.204 20.827 1.00 0.00 O ATOM 241 CB LEU A 15 42.054 51.545 20.084 1.00 0.00 C ATOM 242 CG LEU A 15 43.545 51.373 20.361 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.890 49.888 20.345 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.434 52.084 19.345 1.00 0.00 C ATOM 0 H LEU A 15 41.787 53.209 22.054 1.00 0.00 H new ATOM 0 HA LEU A 15 41.971 53.465 19.137 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.499 51.022 20.863 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.823 51.050 19.141 1.00 0.00 H new ATOM 0 HG LEU A 15 43.736 51.822 21.336 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.954 49.760 20.542 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.314 49.372 21.113 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.649 49.469 19.368 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.481 51.921 19.601 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.238 51.687 18.349 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.219 53.153 19.358 1.00 0.00 H new ATOM 256 N GLU A 16 39.524 52.712 18.649 1.00 0.00 N ATOM 257 CA GLU A 16 38.109 52.640 18.347 1.00 0.00 C ATOM 258 C GLU A 16 37.736 51.336 17.639 1.00 0.00 C ATOM 259 O GLU A 16 38.396 50.912 16.692 1.00 0.00 O ATOM 260 CB GLU A 16 37.695 53.889 17.574 1.00 0.00 C ATOM 261 CG GLU A 16 36.195 53.973 17.306 1.00 0.00 C ATOM 262 CD GLU A 16 35.833 55.354 16.756 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.345 55.720 15.675 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.071 56.089 17.419 1.00 0.00 O ATOM 0 H GLU A 16 40.118 52.526 17.841 1.00 0.00 H new ATOM 0 HA GLU A 16 37.544 52.621 19.279 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.006 54.772 18.133 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.227 53.910 16.623 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.902 53.202 16.594 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.643 53.784 18.226 1.00 0.00 H new ATOM 271 N VAL A 17 36.718 50.651 18.152 1.00 0.00 N ATOM 272 CA VAL A 17 36.363 49.274 17.870 1.00 0.00 C ATOM 273 C VAL A 17 34.852 49.054 17.953 1.00 0.00 C ATOM 274 O VAL A 17 34.099 49.959 18.305 1.00 0.00 O ATOM 275 CB VAL A 17 37.062 48.340 18.855 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.584 48.437 18.819 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.591 48.577 20.287 1.00 0.00 C ATOM 0 H VAL A 17 36.078 51.078 18.822 1.00 0.00 H new ATOM 0 HA VAL A 17 36.688 49.053 16.853 1.00 0.00 H new ATOM 0 HB VAL A 17 36.783 47.338 18.530 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.010 47.745 19.545 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.941 48.182 17.821 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.890 49.454 19.065 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.111 47.894 20.959 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.808 49.605 20.576 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.517 48.401 20.351 1.00 0.00 H new ATOM 287 N GLU A 18 34.400 47.824 17.721 1.00 0.00 N ATOM 288 CA GLU A 18 33.083 47.336 18.074 1.00 0.00 C ATOM 289 C GLU A 18 33.211 46.119 18.993 1.00 0.00 C ATOM 290 O GLU A 18 34.271 45.498 18.988 1.00 0.00 O ATOM 291 CB GLU A 18 32.305 46.953 16.819 1.00 0.00 C ATOM 292 CG GLU A 18 32.197 48.035 15.749 1.00 0.00 C ATOM 293 CD GLU A 18 31.556 49.334 16.242 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.576 49.288 17.017 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.980 50.421 15.792 1.00 0.00 O ATOM 0 H GLU A 18 34.972 47.115 17.262 1.00 0.00 H new ATOM 0 HA GLU A 18 32.544 48.128 18.594 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.776 46.076 16.376 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.298 46.659 17.114 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.194 48.255 15.368 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.614 47.648 14.913 1.00 0.00 H new ATOM 302 N PRO A 19 32.194 45.702 19.742 1.00 0.00 N ATOM 303 CA PRO A 19 32.252 44.504 20.555 1.00 0.00 C ATOM 304 C PRO A 19 32.553 43.220 19.779 1.00 0.00 C ATOM 305 O PRO A 19 33.212 42.327 20.307 1.00 0.00 O ATOM 306 CB PRO A 19 30.908 44.422 21.272 1.00 0.00 C ATOM 307 CG PRO A 19 30.450 45.876 21.335 1.00 0.00 C ATOM 308 CD PRO A 19 30.978 46.440 20.019 1.00 0.00 C ATOM 0 HA PRO A 19 33.090 44.580 21.247 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.198 43.801 20.725 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.010 43.989 22.267 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.365 45.958 21.407 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.867 46.397 22.197 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.250 46.313 19.217 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.177 47.508 20.102 1.00 0.00 H new ATOM 316 N SER A 20 32.142 43.139 18.516 1.00 0.00 N ATOM 317 CA SER A 20 32.497 42.060 17.617 1.00 0.00 C ATOM 318 C SER A 20 33.902 42.164 17.020 1.00 0.00 C ATOM 319 O SER A 20 34.294 41.258 16.288 1.00 0.00 O ATOM 320 CB SER A 20 31.498 41.946 16.469 1.00 0.00 C ATOM 321 OG SER A 20 30.187 41.707 16.932 1.00 0.00 O ATOM 0 H SER A 20 31.540 43.841 18.086 1.00 0.00 H new ATOM 0 HA SER A 20 32.475 41.170 18.246 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.514 42.864 15.882 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.801 41.137 15.804 1.00 0.00 H new ATOM 0 HG SER A 20 29.577 41.642 16.168 1.00 0.00 H new ATOM 327 N ASP A 21 34.668 43.226 17.253 1.00 0.00 N ATOM 328 CA ASP A 21 35.967 43.385 16.630 1.00 0.00 C ATOM 329 C ASP A 21 37.019 42.452 17.235 1.00 0.00 C ATOM 330 O ASP A 21 36.930 42.056 18.394 1.00 0.00 O ATOM 331 CB ASP A 21 36.406 44.846 16.620 1.00 0.00 C ATOM 332 CG ASP A 21 37.450 45.147 15.542 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.538 44.388 14.552 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.126 46.195 15.617 1.00 0.00 O ATOM 0 H ASP A 21 34.404 43.991 17.874 1.00 0.00 H new ATOM 0 HA ASP A 21 35.867 43.081 15.588 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.534 45.481 16.462 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.815 45.104 17.597 1.00 0.00 H new ATOM 339 N THR A 22 38.004 42.066 16.427 1.00 0.00 N ATOM 340 CA THR A 22 38.883 40.951 16.716 1.00 0.00 C ATOM 341 C THR A 22 40.192 41.353 17.397 1.00 0.00 C ATOM 342 O THR A 22 40.662 42.481 17.266 1.00 0.00 O ATOM 343 CB THR A 22 39.169 40.078 15.497 1.00 0.00 C ATOM 344 OG1 THR A 22 40.087 40.685 14.616 1.00 0.00 O ATOM 345 CG2 THR A 22 37.908 39.738 14.706 1.00 0.00 C ATOM 0 H THR A 22 38.211 42.530 15.543 1.00 0.00 H new ATOM 0 HA THR A 22 38.317 40.355 17.432 1.00 0.00 H new ATOM 0 HB THR A 22 39.595 39.160 15.902 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.245 40.094 13.850 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.172 39.116 13.851 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.211 39.198 15.347 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.440 40.658 14.355 1.00 0.00 H new ATOM 353 N ILE A 23 40.828 40.410 18.088 1.00 0.00 N ATOM 354 CA ILE A 23 42.095 40.648 18.750 1.00 0.00 C ATOM 355 C ILE A 23 43.218 40.918 17.745 1.00 0.00 C ATOM 356 O ILE A 23 44.051 41.781 18.009 1.00 0.00 O ATOM 357 CB ILE A 23 42.396 39.518 19.731 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.361 39.399 20.846 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.787 39.665 20.340 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.007 40.676 21.602 1.00 0.00 C ATOM 0 H ILE A 23 40.474 39.460 18.201 1.00 0.00 H new ATOM 0 HA ILE A 23 42.024 41.562 19.340 1.00 0.00 H new ATOM 0 HB ILE A 23 42.352 38.602 19.143 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.445 38.995 20.416 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.724 38.667 21.568 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.969 38.844 21.034 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.535 39.643 19.548 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.852 40.613 20.874 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.262 40.452 22.365 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.902 41.078 22.076 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.603 41.411 20.906 1.00 0.00 H new ATOM 372 N GLU A 24 43.221 40.304 16.565 1.00 0.00 N ATOM 373 CA GLU A 24 44.188 40.641 15.540 1.00 0.00 C ATOM 374 C GLU A 24 43.978 42.043 14.966 1.00 0.00 C ATOM 375 O GLU A 24 44.945 42.736 14.663 1.00 0.00 O ATOM 376 CB GLU A 24 44.181 39.638 14.390 1.00 0.00 C ATOM 377 CG GLU A 24 44.255 38.173 14.811 1.00 0.00 C ATOM 378 CD GLU A 24 42.861 37.542 14.785 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.094 37.694 15.760 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.522 36.899 13.767 1.00 0.00 O ATOM 0 H GLU A 24 42.562 39.571 16.301 1.00 0.00 H new ATOM 0 HA GLU A 24 45.154 40.609 16.043 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.274 39.787 13.804 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.024 39.855 13.734 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.921 37.628 14.141 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.678 38.096 15.813 1.00 0.00 H new ATOM 387 N ASN A 25 42.728 42.486 14.852 1.00 0.00 N ATOM 388 CA ASN A 25 42.399 43.841 14.458 1.00 0.00 C ATOM 389 C ASN A 25 42.833 44.852 15.521 1.00 0.00 C ATOM 390 O ASN A 25 43.417 45.878 15.176 1.00 0.00 O ATOM 391 CB ASN A 25 40.908 43.948 14.152 1.00 0.00 C ATOM 392 CG ASN A 25 40.490 43.302 12.830 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.288 42.782 12.053 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.194 43.338 12.532 1.00 0.00 N ATOM 0 H ASN A 25 41.911 41.903 15.034 1.00 0.00 H new ATOM 0 HA ASN A 25 42.952 44.083 13.550 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.348 43.483 14.963 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.627 45.001 14.133 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.860 42.933 11.657 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.534 43.770 13.178 1.00 0.00 H new ATOM 401 N VAL A 26 42.642 44.560 16.804 1.00 0.00 N ATOM 402 CA VAL A 26 43.138 45.378 17.892 1.00 0.00 C ATOM 403 C VAL A 26 44.665 45.472 17.863 1.00 0.00 C ATOM 404 O VAL A 26 45.199 46.577 17.934 1.00 0.00 O ATOM 405 CB VAL A 26 42.616 44.891 19.240 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.286 45.572 20.430 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.118 45.165 19.348 1.00 0.00 C ATOM 0 H VAL A 26 42.130 43.735 17.116 1.00 0.00 H new ATOM 0 HA VAL A 26 42.753 46.388 17.752 1.00 0.00 H new ATOM 0 HB VAL A 26 42.842 43.825 19.277 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.868 45.179 21.357 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.358 45.377 20.404 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.111 46.647 20.380 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.753 44.814 20.313 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.937 46.236 19.259 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.594 44.640 18.549 1.00 0.00 H new ATOM 417 N LYS A 27 45.389 44.374 17.667 1.00 0.00 N ATOM 418 CA LYS A 27 46.834 44.391 17.573 1.00 0.00 C ATOM 419 C LYS A 27 47.341 45.183 16.366 1.00 0.00 C ATOM 420 O LYS A 27 48.330 45.904 16.469 1.00 0.00 O ATOM 421 CB LYS A 27 47.373 42.965 17.612 1.00 0.00 C ATOM 422 CG LYS A 27 47.201 42.316 18.982 1.00 0.00 C ATOM 423 CD LYS A 27 47.523 40.825 18.971 1.00 0.00 C ATOM 424 CE LYS A 27 47.216 40.215 20.336 1.00 0.00 C ATOM 425 NZ LYS A 27 47.343 38.750 20.317 1.00 0.00 N ATOM 0 H LYS A 27 44.981 43.444 17.569 1.00 0.00 H new ATOM 0 HA LYS A 27 47.223 44.924 18.441 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.859 42.365 16.861 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.430 42.972 17.346 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.848 42.818 19.701 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.175 42.460 19.321 1.00 0.00 H new ATOM 0 HD2 LYS A 27 46.938 40.324 18.200 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.574 40.673 18.724 1.00 0.00 H new ATOM 0 HE2 LYS A 27 47.895 40.630 21.081 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.205 40.489 20.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 46.791 38.344 21.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 46.985 38.382 19.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.343 38.487 20.426 1.00 0.00 H new ATOM 439 N ALA A 28 46.637 45.132 15.238 1.00 0.00 N ATOM 440 CA ALA A 28 46.914 45.975 14.093 1.00 0.00 C ATOM 441 C ALA A 28 46.634 47.455 14.361 1.00 0.00 C ATOM 442 O ALA A 28 47.448 48.302 14.000 1.00 0.00 O ATOM 443 CB ALA A 28 46.134 45.452 12.891 1.00 0.00 C ATOM 0 H ALA A 28 45.852 44.496 15.098 1.00 0.00 H new ATOM 0 HA ALA A 28 47.982 45.924 13.879 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.337 46.081 12.024 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.440 44.428 12.676 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.067 45.473 13.113 1.00 0.00 H new ATOM 449 N LYS A 29 45.542 47.780 15.047 1.00 0.00 N ATOM 450 CA LYS A 29 45.177 49.115 15.475 1.00 0.00 C ATOM 451 C LYS A 29 46.162 49.706 16.486 1.00 0.00 C ATOM 452 O LYS A 29 46.350 50.921 16.494 1.00 0.00 O ATOM 453 CB LYS A 29 43.753 49.122 16.023 1.00 0.00 C ATOM 454 CG LYS A 29 42.683 49.065 14.936 1.00 0.00 C ATOM 455 CD LYS A 29 41.289 48.869 15.525 1.00 0.00 C ATOM 456 CE LYS A 29 40.229 48.902 14.428 1.00 0.00 C ATOM 457 NZ LYS A 29 38.877 48.764 14.990 1.00 0.00 N ATOM 0 H LYS A 29 44.857 47.079 15.331 1.00 0.00 H new ATOM 0 HA LYS A 29 45.223 49.759 14.597 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.625 48.271 16.692 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.606 50.022 16.620 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.706 49.987 14.354 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.906 48.249 14.249 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.243 47.917 16.053 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.085 49.650 16.258 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.302 49.839 13.876 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.414 48.097 13.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.174 48.858 14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.781 47.830 15.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.719 49.506 15.701 1.00 0.00 H new ATOM 471 N ILE A 30 46.827 48.882 17.290 1.00 0.00 N ATOM 472 CA ILE A 30 47.935 49.286 18.133 1.00 0.00 C ATOM 473 C ILE A 30 49.142 49.682 17.279 1.00 0.00 C ATOM 474 O ILE A 30 49.673 50.771 17.484 1.00 0.00 O ATOM 475 CB ILE A 30 48.269 48.224 19.178 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.151 48.137 20.212 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.595 48.510 19.877 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.226 46.925 21.137 1.00 0.00 C ATOM 0 H ILE A 30 46.600 47.891 17.372 1.00 0.00 H new ATOM 0 HA ILE A 30 47.635 50.170 18.695 1.00 0.00 H new ATOM 0 HB ILE A 30 48.364 47.271 18.657 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.167 49.042 20.820 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.194 48.120 19.691 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.794 47.730 20.612 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.398 48.528 19.140 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.541 49.476 20.378 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.391 46.949 21.837 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.177 46.011 20.544 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.164 46.948 21.691 1.00 0.00 H new ATOM 490 N GLN A 31 49.553 48.892 16.291 1.00 0.00 N ATOM 491 CA GLN A 31 50.662 49.239 15.426 1.00 0.00 C ATOM 492 C GLN A 31 50.425 50.553 14.678 1.00 0.00 C ATOM 493 O GLN A 31 51.338 51.361 14.531 1.00 0.00 O ATOM 494 CB GLN A 31 50.944 48.102 14.448 1.00 0.00 C ATOM 495 CG GLN A 31 52.236 48.335 13.671 1.00 0.00 C ATOM 496 CD GLN A 31 52.575 47.208 12.692 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.727 46.450 12.227 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.837 47.071 12.295 1.00 0.00 N ATOM 0 H GLN A 31 49.122 47.994 16.072 1.00 0.00 H new ATOM 0 HA GLN A 31 51.537 49.389 16.059 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.012 47.161 14.994 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.112 48.007 13.751 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.154 49.272 13.119 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.058 48.451 14.377 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.559 47.689 12.667 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.083 46.348 11.618 1.00 0.00 H new ATOM 507 N ASP A 32 49.187 50.799 14.256 1.00 0.00 N ATOM 508 CA ASP A 32 48.726 52.003 13.594 1.00 0.00 C ATOM 509 C ASP A 32 48.835 53.290 14.414 1.00 0.00 C ATOM 510 O ASP A 32 48.731 54.372 13.842 1.00 0.00 O ATOM 511 CB ASP A 32 47.307 51.686 13.133 1.00 0.00 C ATOM 512 CG ASP A 32 46.508 52.862 12.568 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.498 53.232 13.203 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.806 53.346 11.454 1.00 0.00 O ATOM 0 H ASP A 32 48.438 50.117 14.378 1.00 0.00 H new ATOM 0 HA ASP A 32 49.382 52.242 12.757 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.359 50.908 12.371 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.756 51.270 13.977 1.00 0.00 H new ATOM 519 N LYS A 33 49.096 53.220 15.717 1.00 0.00 N ATOM 520 CA LYS A 33 49.416 54.354 16.559 1.00 0.00 C ATOM 521 C LYS A 33 50.782 54.283 17.246 1.00 0.00 C ATOM 522 O LYS A 33 51.457 55.303 17.368 1.00 0.00 O ATOM 523 CB LYS A 33 48.326 54.578 17.602 1.00 0.00 C ATOM 524 CG LYS A 33 46.959 54.907 17.009 1.00 0.00 C ATOM 525 CD LYS A 33 46.051 55.536 18.063 1.00 0.00 C ATOM 526 CE LYS A 33 44.627 55.820 17.592 1.00 0.00 C ATOM 527 NZ LYS A 33 44.578 56.728 16.437 1.00 0.00 N ATOM 0 H LYS A 33 49.088 52.337 16.227 1.00 0.00 H new ATOM 0 HA LYS A 33 49.470 55.201 15.875 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.238 53.683 18.218 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.630 55.391 18.262 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.077 55.591 16.168 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.498 53.999 16.619 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.008 54.873 18.927 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.501 56.470 18.399 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.142 54.880 17.330 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.057 56.254 18.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.588 56.885 16.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.015 57.637 16.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.097 56.305 15.641 1.00 0.00 H new ATOM 541 N GLU A 34 51.193 53.101 17.698 1.00 0.00 N ATOM 542 CA GLU A 34 52.338 52.865 18.552 1.00 0.00 C ATOM 543 C GLU A 34 53.526 52.215 17.840 1.00 0.00 C ATOM 544 O GLU A 34 54.604 52.104 18.420 1.00 0.00 O ATOM 545 CB GLU A 34 51.840 52.042 19.737 1.00 0.00 C ATOM 546 CG GLU A 34 52.798 51.783 20.897 1.00 0.00 C ATOM 547 CD GLU A 34 53.406 53.040 21.520 1.00 0.00 C ATOM 548 OE1 GLU A 34 54.464 52.912 22.175 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.834 54.143 21.390 1.00 0.00 O ATOM 0 H GLU A 34 50.704 52.238 17.461 1.00 0.00 H new ATOM 0 HA GLU A 34 52.744 53.820 18.885 1.00 0.00 H new ATOM 0 HB2 GLU A 34 50.958 52.541 20.140 1.00 0.00 H new ATOM 0 HB3 GLU A 34 51.513 51.075 19.355 1.00 0.00 H new ATOM 0 HG2 GLU A 34 52.267 51.231 21.672 1.00 0.00 H new ATOM 0 HG3 GLU A 34 53.606 51.141 20.546 1.00 0.00 H new ATOM 556 N GLY A 35 53.368 51.777 16.594 1.00 0.00 N ATOM 557 CA GLY A 35 54.460 51.334 15.750 1.00 0.00 C ATOM 558 C GLY A 35 55.063 49.965 16.069 1.00 0.00 C ATOM 559 O GLY A 35 55.910 49.499 15.311 1.00 0.00 O ATOM 0 H GLY A 35 52.457 51.721 16.139 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.108 51.319 14.718 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.255 52.077 15.805 1.00 0.00 H new ATOM 563 N ILE A 36 54.626 49.296 17.133 1.00 0.00 N ATOM 564 CA ILE A 36 55.069 47.976 17.530 1.00 0.00 C ATOM 565 C ILE A 36 54.419 46.876 16.687 1.00 0.00 C ATOM 566 O ILE A 36 53.193 46.807 16.654 1.00 0.00 O ATOM 567 CB ILE A 36 54.897 47.774 19.033 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.426 46.404 19.445 1.00 0.00 C ATOM 569 CG2 ILE A 36 53.476 48.010 19.536 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.553 46.187 20.951 1.00 0.00 C ATOM 0 H ILE A 36 53.924 49.682 17.764 1.00 0.00 H new ATOM 0 HA ILE A 36 56.137 47.899 17.327 1.00 0.00 H new ATOM 0 HB ILE A 36 55.493 48.546 19.519 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.766 45.639 19.037 1.00 0.00 H new ATOM 0 HG13 ILE A 36 56.405 46.257 18.988 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.439 47.846 20.613 1.00 0.00 H new ATOM 0 HG22 ILE A 36 53.177 49.035 19.315 1.00 0.00 H new ATOM 0 HG23 ILE A 36 52.795 47.318 19.040 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.937 45.185 21.143 1.00 0.00 H new ATOM 0 HD12 ILE A 36 56.239 46.924 21.368 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.574 46.297 21.418 1.00 0.00 H new ATOM 582 N PRO A 37 55.171 46.008 16.016 1.00 0.00 N ATOM 583 CA PRO A 37 54.620 44.910 15.248 1.00 0.00 C ATOM 584 C PRO A 37 53.781 43.950 16.094 1.00 0.00 C ATOM 585 O PRO A 37 54.196 43.624 17.205 1.00 0.00 O ATOM 586 CB PRO A 37 55.802 44.180 14.618 1.00 0.00 C ATOM 587 CG PRO A 37 56.864 45.273 14.531 1.00 0.00 C ATOM 588 CD PRO A 37 56.603 46.075 15.802 1.00 0.00 C ATOM 0 HA PRO A 37 53.937 45.302 14.494 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.133 43.342 15.231 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.553 43.778 13.636 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.873 44.860 14.510 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.750 45.882 13.634 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.146 45.656 16.649 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.935 47.107 15.690 1.00 0.00 H new ATOM 596 N PRO A 38 52.651 43.442 15.612 1.00 0.00 N ATOM 597 CA PRO A 38 51.804 42.526 16.348 1.00 0.00 C ATOM 598 C PRO A 38 52.490 41.271 16.891 1.00 0.00 C ATOM 599 O PRO A 38 52.117 40.789 17.958 1.00 0.00 O ATOM 600 CB PRO A 38 50.688 42.139 15.382 1.00 0.00 C ATOM 601 CG PRO A 38 50.533 43.385 14.515 1.00 0.00 C ATOM 602 CD PRO A 38 51.976 43.867 14.401 1.00 0.00 C ATOM 0 HA PRO A 38 51.458 43.032 17.249 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.954 41.265 14.788 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.765 41.897 15.909 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.101 43.154 13.541 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.889 44.130 14.981 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.458 43.443 13.520 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.015 44.951 14.295 1.00 0.00 H new ATOM 610 N ASP A 39 53.526 40.768 16.225 1.00 0.00 N ATOM 611 CA ASP A 39 54.302 39.626 16.666 1.00 0.00 C ATOM 612 C ASP A 39 55.180 39.893 17.890 1.00 0.00 C ATOM 613 O ASP A 39 55.689 38.947 18.488 1.00 0.00 O ATOM 614 CB ASP A 39 55.106 39.091 15.483 1.00 0.00 C ATOM 615 CG ASP A 39 55.995 40.154 14.836 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.511 40.853 13.919 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.179 40.275 15.216 1.00 0.00 O ATOM 0 H ASP A 39 53.853 41.158 15.341 1.00 0.00 H new ATOM 0 HA ASP A 39 53.601 38.866 17.012 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.727 38.261 15.819 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.420 38.694 14.735 1.00 0.00 H new ATOM 622 N GLN A 40 55.312 41.148 18.306 1.00 0.00 N ATOM 623 CA GLN A 40 55.954 41.572 19.535 1.00 0.00 C ATOM 624 C GLN A 40 54.972 42.024 20.617 1.00 0.00 C ATOM 625 O GLN A 40 55.406 42.336 21.723 1.00 0.00 O ATOM 626 CB GLN A 40 56.957 42.679 19.228 1.00 0.00 C ATOM 627 CG GLN A 40 58.167 42.194 18.434 1.00 0.00 C ATOM 628 CD GLN A 40 59.045 43.381 18.036 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.044 43.820 16.888 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.796 43.956 18.971 1.00 0.00 N ATOM 0 H GLN A 40 54.954 41.934 17.763 1.00 0.00 H new ATOM 0 HA GLN A 40 56.465 40.700 19.943 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.456 43.468 18.668 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.299 43.120 20.164 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.745 41.489 19.031 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.837 41.661 17.542 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.795 43.589 19.923 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.373 44.764 18.736 1.00 0.00 H new ATOM 639 N GLN A 41 53.666 42.043 20.363 1.00 0.00 N ATOM 640 CA GLN A 41 52.667 42.478 21.318 1.00 0.00 C ATOM 641 C GLN A 41 52.118 41.308 22.137 1.00 0.00 C ATOM 642 O GLN A 41 51.695 40.307 21.564 1.00 0.00 O ATOM 643 CB GLN A 41 51.516 43.185 20.606 1.00 0.00 C ATOM 644 CG GLN A 41 51.881 44.453 19.841 1.00 0.00 C ATOM 645 CD GLN A 41 50.675 45.012 19.082 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.526 44.845 19.484 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.846 45.676 17.943 1.00 0.00 N ATOM 0 H GLN A 41 53.272 41.750 19.469 1.00 0.00 H new ATOM 0 HA GLN A 41 53.156 43.174 22.000 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.060 42.482 19.909 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.757 43.437 21.347 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.256 45.204 20.536 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.687 44.238 19.139 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.786 45.833 17.580 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.037 46.029 17.432 1.00 0.00 H new ATOM 656 N ARG A 42 52.036 41.450 23.456 1.00 0.00 N ATOM 657 CA ARG A 42 51.314 40.583 24.366 1.00 0.00 C ATOM 658 C ARG A 42 50.343 41.450 25.171 1.00 0.00 C ATOM 659 O ARG A 42 50.771 42.406 25.814 1.00 0.00 O ATOM 660 CB ARG A 42 52.333 39.836 25.220 1.00 0.00 C ATOM 661 CG ARG A 42 51.776 38.987 26.358 1.00 0.00 C ATOM 662 CD ARG A 42 52.920 38.394 27.175 1.00 0.00 C ATOM 663 NE ARG A 42 52.436 37.571 28.283 1.00 0.00 N ATOM 664 CZ ARG A 42 52.996 37.405 29.489 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.125 38.021 29.864 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.431 36.596 30.395 1.00 0.00 N ATOM 0 H ARG A 42 52.500 42.218 23.941 1.00 0.00 H new ATOM 0 HA ARG A 42 50.719 39.828 23.853 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.917 39.189 24.566 1.00 0.00 H new ATOM 0 HB3 ARG A 42 53.022 40.566 25.645 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.138 39.596 26.999 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.153 38.188 25.956 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.554 37.790 26.525 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.541 39.200 27.567 1.00 0.00 H new ATOM 0 HE ARG A 42 51.568 37.062 28.118 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.600 38.652 29.219 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.509 37.859 30.795 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.568 36.101 30.169 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.864 36.475 31.311 1.00 0.00 H new ATOM 680 N LEU A 43 49.046 41.159 25.110 1.00 0.00 N ATOM 681 CA LEU A 43 48.002 41.995 25.670 1.00 0.00 C ATOM 682 C LEU A 43 47.323 41.334 26.871 1.00 0.00 C ATOM 683 O LEU A 43 46.817 40.219 26.752 1.00 0.00 O ATOM 684 CB LEU A 43 46.976 42.352 24.598 1.00 0.00 C ATOM 685 CG LEU A 43 47.497 43.078 23.362 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.324 43.382 22.432 1.00 0.00 C ATOM 687 CD2 LEU A 43 48.200 44.392 23.689 1.00 0.00 C ATOM 0 H LEU A 43 48.690 40.316 24.659 1.00 0.00 H new ATOM 0 HA LEU A 43 48.470 42.911 26.029 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.491 41.432 24.272 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.207 42.973 25.057 1.00 0.00 H new ATOM 0 HG LEU A 43 48.228 42.419 22.893 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.688 43.901 21.545 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.844 42.450 22.135 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.602 44.012 22.951 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.547 44.858 22.767 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.504 45.061 24.195 1.00 0.00 H new ATOM 0 HD23 LEU A 43 49.052 44.196 24.340 1.00 0.00 H new ATOM 699 N ILE A 44 47.278 42.039 27.997 1.00 0.00 N ATOM 700 CA ILE A 44 46.746 41.571 29.260 1.00 0.00 C ATOM 701 C ILE A 44 45.561 42.431 29.707 1.00 0.00 C ATOM 702 O ILE A 44 45.597 43.656 29.626 1.00 0.00 O ATOM 703 CB ILE A 44 47.842 41.511 30.320 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.107 40.769 29.897 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.320 40.915 31.625 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.956 39.284 29.584 1.00 0.00 C ATOM 0 H ILE A 44 47.629 42.995 28.050 1.00 0.00 H new ATOM 0 HA ILE A 44 46.372 40.556 29.123 1.00 0.00 H new ATOM 0 HB ILE A 44 48.130 42.552 30.466 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.513 41.263 29.014 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.846 40.876 30.691 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.125 40.886 32.359 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.504 41.530 32.005 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.958 39.903 31.444 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.924 38.873 29.296 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.587 38.762 30.467 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.249 39.155 28.765 1.00 0.00 H new ATOM 718 N PHE A 45 44.509 41.783 30.198 1.00 0.00 N ATOM 719 CA PHE A 45 43.313 42.390 30.746 1.00 0.00 C ATOM 720 C PHE A 45 42.705 41.500 31.832 1.00 0.00 C ATOM 721 O PHE A 45 42.449 40.324 31.586 1.00 0.00 O ATOM 722 CB PHE A 45 42.322 42.613 29.607 1.00 0.00 C ATOM 723 CG PHE A 45 40.941 43.053 30.029 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.709 44.375 30.431 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.884 42.136 30.028 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.430 44.773 30.839 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.602 42.533 30.425 1.00 0.00 C ATOM 728 CZ PHE A 45 38.375 43.852 30.833 1.00 0.00 C ATOM 0 H PHE A 45 44.472 40.764 30.223 1.00 0.00 H new ATOM 0 HA PHE A 45 43.560 43.345 31.210 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.733 43.363 28.931 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.232 41.687 29.039 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.519 45.089 30.426 1.00 0.00 H new ATOM 0 HD2 PHE A 45 40.059 41.116 29.719 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.257 45.790 31.158 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.789 41.822 30.416 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.387 44.160 31.143 1.00 0.00 H new ATOM 738 N ALA A 46 42.450 42.036 33.022 1.00 0.00 N ATOM 739 CA ALA A 46 41.839 41.345 34.141 1.00 0.00 C ATOM 740 C ALA A 46 42.463 39.986 34.461 1.00 0.00 C ATOM 741 O ALA A 46 41.771 39.011 34.748 1.00 0.00 O ATOM 742 CB ALA A 46 40.327 41.329 33.941 1.00 0.00 C ATOM 0 H ALA A 46 42.676 43.007 33.237 1.00 0.00 H new ATOM 0 HA ALA A 46 42.052 41.901 35.054 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.855 40.812 34.776 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.956 42.353 33.891 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.088 40.811 33.012 1.00 0.00 H new ATOM 748 N GLY A 47 43.788 39.892 34.384 1.00 0.00 N ATOM 749 CA GLY A 47 44.559 38.682 34.591 1.00 0.00 C ATOM 750 C GLY A 47 44.525 37.659 33.454 1.00 0.00 C ATOM 751 O GLY A 47 45.213 36.646 33.555 1.00 0.00 O ATOM 0 H GLY A 47 44.375 40.697 34.165 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.597 38.963 34.769 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.200 38.198 35.499 1.00 0.00 H new ATOM 755 N LYS A 48 43.772 37.912 32.387 1.00 0.00 N ATOM 756 CA LYS A 48 43.676 37.111 31.183 1.00 0.00 C ATOM 757 C LYS A 48 44.577 37.663 30.076 1.00 0.00 C ATOM 758 O LYS A 48 44.765 38.873 29.975 1.00 0.00 O ATOM 759 CB LYS A 48 42.235 37.046 30.684 1.00 0.00 C ATOM 760 CG LYS A 48 41.201 36.530 31.681 1.00 0.00 C ATOM 761 CD LYS A 48 41.423 35.094 32.147 1.00 0.00 C ATOM 762 CE LYS A 48 41.143 34.079 31.042 1.00 0.00 C ATOM 763 NZ LYS A 48 41.353 32.695 31.495 1.00 0.00 N ATOM 0 H LYS A 48 43.175 38.738 32.344 1.00 0.00 H new ATOM 0 HA LYS A 48 44.010 36.105 31.437 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.937 38.045 30.367 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.207 36.409 29.800 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.200 37.184 32.553 1.00 0.00 H new ATOM 0 HG3 LYS A 48 40.212 36.601 31.228 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.451 34.980 32.490 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.777 34.887 33.000 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.116 34.195 30.696 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.791 34.283 30.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.152 32.039 30.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 42.340 32.576 31.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.716 32.490 32.291 1.00 0.00 H new ATOM 777 N GLN A 49 45.079 36.784 29.214 1.00 0.00 N ATOM 778 CA GLN A 49 45.811 37.146 28.016 1.00 0.00 C ATOM 779 C GLN A 49 44.911 37.085 26.780 1.00 0.00 C ATOM 780 O GLN A 49 44.184 36.111 26.603 1.00 0.00 O ATOM 781 CB GLN A 49 47.029 36.234 27.897 1.00 0.00 C ATOM 782 CG GLN A 49 47.952 36.631 26.749 1.00 0.00 C ATOM 783 CD GLN A 49 49.252 35.827 26.827 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.123 36.093 27.653 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.406 34.782 26.021 1.00 0.00 N ATOM 0 H GLN A 49 44.983 35.776 29.337 1.00 0.00 H new ATOM 0 HA GLN A 49 46.154 38.178 28.085 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.588 36.258 28.832 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.696 35.207 27.751 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.458 36.450 25.794 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.170 37.698 26.798 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.686 34.557 25.334 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.244 34.204 26.089 1.00 0.00 H new ATOM 794 N LEU A 50 44.960 38.103 25.926 1.00 0.00 N ATOM 795 CA LEU A 50 44.101 38.217 24.765 1.00 0.00 C ATOM 796 C LEU A 50 44.702 37.497 23.555 1.00 0.00 C ATOM 797 O LEU A 50 45.717 37.913 23.002 1.00 0.00 O ATOM 798 CB LEU A 50 43.786 39.678 24.463 1.00 0.00 C ATOM 799 CG LEU A 50 43.239 40.501 25.627 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.950 41.925 25.161 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.948 39.930 26.208 1.00 0.00 C ATOM 0 H LEU A 50 45.611 38.882 26.028 1.00 0.00 H new ATOM 0 HA LEU A 50 43.157 37.721 24.992 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.696 40.158 24.101 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.062 39.712 23.649 1.00 0.00 H new ATOM 0 HG LEU A 50 44.004 40.478 26.403 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.560 42.509 25.995 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.870 42.382 24.797 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.213 41.903 24.358 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.610 40.559 27.031 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.181 39.903 25.434 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.130 38.920 26.574 1.00 0.00 H new ATOM 813 N GLU A 51 44.058 36.406 23.150 1.00 0.00 N ATOM 814 CA GLU A 51 44.480 35.538 22.070 1.00 0.00 C ATOM 815 C GLU A 51 43.809 35.837 20.729 1.00 0.00 C ATOM 816 O GLU A 51 42.755 36.464 20.641 1.00 0.00 O ATOM 817 CB GLU A 51 44.296 34.071 22.450 1.00 0.00 C ATOM 818 CG GLU A 51 45.210 33.612 23.583 1.00 0.00 C ATOM 819 CD GLU A 51 46.703 33.743 23.276 1.00 0.00 C ATOM 820 OE1 GLU A 51 47.119 33.721 22.097 1.00 0.00 O ATOM 821 OE2 GLU A 51 47.502 33.826 24.234 1.00 0.00 O ATOM 0 H GLU A 51 43.191 36.095 23.589 1.00 0.00 H new ATOM 0 HA GLU A 51 45.540 35.745 21.924 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.259 33.908 22.743 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.481 33.451 21.572 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.982 34.193 24.477 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.988 32.570 23.815 1.00 0.00 H new ATOM 828 N ASP A 52 44.437 35.357 19.659 1.00 0.00 N ATOM 829 CA ASP A 52 44.067 35.621 18.283 1.00 0.00 C ATOM 830 C ASP A 52 42.968 34.659 17.831 1.00 0.00 C ATOM 831 O ASP A 52 42.885 33.521 18.288 1.00 0.00 O ATOM 832 CB ASP A 52 45.305 35.555 17.393 1.00 0.00 C ATOM 833 CG ASP A 52 46.495 36.306 17.995 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.502 37.556 17.996 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.411 35.642 18.526 1.00 0.00 O ATOM 0 H ASP A 52 45.252 34.748 19.737 1.00 0.00 H new ATOM 0 HA ASP A 52 43.657 36.628 18.200 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.580 34.512 17.233 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.070 35.976 16.415 1.00 0.00 H new ATOM 840 N GLY A 53 42.081 35.121 16.954 1.00 0.00 N ATOM 841 CA GLY A 53 40.885 34.415 16.544 1.00 0.00 C ATOM 842 C GLY A 53 39.646 34.742 17.380 1.00 0.00 C ATOM 843 O GLY A 53 38.548 34.313 17.031 1.00 0.00 O ATOM 0 H GLY A 53 42.184 36.028 16.498 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.678 34.650 15.500 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.073 33.343 16.598 1.00 0.00 H new ATOM 847 N ARG A 54 39.783 35.505 18.461 1.00 0.00 N ATOM 848 CA ARG A 54 38.719 35.918 19.353 1.00 0.00 C ATOM 849 C ARG A 54 38.256 37.356 19.106 1.00 0.00 C ATOM 850 O ARG A 54 38.966 38.138 18.478 1.00 0.00 O ATOM 851 CB ARG A 54 39.194 35.736 20.792 1.00 0.00 C ATOM 852 CG ARG A 54 39.554 34.318 21.226 1.00 0.00 C ATOM 853 CD ARG A 54 38.364 33.371 21.343 1.00 0.00 C ATOM 854 NE ARG A 54 37.958 32.786 20.064 1.00 0.00 N ATOM 855 CZ ARG A 54 38.393 31.639 19.528 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.369 30.905 20.078 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.862 31.170 18.390 1.00 0.00 N ATOM 0 H ARG A 54 40.692 35.868 18.748 1.00 0.00 H new ATOM 0 HA ARG A 54 37.848 35.291 19.159 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.068 36.369 20.943 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.413 36.106 21.456 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.264 33.902 20.511 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.061 34.364 22.190 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.614 32.569 22.038 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.520 33.912 21.771 1.00 0.00 H new ATOM 0 HE ARG A 54 37.269 33.309 19.523 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.814 31.214 20.942 1.00 0.00 H new ATOM 0 HH12 ARG A 54 39.667 30.037 19.633 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.118 31.688 17.923 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.202 30.295 17.991 1.00 0.00 H new ATOM 871 N THR A 55 37.097 37.714 19.652 1.00 0.00 N ATOM 872 CA THR A 55 36.582 39.067 19.684 1.00 0.00 C ATOM 873 C THR A 55 36.652 39.688 21.080 1.00 0.00 C ATOM 874 O THR A 55 36.782 38.982 22.079 1.00 0.00 O ATOM 875 CB THR A 55 35.154 39.180 19.159 1.00 0.00 C ATOM 876 OG1 THR A 55 34.237 38.649 20.089 1.00 0.00 O ATOM 877 CG2 THR A 55 34.932 38.471 17.825 1.00 0.00 C ATOM 0 H THR A 55 36.474 37.041 20.098 1.00 0.00 H new ATOM 0 HA THR A 55 37.237 39.624 19.014 1.00 0.00 H new ATOM 0 HB THR A 55 34.991 40.247 19.007 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.248 37.670 20.037 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.894 38.595 17.515 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.590 38.902 17.070 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.153 37.409 17.936 1.00 0.00 H new ATOM 885 N LEU A 56 36.495 41.006 21.162 1.00 0.00 N ATOM 886 CA LEU A 56 36.399 41.721 22.419 1.00 0.00 C ATOM 887 C LEU A 56 35.225 41.256 23.283 1.00 0.00 C ATOM 888 O LEU A 56 35.376 41.131 24.495 1.00 0.00 O ATOM 889 CB LEU A 56 36.312 43.216 22.123 1.00 0.00 C ATOM 890 CG LEU A 56 37.592 43.814 21.546 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.308 45.233 21.061 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.706 43.895 22.586 1.00 0.00 C ATOM 0 H LEU A 56 36.431 41.610 20.343 1.00 0.00 H new ATOM 0 HA LEU A 56 37.293 41.506 23.005 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.495 43.390 21.423 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.060 43.743 23.043 1.00 0.00 H new ATOM 0 HG LEU A 56 37.916 43.165 20.732 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.219 45.665 20.648 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.537 45.207 20.291 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.965 45.842 21.898 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.598 44.327 22.131 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.383 44.522 23.417 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.934 42.894 22.953 1.00 0.00 H new ATOM 904 N SER A 57 34.089 40.918 22.679 1.00 0.00 N ATOM 905 CA SER A 57 32.944 40.349 23.362 1.00 0.00 C ATOM 906 C SER A 57 33.225 38.986 23.998 1.00 0.00 C ATOM 907 O SER A 57 32.703 38.697 25.072 1.00 0.00 O ATOM 908 CB SER A 57 31.740 40.262 22.428 1.00 0.00 C ATOM 909 OG SER A 57 31.898 39.272 21.437 1.00 0.00 O ATOM 0 H SER A 57 33.941 41.037 21.677 1.00 0.00 H new ATOM 0 HA SER A 57 32.717 41.031 24.182 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.845 40.047 23.012 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.584 41.229 21.950 1.00 0.00 H new ATOM 0 HG SER A 57 32.831 39.254 21.139 1.00 0.00 H new ATOM 915 N ASP A 58 34.094 38.172 23.405 1.00 0.00 N ATOM 916 CA ASP A 58 34.507 36.897 23.956 1.00 0.00 C ATOM 917 C ASP A 58 35.386 37.033 25.201 1.00 0.00 C ATOM 918 O ASP A 58 35.577 36.055 25.921 1.00 0.00 O ATOM 919 CB ASP A 58 35.220 36.051 22.905 1.00 0.00 C ATOM 920 CG ASP A 58 34.343 35.752 21.687 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.256 35.158 21.856 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.743 36.109 20.557 1.00 0.00 O ATOM 0 H ASP A 58 34.536 38.390 22.512 1.00 0.00 H new ATOM 0 HA ASP A 58 33.590 36.395 24.265 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.122 36.570 22.579 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.538 35.112 23.357 1.00 0.00 H new ATOM 927 N TYR A 59 35.904 38.226 25.477 1.00 0.00 N ATOM 928 CA TYR A 59 36.632 38.576 26.680 1.00 0.00 C ATOM 929 C TYR A 59 35.871 39.501 27.633 1.00 0.00 C ATOM 930 O TYR A 59 36.404 39.809 28.697 1.00 0.00 O ATOM 931 CB TYR A 59 37.999 39.135 26.301 1.00 0.00 C ATOM 932 CG TYR A 59 38.976 38.085 25.830 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.584 37.245 26.772 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.292 37.971 24.471 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.511 36.281 26.361 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.233 37.023 24.054 1.00 0.00 C ATOM 937 CZ TYR A 59 40.838 36.167 24.995 1.00 0.00 C ATOM 938 OH TYR A 59 41.730 35.227 24.568 1.00 0.00 O ATOM 0 H TYR A 59 35.820 39.011 24.831 1.00 0.00 H new ATOM 0 HA TYR A 59 36.762 37.658 27.254 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.872 39.879 25.514 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.422 39.651 27.163 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.336 37.342 27.819 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.811 38.612 23.747 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.973 35.628 27.086 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.496 36.948 23.009 1.00 0.00 H new ATOM 0 HH TYR A 59 41.291 34.625 23.932 1.00 0.00 H new ATOM 948 N ASN A 60 34.644 39.906 27.317 1.00 0.00 N ATOM 949 CA ASN A 60 33.847 40.800 28.131 1.00 0.00 C ATOM 950 C ASN A 60 34.544 42.131 28.424 1.00 0.00 C ATOM 951 O ASN A 60 34.668 42.569 29.565 1.00 0.00 O ATOM 952 CB ASN A 60 33.317 40.045 29.346 1.00 0.00 C ATOM 953 CG ASN A 60 32.261 40.813 30.144 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.810 41.901 29.796 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.831 40.227 31.259 1.00 0.00 N ATOM 0 H ASN A 60 34.170 39.610 26.464 1.00 0.00 H new ATOM 0 HA ASN A 60 32.973 41.122 27.566 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.890 39.098 29.015 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.152 39.805 30.004 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.121 40.682 31.833 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.212 39.323 31.540 1.00 0.00 H new ATOM 962 N ILE A 61 35.022 42.774 27.362 1.00 0.00 N ATOM 963 CA ILE A 61 35.585 44.109 27.381 1.00 0.00 C ATOM 964 C ILE A 61 34.494 45.113 27.006 1.00 0.00 C ATOM 965 O ILE A 61 33.776 44.895 26.031 1.00 0.00 O ATOM 966 CB ILE A 61 36.805 44.158 26.466 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.928 43.287 27.022 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.315 45.582 26.264 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.962 42.871 25.980 1.00 0.00 C ATOM 0 H ILE A 61 35.025 42.358 26.431 1.00 0.00 H new ATOM 0 HA ILE A 61 35.936 44.379 28.377 1.00 0.00 H new ATOM 0 HB ILE A 61 36.490 43.773 25.496 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.431 43.828 27.823 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.494 42.391 27.466 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.184 45.567 25.606 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.530 46.189 25.814 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.596 46.008 27.227 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.727 42.255 26.452 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.473 42.301 25.190 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.426 43.760 25.552 1.00 0.00 H new ATOM 981 N GLN A 62 34.383 46.205 27.757 1.00 0.00 N ATOM 982 CA GLN A 62 33.397 47.249 27.567 1.00 0.00 C ATOM 983 C GLN A 62 34.013 48.597 27.187 1.00 0.00 C ATOM 984 O GLN A 62 35.202 48.819 27.405 1.00 0.00 O ATOM 985 CB GLN A 62 32.509 47.374 28.801 1.00 0.00 C ATOM 986 CG GLN A 62 33.229 47.902 30.038 1.00 0.00 C ATOM 987 CD GLN A 62 32.281 48.233 31.194 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.471 49.155 31.128 1.00 0.00 O ATOM 989 NE2 GLN A 62 32.375 47.539 32.324 1.00 0.00 N ATOM 0 H GLN A 62 35.005 46.388 28.544 1.00 0.00 H new ATOM 0 HA GLN A 62 32.782 46.952 26.718 1.00 0.00 H new ATOM 0 HB2 GLN A 62 31.675 48.036 28.569 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.085 46.396 29.031 1.00 0.00 H new ATOM 0 HG2 GLN A 62 33.954 47.160 30.373 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.790 48.797 29.769 1.00 0.00 H new ATOM 0 HE21 GLN A 62 33.042 46.770 32.397 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.780 47.775 33.118 1.00 0.00 H new ATOM 998 N LYS A 63 33.184 49.519 26.707 1.00 0.00 N ATOM 999 CA LYS A 63 33.472 50.922 26.487 1.00 0.00 C ATOM 1000 C LYS A 63 34.390 51.526 27.552 1.00 0.00 C ATOM 1001 O LYS A 63 34.113 51.460 28.747 1.00 0.00 O ATOM 1002 CB LYS A 63 32.140 51.664 26.446 1.00 0.00 C ATOM 1003 CG LYS A 63 32.243 53.164 26.190 1.00 0.00 C ATOM 1004 CD LYS A 63 30.853 53.793 26.171 1.00 0.00 C ATOM 1005 CE LYS A 63 30.850 55.260 25.750 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.336 56.170 26.799 1.00 0.00 N ATOM 0 H LYS A 63 32.227 49.283 26.445 1.00 0.00 H new ATOM 0 HA LYS A 63 34.013 51.022 25.546 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.518 51.220 25.668 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.625 51.507 27.394 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.851 53.631 26.965 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.745 53.344 25.239 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.217 53.227 25.490 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.412 53.708 27.164 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.471 55.377 24.862 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.837 55.548 25.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.922 57.114 26.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.057 55.805 27.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.373 56.236 26.748 1.00 0.00 H new ATOM 1020 N GLU A 64 35.493 52.124 27.110 1.00 0.00 N ATOM 1021 CA GLU A 64 36.496 52.806 27.901 1.00 0.00 C ATOM 1022 C GLU A 64 37.185 51.964 28.977 1.00 0.00 C ATOM 1023 O GLU A 64 37.798 52.490 29.903 1.00 0.00 O ATOM 1024 CB GLU A 64 35.984 54.174 28.346 1.00 0.00 C ATOM 1025 CG GLU A 64 35.955 55.147 27.171 1.00 0.00 C ATOM 1026 CD GLU A 64 35.242 56.454 27.524 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.897 57.467 27.851 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.995 56.478 27.428 1.00 0.00 O ATOM 0 H GLU A 64 35.719 52.142 26.116 1.00 0.00 H new ATOM 0 HA GLU A 64 37.345 52.990 27.242 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.983 54.074 28.767 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.624 54.568 29.135 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.975 55.365 26.856 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.453 54.678 26.325 1.00 0.00 H new ATOM 1035 N SER A 65 37.163 50.643 28.829 1.00 0.00 N ATOM 1036 CA SER A 65 38.133 49.763 29.451 1.00 0.00 C ATOM 1037 C SER A 65 39.555 50.102 29.000 1.00 0.00 C ATOM 1038 O SER A 65 39.760 50.579 27.886 1.00 0.00 O ATOM 1039 CB SER A 65 37.886 48.300 29.096 1.00 0.00 C ATOM 1040 OG SER A 65 36.595 47.884 29.482 1.00 0.00 O ATOM 0 H SER A 65 36.464 50.154 28.269 1.00 0.00 H new ATOM 0 HA SER A 65 38.022 49.910 30.525 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.008 48.160 28.022 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.632 47.675 29.586 1.00 0.00 H new ATOM 0 HG SER A 65 35.928 48.307 28.902 1.00 0.00 H new ATOM 1046 N THR A 66 40.545 49.798 29.834 1.00 0.00 N ATOM 1047 CA THR A 66 41.953 49.856 29.495 1.00 0.00 C ATOM 1048 C THR A 66 42.545 48.448 29.400 1.00 0.00 C ATOM 1049 O THR A 66 42.291 47.605 30.258 1.00 0.00 O ATOM 1050 CB THR A 66 42.749 50.690 30.494 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.166 51.966 30.631 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.198 50.911 30.073 1.00 0.00 C ATOM 0 H THR A 66 40.378 49.495 30.794 1.00 0.00 H new ATOM 0 HA THR A 66 42.027 50.342 28.522 1.00 0.00 H new ATOM 0 HB THR A 66 42.732 50.127 31.427 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.682 52.494 31.275 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.708 51.511 30.826 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.699 49.948 29.975 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.223 51.432 29.116 1.00 0.00 H new ATOM 1060 N LEU A 67 43.361 48.210 28.378 1.00 0.00 N ATOM 1061 CA LEU A 67 44.177 47.029 28.187 1.00 0.00 C ATOM 1062 C LEU A 67 45.640 47.369 28.482 1.00 0.00 C ATOM 1063 O LEU A 67 46.050 48.514 28.300 1.00 0.00 O ATOM 1064 CB LEU A 67 44.006 46.497 26.767 1.00 0.00 C ATOM 1065 CG LEU A 67 42.586 46.419 26.214 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.616 45.845 24.801 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.659 45.552 27.060 1.00 0.00 C ATOM 0 H LEU A 67 43.473 48.881 27.618 1.00 0.00 H new ATOM 0 HA LEU A 67 43.859 46.246 28.875 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.594 47.126 26.098 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.439 45.497 26.727 1.00 0.00 H new ATOM 0 HG LEU A 67 42.196 47.437 26.225 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.600 45.791 24.409 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.219 46.488 24.160 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.050 44.846 24.823 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.665 45.538 26.613 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.051 44.536 27.104 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.597 45.962 28.068 1.00 0.00 H new ATOM 1079 N HIS A 68 46.452 46.402 28.895 1.00 0.00 N ATOM 1080 CA HIS A 68 47.863 46.613 29.150 1.00 0.00 C ATOM 1081 C HIS A 68 48.721 45.877 28.118 1.00 0.00 C ATOM 1082 O HIS A 68 48.502 44.696 27.861 1.00 0.00 O ATOM 1083 CB HIS A 68 48.205 46.221 30.585 1.00 0.00 C ATOM 1084 CG HIS A 68 47.548 47.118 31.597 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.079 48.307 32.096 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.293 46.945 32.122 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.134 48.847 32.870 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.057 48.046 32.922 1.00 0.00 N ATOM 0 H HIS A 68 46.142 45.445 29.062 1.00 0.00 H new ATOM 0 HA HIS A 68 48.090 47.674 29.042 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.895 45.191 30.761 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.286 46.256 30.720 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.624 46.115 31.946 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.223 49.794 33.382 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.209 48.221 33.461 1.00 0.00 H new ATOM 1096 N LEU A 69 49.691 46.576 27.535 1.00 0.00 N ATOM 1097 CA LEU A 69 50.660 46.024 26.610 1.00 0.00 C ATOM 1098 C LEU A 69 51.940 45.634 27.352 1.00 0.00 C ATOM 1099 O LEU A 69 52.510 46.446 28.077 1.00 0.00 O ATOM 1100 CB LEU A 69 50.923 47.052 25.513 1.00 0.00 C ATOM 1101 CG LEU A 69 52.030 46.705 24.521 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.717 45.484 23.661 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.282 47.884 23.586 1.00 0.00 C ATOM 0 H LEU A 69 49.823 47.573 27.703 1.00 0.00 H new ATOM 0 HA LEU A 69 50.273 45.115 26.150 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.998 47.204 24.956 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.171 48.003 25.985 1.00 0.00 H new ATOM 0 HG LEU A 69 52.908 46.476 25.125 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.547 45.296 22.980 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.570 44.615 24.302 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.810 45.667 23.085 1.00 0.00 H new ATOM 0 HD21 LEU A 69 53.073 47.627 22.882 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.369 48.115 23.037 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.584 48.753 24.170 1.00 0.00 H new ATOM 1115 N VAL A 70 52.424 44.419 27.102 1.00 0.00 N ATOM 1116 CA VAL A 70 53.758 43.946 27.407 1.00 0.00 C ATOM 1117 C VAL A 70 54.353 43.276 26.168 1.00 0.00 C ATOM 1118 O VAL A 70 53.670 43.087 25.164 1.00 0.00 O ATOM 1119 CB VAL A 70 53.784 43.045 28.639 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.594 43.859 29.916 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.732 41.939 28.616 1.00 0.00 C ATOM 0 H VAL A 70 51.855 43.701 26.654 1.00 0.00 H new ATOM 0 HA VAL A 70 54.384 44.799 27.667 1.00 0.00 H new ATOM 0 HB VAL A 70 54.766 42.573 28.622 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.617 43.193 30.779 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.396 44.592 30.003 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.634 44.374 29.880 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.813 41.341 29.524 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.738 42.383 28.561 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.893 41.302 27.746 1.00 0.00 H new