USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -106:sc= 0.0591 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.668 X(o=-0.67,f=-0.79) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -157:sc= -3.29! (180deg=-5.23!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0352 USER MOD Single : A 18 CYS SG : rot 180:sc= 0.00116 USER MOD Single : A 19 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.64) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -138:sc= 0.0141 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -149:sc= -0.472 (180deg=-0.674) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.679 K(o=-0.68,f=-2.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.467 X(o=0.47,f=-0.029) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0654 USER MOD Single : A 51 TYR OH : rot 128:sc= -1.58 USER MOD Single : A 52 GLN : amide:sc= -0.0552 K(o=-0.055,f=-1.8!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.017) USER MOD Single : A 64 HIS : no HD1:sc= -2.73 K(o=-2.7,f=-3.6) USER MOD Single : A 66 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.013) USER MOD Single : A 68 MET CE :methyl 156:sc= -3.95 (180deg=-7!) USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= -0.515 (180deg=-0.849) USER MOD Single : A 76 SER OG : rot -49:sc= 0.404 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.348 0.405 -9.312 1.00 61.25 N ATOM 2 CA ALA A 1 4.963 1.370 -8.410 1.00 41.43 C ATOM 3 C ALA A 1 5.662 0.670 -7.250 1.00 61.11 C ATOM 4 O ALA A 1 5.357 -0.478 -6.930 1.00 75.15 O ATOM 5 CB ALA A 1 3.918 2.345 -7.888 1.00 51.14 C ATOM 0 H1 ALA A 1 4.909 0.339 -10.185 1.00 61.25 H new ATOM 0 H2 ALA A 1 4.313 -0.527 -8.852 1.00 61.25 H new ATOM 0 H3 ALA A 1 3.382 0.713 -9.544 1.00 61.25 H new ATOM 0 HA ALA A 1 5.715 1.926 -8.971 1.00 41.43 H new ATOM 0 HB1 ALA A 1 4.391 3.060 -7.215 1.00 51.14 H new ATOM 0 HB2 ALA A 1 3.467 2.878 -8.725 1.00 51.14 H new ATOM 0 HB3 ALA A 1 3.146 1.796 -7.349 1.00 51.14 H new ATOM 11 N GLY A 2 6.603 1.369 -6.623 1.00 2.22 N ATOM 12 CA GLY A 2 7.331 0.797 -5.505 1.00 44.34 C ATOM 13 C GLY A 2 6.569 0.907 -4.200 1.00 23.13 C ATOM 14 O GLY A 2 5.393 1.270 -4.188 1.00 34.13 O ATOM 0 H GLY A 2 6.874 2.321 -6.869 1.00 2.22 H new ATOM 0 HA2 GLY A 2 7.542 -0.252 -5.712 1.00 44.34 H new ATOM 0 HA3 GLY A 2 8.292 1.302 -5.405 1.00 44.34 H new ATOM 18 N HIS A 3 7.240 0.591 -3.096 1.00 61.14 N ATOM 19 CA HIS A 3 6.618 0.655 -1.779 1.00 32.33 C ATOM 20 C HIS A 3 7.052 1.913 -1.033 1.00 50.02 C ATOM 21 O HIS A 3 6.273 2.501 -0.283 1.00 45.23 O ATOM 22 CB HIS A 3 6.977 -0.586 -0.961 1.00 63.21 C ATOM 23 CG HIS A 3 8.429 -0.666 -0.601 1.00 71.51 C ATOM 24 ND1 HIS A 3 8.904 -0.418 0.669 1.00 21.03 N ATOM 25 CD2 HIS A 3 9.512 -0.972 -1.353 1.00 40.44 C ATOM 26 CE1 HIS A 3 10.217 -0.565 0.682 1.00 31.04 C ATOM 27 NE2 HIS A 3 10.611 -0.901 -0.533 1.00 33.44 N ATOM 0 H HIS A 3 8.214 0.288 -3.088 1.00 61.14 H new ATOM 0 HA HIS A 3 5.537 0.690 -1.917 1.00 32.33 H new ATOM 0 HB2 HIS A 3 6.383 -0.593 -0.047 1.00 63.21 H new ATOM 0 HB3 HIS A 3 6.702 -1.476 -1.527 1.00 63.21 H new ATOM 0 HD2 HIS A 3 9.512 -1.225 -2.403 1.00 40.44 H new ATOM 0 HE1 HIS A 3 10.859 -0.433 1.540 1.00 31.04 H new ATOM 0 HE2 HIS A 3 11.575 -1.079 -0.816 1.00 33.44 H new ATOM 35 N MET A 4 8.300 2.319 -1.244 1.00 54.34 N ATOM 36 CA MET A 4 8.836 3.508 -0.592 1.00 45.14 C ATOM 37 C MET A 4 8.092 4.760 -1.045 1.00 73.15 C ATOM 38 O MET A 4 8.266 5.222 -2.173 1.00 30.13 O ATOM 39 CB MET A 4 10.329 3.651 -0.894 1.00 44.34 C ATOM 40 CG MET A 4 11.192 2.605 -0.206 1.00 54.55 C ATOM 41 SD MET A 4 12.932 3.074 -0.141 1.00 34.15 S ATOM 42 CE MET A 4 13.669 1.555 0.458 1.00 54.01 C ATOM 0 H MET A 4 8.958 1.843 -1.861 1.00 54.34 H new ATOM 0 HA MET A 4 8.698 3.395 0.483 1.00 45.14 H new ATOM 0 HB2 MET A 4 10.481 3.584 -1.971 1.00 44.34 H new ATOM 0 HB3 MET A 4 10.660 4.643 -0.586 1.00 44.34 H new ATOM 0 HG2 MET A 4 10.824 2.446 0.808 1.00 54.55 H new ATOM 0 HG3 MET A 4 11.095 1.656 -0.733 1.00 54.55 H new ATOM 0 HE1 MET A 4 14.747 1.686 0.551 1.00 54.01 H new ATOM 0 HE2 MET A 4 13.248 1.306 1.432 1.00 54.01 H new ATOM 0 HE3 MET A 4 13.461 0.748 -0.245 1.00 54.01 H new ATOM 52 N GLN A 5 7.262 5.303 -0.160 1.00 63.41 N ATOM 53 CA GLN A 5 6.491 6.500 -0.471 1.00 11.30 C ATOM 54 C GLN A 5 7.201 7.752 0.034 1.00 22.32 C ATOM 55 O GLN A 5 6.892 8.865 -0.389 1.00 11.15 O ATOM 56 CB GLN A 5 5.094 6.408 0.147 1.00 65.34 C ATOM 57 CG GLN A 5 4.315 5.179 -0.293 1.00 61.21 C ATOM 58 CD GLN A 5 2.815 5.376 -0.201 1.00 73.50 C ATOM 59 OE1 GLN A 5 2.139 4.722 0.594 1.00 31.12 O ATOM 60 NE2 GLN A 5 2.285 6.280 -1.016 1.00 71.01 N ATOM 0 H GLN A 5 7.107 4.933 0.778 1.00 63.41 H new ATOM 0 HA GLN A 5 6.398 6.569 -1.555 1.00 11.30 H new ATOM 0 HB2 GLN A 5 5.186 6.400 1.233 1.00 65.34 H new ATOM 0 HB3 GLN A 5 4.528 7.301 -0.119 1.00 65.34 H new ATOM 0 HG2 GLN A 5 4.583 4.932 -1.320 1.00 61.21 H new ATOM 0 HG3 GLN A 5 4.605 4.329 0.325 1.00 61.21 H new ATOM 0 HE21 GLN A 5 2.882 6.799 -1.659 1.00 71.01 H new ATOM 0 HE22 GLN A 5 1.280 6.455 -0.999 1.00 71.01 H new ATOM 69 N GLU A 6 8.154 7.560 0.941 1.00 1.02 N ATOM 70 CA GLU A 6 8.907 8.675 1.504 1.00 20.54 C ATOM 71 C GLU A 6 9.625 9.455 0.408 1.00 43.44 C ATOM 72 O GLU A 6 10.156 8.873 -0.538 1.00 22.05 O ATOM 73 CB GLU A 6 9.921 8.167 2.532 1.00 60.34 C ATOM 74 CG GLU A 6 10.849 7.092 1.991 1.00 60.02 C ATOM 75 CD GLU A 6 12.258 7.601 1.758 1.00 42.34 C ATOM 76 OE1 GLU A 6 12.425 8.827 1.588 1.00 14.53 O ATOM 77 OE2 GLU A 6 13.194 6.775 1.744 1.00 32.41 O ATOM 0 H GLU A 6 8.423 6.644 1.301 1.00 1.02 H new ATOM 0 HA GLU A 6 8.202 9.343 1.999 1.00 20.54 H new ATOM 0 HB2 GLU A 6 10.519 9.007 2.886 1.00 60.34 H new ATOM 0 HB3 GLU A 6 9.384 7.772 3.395 1.00 60.34 H new ATOM 0 HG2 GLU A 6 10.879 6.257 2.691 1.00 60.02 H new ATOM 0 HG3 GLU A 6 10.446 6.707 1.054 1.00 60.02 H new ATOM 84 N ALA A 7 9.636 10.778 0.541 1.00 25.42 N ATOM 85 CA ALA A 7 10.290 11.639 -0.437 1.00 30.34 C ATOM 86 C ALA A 7 11.325 12.539 0.230 1.00 61.24 C ATOM 87 O ALA A 7 11.207 12.870 1.409 1.00 1.23 O ATOM 88 CB ALA A 7 9.257 12.476 -1.176 1.00 41.30 C ATOM 0 H ALA A 7 9.199 11.276 1.316 1.00 25.42 H new ATOM 0 HA ALA A 7 10.809 11.004 -1.156 1.00 30.34 H new ATOM 0 HB1 ALA A 7 9.759 13.114 -1.903 1.00 41.30 H new ATOM 0 HB2 ALA A 7 8.558 11.818 -1.692 1.00 41.30 H new ATOM 0 HB3 ALA A 7 8.713 13.096 -0.463 1.00 41.30 H new ATOM 94 N VAL A 8 12.340 12.931 -0.534 1.00 2.23 N ATOM 95 CA VAL A 8 13.396 13.794 -0.017 1.00 63.52 C ATOM 96 C VAL A 8 13.502 15.079 -0.830 1.00 4.24 C ATOM 97 O VAL A 8 13.345 15.070 -2.051 1.00 31.25 O ATOM 98 CB VAL A 8 14.760 13.078 -0.028 1.00 45.41 C ATOM 99 CG1 VAL A 8 15.800 13.900 0.718 1.00 45.43 C ATOM 100 CG2 VAL A 8 14.637 11.687 0.574 1.00 72.10 C ATOM 0 H VAL A 8 12.453 12.665 -1.512 1.00 2.23 H new ATOM 0 HA VAL A 8 13.131 14.039 1.011 1.00 63.52 H new ATOM 0 HB VAL A 8 15.087 12.973 -1.062 1.00 45.41 H new ATOM 0 HG11 VAL A 8 16.757 13.379 0.700 1.00 45.43 H new ATOM 0 HG12 VAL A 8 15.907 14.873 0.238 1.00 45.43 H new ATOM 0 HG13 VAL A 8 15.482 14.038 1.751 1.00 45.43 H new ATOM 0 HG21 VAL A 8 15.610 11.196 0.558 1.00 72.10 H new ATOM 0 HG22 VAL A 8 14.287 11.766 1.603 1.00 72.10 H new ATOM 0 HG23 VAL A 8 13.925 11.101 -0.007 1.00 72.10 H new ATOM 110 N VAL A 9 13.771 16.186 -0.144 1.00 21.34 N ATOM 111 CA VAL A 9 13.900 17.481 -0.801 1.00 61.43 C ATOM 112 C VAL A 9 15.257 18.112 -0.510 1.00 71.02 C ATOM 113 O VAL A 9 15.710 18.137 0.634 1.00 0.04 O ATOM 114 CB VAL A 9 12.789 18.450 -0.356 1.00 30.42 C ATOM 115 CG1 VAL A 9 12.952 19.799 -1.038 1.00 2.41 C ATOM 116 CG2 VAL A 9 11.418 17.858 -0.647 1.00 62.03 C ATOM 0 H VAL A 9 13.904 16.211 0.867 1.00 21.34 H new ATOM 0 HA VAL A 9 13.808 17.303 -1.872 1.00 61.43 H new ATOM 0 HB VAL A 9 12.873 18.602 0.720 1.00 30.42 H new ATOM 0 HG11 VAL A 9 12.158 20.470 -0.711 1.00 2.41 H new ATOM 0 HG12 VAL A 9 13.920 20.226 -0.774 1.00 2.41 H new ATOM 0 HG13 VAL A 9 12.896 19.669 -2.119 1.00 2.41 H new ATOM 0 HG21 VAL A 9 10.645 18.556 -0.326 1.00 62.03 H new ATOM 0 HG22 VAL A 9 11.320 17.675 -1.717 1.00 62.03 H new ATOM 0 HG23 VAL A 9 11.305 16.918 -0.106 1.00 62.03 H new ATOM 126 N LYS A 10 15.902 18.622 -1.554 1.00 12.53 N ATOM 127 CA LYS A 10 17.207 19.257 -1.412 1.00 20.44 C ATOM 128 C LYS A 10 17.092 20.772 -1.538 1.00 42.44 C ATOM 129 O LYS A 10 16.412 21.281 -2.431 1.00 3.24 O ATOM 130 CB LYS A 10 18.176 18.718 -2.466 1.00 62.14 C ATOM 131 CG LYS A 10 17.661 18.850 -3.889 1.00 64.13 C ATOM 132 CD LYS A 10 17.678 17.515 -4.614 1.00 74.42 C ATOM 133 CE LYS A 10 18.941 17.347 -5.445 1.00 33.32 C ATOM 134 NZ LYS A 10 20.065 16.796 -4.639 1.00 4.32 N ATOM 0 H LYS A 10 15.542 18.608 -2.508 1.00 12.53 H new ATOM 0 HA LYS A 10 17.592 19.022 -0.420 1.00 20.44 H new ATOM 0 HB2 LYS A 10 19.124 19.249 -2.381 1.00 62.14 H new ATOM 0 HB3 LYS A 10 18.379 17.667 -2.258 1.00 62.14 H new ATOM 0 HG2 LYS A 10 16.645 19.244 -3.874 1.00 64.13 H new ATOM 0 HG3 LYS A 10 18.274 19.569 -4.433 1.00 64.13 H new ATOM 0 HD2 LYS A 10 17.609 16.705 -3.888 1.00 74.42 H new ATOM 0 HD3 LYS A 10 16.803 17.440 -5.260 1.00 74.42 H new ATOM 0 HE2 LYS A 10 18.737 16.684 -6.286 1.00 33.32 H new ATOM 0 HE3 LYS A 10 19.232 18.311 -5.863 1.00 33.32 H new ATOM 0 HZ1 LYS A 10 20.907 16.696 -5.241 1.00 4.32 H new ATOM 0 HZ2 LYS A 10 20.276 17.441 -3.851 1.00 4.32 H new ATOM 0 HZ3 LYS A 10 19.797 15.865 -4.261 1.00 4.32 H new ATOM 148 N LEU A 11 17.762 21.489 -0.642 1.00 74.31 N ATOM 149 CA LEU A 11 17.736 22.947 -0.655 1.00 11.33 C ATOM 150 C LEU A 11 19.149 23.516 -0.733 1.00 1.12 C ATOM 151 O LEU A 11 20.071 23.003 -0.098 1.00 41.34 O ATOM 152 CB LEU A 11 17.030 23.475 0.595 1.00 13.42 C ATOM 153 CG LEU A 11 15.663 22.862 0.904 1.00 44.12 C ATOM 154 CD1 LEU A 11 15.261 23.151 2.342 1.00 50.34 C ATOM 155 CD2 LEU A 11 14.612 23.388 -0.062 1.00 41.24 C ATOM 0 H LEU A 11 18.330 21.084 0.102 1.00 74.31 H new ATOM 0 HA LEU A 11 17.185 23.268 -1.539 1.00 11.33 H new ATOM 0 HB2 LEU A 11 17.682 23.310 1.453 1.00 13.42 H new ATOM 0 HB3 LEU A 11 16.907 24.553 0.490 1.00 13.42 H new ATOM 0 HG LEU A 11 15.734 21.782 0.779 1.00 44.12 H new ATOM 0 HD11 LEU A 11 14.286 22.707 2.543 1.00 50.34 H new ATOM 0 HD12 LEU A 11 16.001 22.724 3.019 1.00 50.34 H new ATOM 0 HD13 LEU A 11 15.208 24.229 2.495 1.00 50.34 H new ATOM 0 HD21 LEU A 11 13.646 22.941 0.173 1.00 41.24 H new ATOM 0 HD22 LEU A 11 14.543 24.472 0.031 1.00 41.24 H new ATOM 0 HD23 LEU A 11 14.893 23.128 -1.083 1.00 41.24 H new ATOM 167 N ARG A 12 19.311 24.580 -1.513 1.00 60.42 N ATOM 168 CA ARG A 12 20.611 25.219 -1.673 1.00 65.12 C ATOM 169 C ARG A 12 20.941 26.091 -0.465 1.00 52.13 C ATOM 170 O ARG A 12 20.224 27.045 -0.161 1.00 64.11 O ATOM 171 CB ARG A 12 20.634 26.065 -2.948 1.00 25.52 C ATOM 172 CG ARG A 12 22.006 26.151 -3.597 1.00 2.03 C ATOM 173 CD ARG A 12 22.033 27.190 -4.706 1.00 50.35 C ATOM 174 NE ARG A 12 23.309 27.899 -4.762 1.00 15.44 N ATOM 175 CZ ARG A 12 24.436 27.350 -5.198 1.00 44.13 C ATOM 176 NH1 ARG A 12 24.447 26.092 -5.616 1.00 34.20 N ATOM 177 NH2 ARG A 12 25.557 28.060 -5.218 1.00 43.12 N ATOM 0 H ARG A 12 18.558 25.017 -2.044 1.00 60.42 H new ATOM 0 HA ARG A 12 21.365 24.436 -1.751 1.00 65.12 H new ATOM 0 HB2 ARG A 12 19.928 25.646 -3.665 1.00 25.52 H new ATOM 0 HB3 ARG A 12 20.289 27.072 -2.712 1.00 25.52 H new ATOM 0 HG2 ARG A 12 22.751 26.403 -2.843 1.00 2.03 H new ATOM 0 HG3 ARG A 12 22.280 25.177 -4.003 1.00 2.03 H new ATOM 0 HD2 ARG A 12 21.847 26.703 -5.663 1.00 50.35 H new ATOM 0 HD3 ARG A 12 21.227 27.907 -4.551 1.00 50.35 H new ATOM 0 HE ARG A 12 23.335 28.869 -4.449 1.00 15.44 H new ATOM 0 HH11 ARG A 12 23.588 25.543 -5.603 1.00 34.20 H new ATOM 0 HH12 ARG A 12 25.315 25.673 -5.950 1.00 34.20 H new ATOM 0 HH21 ARG A 12 25.553 29.029 -4.898 1.00 43.12 H new ATOM 0 HH22 ARG A 12 26.423 27.637 -5.553 1.00 43.12 H new ATOM 191 N VAL A 13 22.030 25.757 0.220 1.00 34.03 N ATOM 192 CA VAL A 13 22.455 26.510 1.395 1.00 74.55 C ATOM 193 C VAL A 13 23.676 27.368 1.085 1.00 54.23 C ATOM 194 O VAL A 13 24.672 26.878 0.555 1.00 42.33 O ATOM 195 CB VAL A 13 22.785 25.573 2.572 1.00 14.21 C ATOM 196 CG1 VAL A 13 23.426 26.352 3.710 1.00 10.03 C ATOM 197 CG2 VAL A 13 21.531 24.853 3.047 1.00 4.53 C ATOM 0 H VAL A 13 22.634 24.970 -0.018 1.00 34.03 H new ATOM 0 HA VAL A 13 21.623 27.155 1.676 1.00 74.55 H new ATOM 0 HB VAL A 13 23.499 24.824 2.229 1.00 14.21 H new ATOM 0 HG11 VAL A 13 23.652 25.674 4.533 1.00 10.03 H new ATOM 0 HG12 VAL A 13 24.347 26.817 3.359 1.00 10.03 H new ATOM 0 HG13 VAL A 13 22.738 27.124 4.055 1.00 10.03 H new ATOM 0 HG21 VAL A 13 21.782 24.195 3.879 1.00 4.53 H new ATOM 0 HG22 VAL A 13 20.793 25.585 3.374 1.00 4.53 H new ATOM 0 HG23 VAL A 13 21.119 24.262 2.229 1.00 4.53 H new ATOM 207 N GLU A 14 23.590 28.652 1.420 1.00 60.14 N ATOM 208 CA GLU A 14 24.689 29.579 1.176 1.00 31.04 C ATOM 209 C GLU A 14 25.418 29.911 2.475 1.00 12.52 C ATOM 210 O GLU A 14 26.556 30.379 2.459 1.00 32.30 O ATOM 211 CB GLU A 14 24.168 30.863 0.528 1.00 40.21 C ATOM 212 CG GLU A 14 25.264 31.854 0.173 1.00 1.04 C ATOM 213 CD GLU A 14 25.193 32.310 -1.271 1.00 45.10 C ATOM 214 OE1 GLU A 14 24.105 32.743 -1.705 1.00 25.14 O ATOM 215 OE2 GLU A 14 26.227 32.234 -1.968 1.00 3.13 O ATOM 0 H GLU A 14 22.772 29.073 1.860 1.00 60.14 H new ATOM 0 HA GLU A 14 25.393 29.098 0.497 1.00 31.04 H new ATOM 0 HB2 GLU A 14 23.616 30.606 -0.376 1.00 40.21 H new ATOM 0 HB3 GLU A 14 23.463 31.342 1.207 1.00 40.21 H new ATOM 0 HG2 GLU A 14 25.190 32.722 0.828 1.00 1.04 H new ATOM 0 HG3 GLU A 14 26.236 31.397 0.358 1.00 1.04 H new ATOM 222 N GLY A 15 24.752 29.667 3.600 1.00 41.20 N ATOM 223 CA GLY A 15 25.351 29.947 4.892 1.00 72.10 C ATOM 224 C GLY A 15 26.425 28.944 5.262 1.00 4.04 C ATOM 225 O GLY A 15 27.243 29.199 6.146 1.00 31.43 O ATOM 0 H GLY A 15 23.809 29.281 3.640 1.00 41.20 H new ATOM 0 HA2 GLY A 15 25.782 30.948 4.880 1.00 72.10 H new ATOM 0 HA3 GLY A 15 24.575 29.943 5.657 1.00 72.10 H new ATOM 229 N MET A 16 26.423 27.800 4.586 1.00 22.02 N ATOM 230 CA MET A 16 27.406 26.755 4.850 1.00 74.10 C ATOM 231 C MET A 16 28.821 27.323 4.836 1.00 41.22 C ATOM 232 O MET A 16 29.142 28.199 4.031 1.00 22.51 O ATOM 233 CB MET A 16 27.282 25.636 3.814 1.00 43.01 C ATOM 234 CG MET A 16 27.202 24.247 4.426 1.00 2.01 C ATOM 235 SD MET A 16 28.756 23.730 5.181 1.00 12.12 S ATOM 236 CE MET A 16 29.869 23.853 3.783 1.00 31.24 C ATOM 0 H MET A 16 25.752 27.573 3.852 1.00 22.02 H new ATOM 0 HA MET A 16 27.208 26.347 5.841 1.00 74.10 H new ATOM 0 HB2 MET A 16 26.392 25.809 3.209 1.00 43.01 H new ATOM 0 HB3 MET A 16 28.138 25.679 3.141 1.00 43.01 H new ATOM 0 HG2 MET A 16 26.414 24.231 5.179 1.00 2.01 H new ATOM 0 HG3 MET A 16 26.921 23.530 3.655 1.00 2.01 H new ATOM 0 HE1 MET A 16 30.732 23.208 3.947 1.00 31.24 H new ATOM 0 HE2 MET A 16 29.350 23.541 2.876 1.00 31.24 H new ATOM 0 HE3 MET A 16 30.203 24.885 3.673 1.00 31.24 H new ATOM 246 N THR A 17 29.665 26.821 5.732 1.00 60.54 N ATOM 247 CA THR A 17 31.045 27.279 5.823 1.00 44.12 C ATOM 248 C THR A 17 31.957 26.177 6.350 1.00 1.35 C ATOM 249 O THR A 17 31.540 25.026 6.488 1.00 44.53 O ATOM 250 CB THR A 17 31.168 28.513 6.737 1.00 42.03 C ATOM 251 OG1 THR A 17 29.866 28.977 7.111 1.00 62.00 O ATOM 252 CG2 THR A 17 31.929 29.630 6.038 1.00 12.13 C ATOM 0 H THR A 17 29.416 26.096 6.405 1.00 60.54 H new ATOM 0 HA THR A 17 31.355 27.551 4.814 1.00 44.12 H new ATOM 0 HB THR A 17 31.720 28.223 7.631 1.00 42.03 H new ATOM 0 HG1 THR A 17 29.953 29.761 7.693 1.00 62.00 H new ATOM 0 HG21 THR A 17 32.003 30.491 6.702 1.00 12.13 H new ATOM 0 HG22 THR A 17 32.930 29.283 5.781 1.00 12.13 H new ATOM 0 HG23 THR A 17 31.400 29.918 5.129 1.00 12.13 H new ATOM 260 N CYS A 18 33.202 26.536 6.645 1.00 15.43 N ATOM 261 CA CYS A 18 34.173 25.577 7.159 1.00 71.15 C ATOM 262 C CYS A 18 33.608 24.819 8.356 1.00 45.40 C ATOM 263 O CYS A 18 33.946 23.658 8.582 1.00 22.22 O ATOM 264 CB CYS A 18 35.466 26.291 7.555 1.00 51.11 C ATOM 265 SG CYS A 18 35.224 27.686 8.680 1.00 72.22 S ATOM 0 H CYS A 18 33.562 27.484 6.537 1.00 15.43 H new ATOM 0 HA CYS A 18 34.391 24.859 6.368 1.00 71.15 H new ATOM 0 HB2 CYS A 18 36.137 25.571 8.025 1.00 51.11 H new ATOM 0 HB3 CYS A 18 35.963 26.648 6.653 1.00 51.11 H new ATOM 0 HG CYS A 18 36.374 28.223 8.959 1.00 72.22 H new ATOM 271 N GLN A 19 32.749 25.486 9.120 1.00 40.13 N ATOM 272 CA GLN A 19 32.140 24.876 10.296 1.00 70.34 C ATOM 273 C GLN A 19 31.257 23.697 9.901 1.00 32.41 C ATOM 274 O GLN A 19 30.419 23.808 9.006 1.00 21.10 O ATOM 275 CB GLN A 19 31.316 25.910 11.064 1.00 4.35 C ATOM 276 CG GLN A 19 31.029 25.512 12.503 1.00 75.41 C ATOM 277 CD GLN A 19 32.292 25.300 13.314 1.00 72.53 C ATOM 278 OE1 GLN A 19 32.797 24.181 13.416 1.00 42.31 O ATOM 279 NE2 GLN A 19 32.810 26.375 13.896 1.00 74.13 N ATOM 0 H GLN A 19 32.459 26.448 8.946 1.00 40.13 H new ATOM 0 HA GLN A 19 32.940 24.509 10.939 1.00 70.34 H new ATOM 0 HB2 GLN A 19 31.846 26.862 11.058 1.00 4.35 H new ATOM 0 HB3 GLN A 19 30.371 26.068 10.544 1.00 4.35 H new ATOM 0 HG2 GLN A 19 30.424 26.286 12.976 1.00 75.41 H new ATOM 0 HG3 GLN A 19 30.439 24.596 12.511 1.00 75.41 H new ATOM 0 HE21 GLN A 19 32.358 27.283 13.785 1.00 74.13 H new ATOM 0 HE22 GLN A 19 33.660 26.293 14.454 1.00 74.13 H new ATOM 288 N SER A 20 31.450 22.567 10.575 1.00 43.22 N ATOM 289 CA SER A 20 30.674 21.366 10.292 1.00 60.34 C ATOM 290 C SER A 20 29.328 21.407 11.009 1.00 61.10 C ATOM 291 O SER A 20 29.039 20.562 11.858 1.00 54.54 O ATOM 292 CB SER A 20 31.452 20.119 10.715 1.00 64.50 C ATOM 293 OG SER A 20 30.849 18.943 10.203 1.00 22.33 O ATOM 0 H SER A 20 32.137 22.459 11.321 1.00 43.22 H new ATOM 0 HA SER A 20 30.493 21.325 9.218 1.00 60.34 H new ATOM 0 HB2 SER A 20 32.480 20.189 10.358 1.00 64.50 H new ATOM 0 HB3 SER A 20 31.495 20.065 11.803 1.00 64.50 H new ATOM 0 HG SER A 20 31.366 18.160 10.486 1.00 22.33 H new ATOM 299 N CYS A 21 28.510 22.394 10.662 1.00 2.31 N ATOM 300 CA CYS A 21 27.194 22.547 11.273 1.00 44.42 C ATOM 301 C CYS A 21 26.310 21.342 10.969 1.00 44.32 C ATOM 302 O CYS A 21 25.289 21.128 11.622 1.00 61.31 O ATOM 303 CB CYS A 21 26.523 23.827 10.772 1.00 12.14 C ATOM 304 SG CYS A 21 26.191 25.042 12.069 1.00 1.44 S ATOM 0 H CYS A 21 28.734 23.100 9.961 1.00 2.31 H new ATOM 0 HA CYS A 21 27.327 22.613 12.353 1.00 44.42 H new ATOM 0 HB2 CYS A 21 27.158 24.285 10.014 1.00 12.14 H new ATOM 0 HB3 CYS A 21 25.584 23.565 10.285 1.00 12.14 H new ATOM 0 HG CYS A 21 25.009 25.554 11.892 1.00 1.44 H new ATOM 310 N VAL A 22 26.709 20.559 9.972 1.00 60.13 N ATOM 311 CA VAL A 22 25.953 19.375 9.580 1.00 11.31 C ATOM 312 C VAL A 22 25.625 18.508 10.790 1.00 31.30 C ATOM 313 O VAL A 22 24.496 18.041 10.944 1.00 3.15 O ATOM 314 CB VAL A 22 26.727 18.530 8.551 1.00 54.22 C ATOM 315 CG1 VAL A 22 25.965 17.254 8.226 1.00 14.43 C ATOM 316 CG2 VAL A 22 26.991 19.338 7.289 1.00 1.55 C ATOM 0 H VAL A 22 27.551 20.723 9.421 1.00 60.13 H new ATOM 0 HA VAL A 22 25.026 19.727 9.126 1.00 11.31 H new ATOM 0 HB VAL A 22 27.687 18.251 8.985 1.00 54.22 H new ATOM 0 HG11 VAL A 22 26.527 16.670 7.497 1.00 14.43 H new ATOM 0 HG12 VAL A 22 25.832 16.668 9.135 1.00 14.43 H new ATOM 0 HG13 VAL A 22 24.989 17.508 7.812 1.00 14.43 H new ATOM 0 HG21 VAL A 22 27.539 18.726 6.573 1.00 1.55 H new ATOM 0 HG22 VAL A 22 26.043 19.648 6.851 1.00 1.55 H new ATOM 0 HG23 VAL A 22 27.581 20.220 7.538 1.00 1.55 H new ATOM 326 N SER A 23 26.619 18.296 11.646 1.00 21.34 N ATOM 327 CA SER A 23 26.437 17.481 12.842 1.00 24.10 C ATOM 328 C SER A 23 25.418 18.116 13.783 1.00 40.34 C ATOM 329 O SER A 23 24.627 17.421 14.420 1.00 61.12 O ATOM 330 CB SER A 23 27.772 17.297 13.567 1.00 30.11 C ATOM 331 OG SER A 23 28.196 15.945 13.520 1.00 14.45 O ATOM 0 H SER A 23 27.559 18.677 11.534 1.00 21.34 H new ATOM 0 HA SER A 23 26.061 16.506 12.533 1.00 24.10 H new ATOM 0 HB2 SER A 23 28.529 17.935 13.110 1.00 30.11 H new ATOM 0 HB3 SER A 23 27.672 17.614 14.605 1.00 30.11 H new ATOM 0 HG SER A 23 29.052 15.854 13.989 1.00 14.45 H new ATOM 337 N SER A 24 25.444 19.443 13.864 1.00 75.31 N ATOM 338 CA SER A 24 24.525 20.173 14.729 1.00 12.41 C ATOM 339 C SER A 24 23.091 20.053 14.223 1.00 15.13 C ATOM 340 O SER A 24 22.158 19.866 15.006 1.00 5.41 O ATOM 341 CB SER A 24 24.928 21.647 14.808 1.00 41.12 C ATOM 342 OG SER A 24 26.260 21.787 15.272 1.00 53.43 O ATOM 0 H SER A 24 26.091 20.034 13.341 1.00 75.31 H new ATOM 0 HA SER A 24 24.578 19.735 15.726 1.00 12.41 H new ATOM 0 HB2 SER A 24 24.832 22.107 13.824 1.00 41.12 H new ATOM 0 HB3 SER A 24 24.249 22.178 15.476 1.00 41.12 H new ATOM 0 HG SER A 24 26.494 22.738 15.312 1.00 53.43 H new ATOM 348 N ILE A 25 22.922 20.162 12.910 1.00 61.32 N ATOM 349 CA ILE A 25 21.602 20.064 12.299 1.00 44.33 C ATOM 350 C ILE A 25 21.022 18.664 12.465 1.00 15.22 C ATOM 351 O ILE A 25 19.814 18.499 12.633 1.00 53.14 O ATOM 352 CB ILE A 25 21.649 20.414 10.799 1.00 21.54 C ATOM 353 CG1 ILE A 25 22.270 21.797 10.595 1.00 73.02 C ATOM 354 CG2 ILE A 25 20.252 20.360 10.199 1.00 21.33 C ATOM 355 CD1 ILE A 25 22.642 22.086 9.157 1.00 32.33 C ATOM 0 H ILE A 25 23.683 20.318 12.248 1.00 61.32 H new ATOM 0 HA ILE A 25 20.962 20.782 12.812 1.00 44.33 H new ATOM 0 HB ILE A 25 22.271 19.679 10.288 1.00 21.54 H new ATOM 0 HG12 ILE A 25 21.568 22.556 10.940 1.00 73.02 H new ATOM 0 HG13 ILE A 25 23.161 21.881 11.217 1.00 73.02 H new ATOM 0 HG21 ILE A 25 20.301 20.610 9.139 1.00 21.33 H new ATOM 0 HG22 ILE A 25 19.844 19.356 10.317 1.00 21.33 H new ATOM 0 HG23 ILE A 25 19.608 21.076 10.711 1.00 21.33 H new ATOM 0 HD11 ILE A 25 23.076 23.083 9.087 1.00 32.33 H new ATOM 0 HD12 ILE A 25 23.368 21.349 8.814 1.00 32.33 H new ATOM 0 HD13 ILE A 25 21.750 22.034 8.533 1.00 32.33 H new ATOM 367 N GLU A 26 21.891 17.659 12.420 1.00 52.44 N ATOM 368 CA GLU A 26 21.463 16.273 12.567 1.00 42.14 C ATOM 369 C GLU A 26 20.601 16.099 13.814 1.00 63.13 C ATOM 370 O GLU A 26 19.613 15.366 13.801 1.00 24.25 O ATOM 371 CB GLU A 26 22.679 15.346 12.640 1.00 55.34 C ATOM 372 CG GLU A 26 22.620 14.187 11.659 1.00 34.13 C ATOM 373 CD GLU A 26 23.342 12.955 12.169 1.00 45.05 C ATOM 374 OE1 GLU A 26 23.146 12.599 13.349 1.00 23.44 O ATOM 375 OE2 GLU A 26 24.104 12.348 11.387 1.00 21.12 O ATOM 0 H GLU A 26 22.895 17.779 12.283 1.00 52.44 H new ATOM 0 HA GLU A 26 20.866 16.009 11.694 1.00 42.14 H new ATOM 0 HB2 GLU A 26 23.581 15.928 12.449 1.00 55.34 H new ATOM 0 HB3 GLU A 26 22.764 14.950 13.652 1.00 55.34 H new ATOM 0 HG2 GLU A 26 21.578 13.937 11.460 1.00 34.13 H new ATOM 0 HG3 GLU A 26 23.060 14.495 10.711 1.00 34.13 H new ATOM 382 N GLY A 27 20.984 16.779 14.890 1.00 22.35 N ATOM 383 CA GLY A 27 20.237 16.686 16.131 1.00 20.41 C ATOM 384 C GLY A 27 18.836 17.250 16.008 1.00 75.35 C ATOM 385 O GLY A 27 17.900 16.750 16.632 1.00 15.54 O ATOM 0 H GLY A 27 21.798 17.393 14.925 1.00 22.35 H new ATOM 0 HA2 GLY A 27 20.179 15.642 16.439 1.00 20.41 H new ATOM 0 HA3 GLY A 27 20.773 17.221 16.915 1.00 20.41 H new ATOM 389 N LYS A 28 18.689 18.295 15.200 1.00 22.13 N ATOM 390 CA LYS A 28 17.392 18.929 14.996 1.00 2.13 C ATOM 391 C LYS A 28 16.407 17.958 14.354 1.00 33.12 C ATOM 392 O LYS A 28 15.230 17.922 14.716 1.00 65.24 O ATOM 393 CB LYS A 28 17.543 20.174 14.119 1.00 14.13 C ATOM 394 CG LYS A 28 17.061 21.450 14.787 1.00 4.54 C ATOM 395 CD LYS A 28 15.571 21.399 15.081 1.00 65.21 C ATOM 396 CE LYS A 28 15.260 21.915 16.478 1.00 63.35 C ATOM 397 NZ LYS A 28 15.465 20.866 17.515 1.00 62.13 N ATOM 0 H LYS A 28 19.453 18.721 14.675 1.00 22.13 H new ATOM 0 HA LYS A 28 17.002 19.223 15.970 1.00 2.13 H new ATOM 0 HB2 LYS A 28 18.592 20.291 13.846 1.00 14.13 H new ATOM 0 HB3 LYS A 28 16.987 20.026 13.193 1.00 14.13 H new ATOM 0 HG2 LYS A 28 17.611 21.605 15.715 1.00 4.54 H new ATOM 0 HG3 LYS A 28 17.276 22.302 14.143 1.00 4.54 H new ATOM 0 HD2 LYS A 28 15.033 21.995 14.344 1.00 65.21 H new ATOM 0 HD3 LYS A 28 15.215 20.374 14.983 1.00 65.21 H new ATOM 0 HE2 LYS A 28 15.896 22.773 16.698 1.00 63.35 H new ATOM 0 HE3 LYS A 28 14.228 22.265 16.515 1.00 63.35 H new ATOM 0 HZ1 LYS A 28 14.801 21.020 18.300 1.00 62.13 H new ATOM 0 HZ2 LYS A 28 15.297 19.928 17.098 1.00 62.13 H new ATOM 0 HZ3 LYS A 28 16.441 20.916 17.872 1.00 62.13 H new ATOM 411 N VAL A 29 16.895 17.171 13.401 1.00 73.33 N ATOM 412 CA VAL A 29 16.057 16.197 12.710 1.00 4.21 C ATOM 413 C VAL A 29 15.529 15.143 13.677 1.00 53.34 C ATOM 414 O VAL A 29 14.449 14.587 13.474 1.00 25.43 O ATOM 415 CB VAL A 29 16.830 15.497 11.576 1.00 35.23 C ATOM 416 CG1 VAL A 29 17.335 14.137 12.035 1.00 51.34 C ATOM 417 CG2 VAL A 29 15.953 15.360 10.341 1.00 71.04 C ATOM 0 H VAL A 29 17.866 17.188 13.089 1.00 73.33 H new ATOM 0 HA VAL A 29 15.218 16.746 12.283 1.00 4.21 H new ATOM 0 HB VAL A 29 17.693 16.109 11.315 1.00 35.23 H new ATOM 0 HG11 VAL A 29 17.879 13.657 11.221 1.00 51.34 H new ATOM 0 HG12 VAL A 29 18.000 14.265 12.889 1.00 51.34 H new ATOM 0 HG13 VAL A 29 16.489 13.513 12.324 1.00 51.34 H new ATOM 0 HG21 VAL A 29 16.514 14.864 9.549 1.00 71.04 H new ATOM 0 HG22 VAL A 29 15.070 14.769 10.585 1.00 71.04 H new ATOM 0 HG23 VAL A 29 15.645 16.349 10.002 1.00 71.04 H new ATOM 427 N ARG A 30 16.296 14.875 14.728 1.00 71.40 N ATOM 428 CA ARG A 30 15.905 13.887 15.726 1.00 22.34 C ATOM 429 C ARG A 30 14.661 14.341 16.483 1.00 12.54 C ATOM 430 O ARG A 30 13.958 13.532 17.089 1.00 64.30 O ATOM 431 CB ARG A 30 17.052 13.642 16.709 1.00 51.11 C ATOM 432 CG ARG A 30 17.065 12.239 17.292 1.00 22.34 C ATOM 433 CD ARG A 30 17.666 11.236 16.319 1.00 14.41 C ATOM 434 NE ARG A 30 19.122 11.183 16.417 1.00 33.13 N ATOM 435 CZ ARG A 30 19.888 10.477 15.594 1.00 63.42 C ATOM 436 NH1 ARG A 30 19.340 9.768 14.616 1.00 2.42 N ATOM 437 NH2 ARG A 30 21.206 10.478 15.747 1.00 4.42 N ATOM 0 H ARG A 30 17.191 15.328 14.911 1.00 71.40 H new ATOM 0 HA ARG A 30 15.674 12.956 15.208 1.00 22.34 H new ATOM 0 HB2 ARG A 30 17.999 13.824 16.202 1.00 51.11 H new ATOM 0 HB3 ARG A 30 16.982 14.364 17.523 1.00 51.11 H new ATOM 0 HG2 ARG A 30 17.637 12.235 18.220 1.00 22.34 H new ATOM 0 HG3 ARG A 30 16.048 11.939 17.543 1.00 22.34 H new ATOM 0 HD2 ARG A 30 17.253 10.247 16.517 1.00 14.41 H new ATOM 0 HD3 ARG A 30 17.381 11.503 15.301 1.00 14.41 H new ATOM 0 HE ARG A 30 19.575 11.718 17.158 1.00 33.13 H new ATOM 0 HH11 ARG A 30 18.327 9.764 14.495 1.00 2.42 H new ATOM 0 HH12 ARG A 30 19.931 9.227 13.985 1.00 2.42 H new ATOM 0 HH21 ARG A 30 21.632 11.022 16.498 1.00 4.42 H new ATOM 0 HH22 ARG A 30 21.793 9.935 15.114 1.00 4.42 H new ATOM 451 N LYS A 31 14.394 15.643 16.445 1.00 20.41 N ATOM 452 CA LYS A 31 13.235 16.207 17.126 1.00 33.30 C ATOM 453 C LYS A 31 12.026 16.252 16.196 1.00 22.23 C ATOM 454 O LYS A 31 10.890 16.406 16.646 1.00 52.03 O ATOM 455 CB LYS A 31 13.552 17.614 17.636 1.00 11.30 C ATOM 456 CG LYS A 31 14.722 17.661 18.603 1.00 45.52 C ATOM 457 CD LYS A 31 14.332 17.145 19.977 1.00 15.34 C ATOM 458 CE LYS A 31 15.369 17.513 21.027 1.00 64.03 C ATOM 459 NZ LYS A 31 14.860 17.299 22.410 1.00 70.24 N ATOM 0 H LYS A 31 14.965 16.327 15.949 1.00 20.41 H new ATOM 0 HA LYS A 31 12.995 15.565 17.974 1.00 33.30 H new ATOM 0 HB2 LYS A 31 13.769 18.260 16.785 1.00 11.30 H new ATOM 0 HB3 LYS A 31 12.668 18.021 18.128 1.00 11.30 H new ATOM 0 HG2 LYS A 31 15.544 17.064 18.209 1.00 45.52 H new ATOM 0 HG3 LYS A 31 15.084 18.686 18.688 1.00 45.52 H new ATOM 0 HD2 LYS A 31 13.364 17.558 20.260 1.00 15.34 H new ATOM 0 HD3 LYS A 31 14.218 16.062 19.941 1.00 15.34 H new ATOM 0 HE2 LYS A 31 16.268 16.915 20.875 1.00 64.03 H new ATOM 0 HE3 LYS A 31 15.656 18.557 20.903 1.00 64.03 H new ATOM 0 HZ1 LYS A 31 15.597 17.561 23.096 1.00 70.24 H new ATOM 0 HZ2 LYS A 31 14.017 17.888 22.565 1.00 70.24 H new ATOM 0 HZ3 LYS A 31 14.610 16.297 22.537 1.00 70.24 H new ATOM 473 N LEU A 32 12.278 16.115 14.899 1.00 22.03 N ATOM 474 CA LEU A 32 11.210 16.138 13.906 1.00 42.42 C ATOM 475 C LEU A 32 10.456 14.813 13.886 1.00 72.12 C ATOM 476 O LEU A 32 11.060 13.743 13.960 1.00 1.41 O ATOM 477 CB LEU A 32 11.784 16.433 12.519 1.00 74.14 C ATOM 478 CG LEU A 32 11.655 17.877 12.032 1.00 71.33 C ATOM 479 CD1 LEU A 32 10.211 18.192 11.673 1.00 42.31 C ATOM 480 CD2 LEU A 32 12.167 18.844 13.089 1.00 63.30 C ATOM 0 H LEU A 32 13.212 15.987 14.511 1.00 22.03 H new ATOM 0 HA LEU A 32 10.510 16.928 14.179 1.00 42.42 H new ATOM 0 HB2 LEU A 32 12.840 16.164 12.520 1.00 74.14 H new ATOM 0 HB3 LEU A 32 11.290 15.782 11.798 1.00 74.14 H new ATOM 0 HG LEU A 32 12.264 17.994 11.136 1.00 71.33 H new ATOM 0 HD11 LEU A 32 10.138 19.224 11.329 1.00 42.31 H new ATOM 0 HD12 LEU A 32 9.878 17.521 10.881 1.00 42.31 H new ATOM 0 HD13 LEU A 32 9.580 18.058 12.552 1.00 42.31 H new ATOM 0 HD21 LEU A 32 12.068 19.867 12.725 1.00 63.30 H new ATOM 0 HD22 LEU A 32 11.585 18.726 14.003 1.00 63.30 H new ATOM 0 HD23 LEU A 32 13.216 18.633 13.297 1.00 63.30 H new ATOM 492 N GLN A 33 9.133 14.892 13.783 1.00 0.20 N ATOM 493 CA GLN A 33 8.297 13.698 13.752 1.00 52.14 C ATOM 494 C GLN A 33 8.215 13.128 12.340 1.00 62.35 C ATOM 495 O GLN A 33 8.794 12.082 12.047 1.00 2.31 O ATOM 496 CB GLN A 33 6.893 14.019 14.267 1.00 53.45 C ATOM 497 CG GLN A 33 5.995 12.799 14.387 1.00 73.24 C ATOM 498 CD GLN A 33 6.524 11.780 15.377 1.00 71.14 C ATOM 499 OE1 GLN A 33 7.547 11.138 15.137 1.00 72.41 O ATOM 500 NE2 GLN A 33 5.829 11.627 16.497 1.00 34.44 N ATOM 0 H GLN A 33 8.618 15.770 13.720 1.00 0.20 H new ATOM 0 HA GLN A 33 8.752 12.950 14.401 1.00 52.14 H new ATOM 0 HB2 GLN A 33 6.974 14.498 15.243 1.00 53.45 H new ATOM 0 HB3 GLN A 33 6.425 14.740 13.596 1.00 53.45 H new ATOM 0 HG2 GLN A 33 4.998 13.115 14.695 1.00 73.24 H new ATOM 0 HG3 GLN A 33 5.893 12.330 13.408 1.00 73.24 H new ATOM 0 HE21 GLN A 33 4.987 12.180 16.654 1.00 34.44 H new ATOM 0 HE22 GLN A 33 6.137 10.956 17.201 1.00 34.44 H new ATOM 509 N GLY A 34 7.491 13.822 11.467 1.00 44.13 N ATOM 510 CA GLY A 34 7.347 13.369 10.096 1.00 72.33 C ATOM 511 C GLY A 34 8.681 13.083 9.436 1.00 62.30 C ATOM 512 O GLY A 34 8.935 11.963 8.992 1.00 41.03 O ATOM 0 H GLY A 34 7.002 14.690 11.685 1.00 44.13 H new ATOM 0 HA2 GLY A 34 6.735 12.467 10.077 1.00 72.33 H new ATOM 0 HA3 GLY A 34 6.816 14.127 9.520 1.00 72.33 H new ATOM 516 N VAL A 35 9.537 14.098 9.370 1.00 54.13 N ATOM 517 CA VAL A 35 10.852 13.951 8.759 1.00 62.24 C ATOM 518 C VAL A 35 11.550 12.689 9.253 1.00 33.43 C ATOM 519 O VAL A 35 11.479 12.349 10.435 1.00 54.44 O ATOM 520 CB VAL A 35 11.748 15.168 9.054 1.00 12.51 C ATOM 521 CG1 VAL A 35 12.848 14.797 10.037 1.00 74.30 C ATOM 522 CG2 VAL A 35 12.338 15.721 7.765 1.00 33.23 C ATOM 0 H VAL A 35 9.343 15.031 9.733 1.00 54.13 H new ATOM 0 HA VAL A 35 10.694 13.878 7.683 1.00 62.24 H new ATOM 0 HB VAL A 35 11.135 15.946 9.509 1.00 12.51 H new ATOM 0 HG11 VAL A 35 13.471 15.670 10.233 1.00 74.30 H new ATOM 0 HG12 VAL A 35 12.401 14.453 10.970 1.00 74.30 H new ATOM 0 HG13 VAL A 35 13.461 14.002 9.614 1.00 74.30 H new ATOM 0 HG21 VAL A 35 12.968 16.581 7.993 1.00 33.23 H new ATOM 0 HG22 VAL A 35 12.937 14.951 7.279 1.00 33.23 H new ATOM 0 HG23 VAL A 35 11.532 16.028 7.099 1.00 33.23 H new ATOM 532 N VAL A 36 12.225 11.996 8.341 1.00 12.13 N ATOM 533 CA VAL A 36 12.938 10.771 8.685 1.00 55.33 C ATOM 534 C VAL A 36 14.388 11.064 9.051 1.00 21.02 C ATOM 535 O VAL A 36 14.891 10.586 10.068 1.00 34.23 O ATOM 536 CB VAL A 36 12.907 9.760 7.524 1.00 71.25 C ATOM 537 CG1 VAL A 36 13.241 8.363 8.023 1.00 23.33 C ATOM 538 CG2 VAL A 36 11.550 9.779 6.837 1.00 74.32 C ATOM 0 H VAL A 36 12.293 12.262 7.359 1.00 12.13 H new ATOM 0 HA VAL A 36 12.429 10.339 9.547 1.00 55.33 H new ATOM 0 HB VAL A 36 13.663 10.049 6.794 1.00 71.25 H new ATOM 0 HG11 VAL A 36 13.214 7.662 7.188 1.00 23.33 H new ATOM 0 HG12 VAL A 36 14.237 8.363 8.465 1.00 23.33 H new ATOM 0 HG13 VAL A 36 12.511 8.061 8.774 1.00 23.33 H new ATOM 0 HG21 VAL A 36 11.546 9.059 6.019 1.00 74.32 H new ATOM 0 HG22 VAL A 36 10.774 9.516 7.556 1.00 74.32 H new ATOM 0 HG23 VAL A 36 11.356 10.776 6.443 1.00 74.32 H new ATOM 548 N ARG A 37 15.056 11.853 8.216 1.00 61.11 N ATOM 549 CA ARG A 37 16.450 12.209 8.452 1.00 50.24 C ATOM 550 C ARG A 37 16.886 13.342 7.526 1.00 35.24 C ATOM 551 O ARG A 37 16.278 13.572 6.480 1.00 23.45 O ATOM 552 CB ARG A 37 17.352 10.991 8.244 1.00 40.22 C ATOM 553 CG ARG A 37 18.302 10.733 9.401 1.00 25.34 C ATOM 554 CD ARG A 37 19.239 9.572 9.105 1.00 75.50 C ATOM 555 NE ARG A 37 20.160 9.876 8.014 1.00 4.41 N ATOM 556 CZ ARG A 37 21.258 9.172 7.761 1.00 1.32 C ATOM 557 NH1 ARG A 37 21.569 8.128 8.517 1.00 52.21 N ATOM 558 NH2 ARG A 37 22.047 9.512 6.750 1.00 4.10 N ATOM 0 H ARG A 37 14.655 12.258 7.370 1.00 61.11 H new ATOM 0 HA ARG A 37 16.542 12.549 9.483 1.00 50.24 H new ATOM 0 HB2 ARG A 37 16.729 10.109 8.093 1.00 40.22 H new ATOM 0 HB3 ARG A 37 17.933 11.131 7.332 1.00 40.22 H new ATOM 0 HG2 ARG A 37 18.886 11.631 9.601 1.00 25.34 H new ATOM 0 HG3 ARG A 37 17.729 10.518 10.303 1.00 25.34 H new ATOM 0 HD2 ARG A 37 19.808 9.328 10.002 1.00 75.50 H new ATOM 0 HD3 ARG A 37 18.653 8.689 8.849 1.00 75.50 H new ATOM 0 HE ARG A 37 19.949 10.673 7.413 1.00 4.41 H new ATOM 0 HH11 ARG A 37 20.965 7.864 9.295 1.00 52.21 H new ATOM 0 HH12 ARG A 37 22.413 7.589 8.321 1.00 52.21 H new ATOM 0 HH21 ARG A 37 21.811 10.314 6.166 1.00 4.10 H new ATOM 0 HH22 ARG A 37 22.890 8.971 6.556 1.00 4.10 H new ATOM 572 N VAL A 38 17.941 14.047 7.919 1.00 5.24 N ATOM 573 CA VAL A 38 18.459 15.155 7.126 1.00 51.52 C ATOM 574 C VAL A 38 19.951 14.991 6.859 1.00 72.31 C ATOM 575 O VAL A 38 20.745 14.833 7.786 1.00 3.12 O ATOM 576 CB VAL A 38 18.220 16.507 7.826 1.00 71.44 C ATOM 577 CG1 VAL A 38 18.954 16.556 9.157 1.00 70.11 C ATOM 578 CG2 VAL A 38 18.651 17.655 6.927 1.00 44.44 C ATOM 0 H VAL A 38 18.454 13.871 8.783 1.00 5.24 H new ATOM 0 HA VAL A 38 17.920 15.144 6.179 1.00 51.52 H new ATOM 0 HB VAL A 38 17.153 16.611 8.023 1.00 71.44 H new ATOM 0 HG11 VAL A 38 18.774 17.518 9.637 1.00 70.11 H new ATOM 0 HG12 VAL A 38 18.592 15.755 9.802 1.00 70.11 H new ATOM 0 HG13 VAL A 38 20.023 16.430 8.988 1.00 70.11 H new ATOM 0 HG21 VAL A 38 18.475 18.602 7.437 1.00 44.44 H new ATOM 0 HG22 VAL A 38 19.712 17.558 6.697 1.00 44.44 H new ATOM 0 HG23 VAL A 38 18.075 17.629 6.002 1.00 44.44 H new ATOM 588 N LYS A 39 20.326 15.029 5.585 1.00 70.42 N ATOM 589 CA LYS A 39 21.723 14.885 5.194 1.00 43.54 C ATOM 590 C LYS A 39 22.245 16.171 4.559 1.00 71.54 C ATOM 591 O LYS A 39 21.700 16.649 3.564 1.00 61.45 O ATOM 592 CB LYS A 39 21.884 13.719 4.216 1.00 54.23 C ATOM 593 CG LYS A 39 23.295 13.160 4.162 1.00 32.02 C ATOM 594 CD LYS A 39 24.207 14.029 3.313 1.00 2.33 C ATOM 595 CE LYS A 39 25.482 13.292 2.931 1.00 55.34 C ATOM 596 NZ LYS A 39 26.300 14.067 1.957 1.00 15.31 N ATOM 0 H LYS A 39 19.681 15.158 4.805 1.00 70.42 H new ATOM 0 HA LYS A 39 22.306 14.680 6.092 1.00 43.54 H new ATOM 0 HB2 LYS A 39 21.197 12.921 4.499 1.00 54.23 H new ATOM 0 HB3 LYS A 39 21.595 14.050 3.218 1.00 54.23 H new ATOM 0 HG2 LYS A 39 23.697 13.087 5.172 1.00 32.02 H new ATOM 0 HG3 LYS A 39 23.272 12.149 3.755 1.00 32.02 H new ATOM 0 HD2 LYS A 39 23.680 14.338 2.410 1.00 2.33 H new ATOM 0 HD3 LYS A 39 24.460 14.937 3.861 1.00 2.33 H new ATOM 0 HE2 LYS A 39 26.072 13.098 3.827 1.00 55.34 H new ATOM 0 HE3 LYS A 39 25.227 12.323 2.501 1.00 55.34 H new ATOM 0 HZ1 LYS A 39 27.160 13.531 1.722 1.00 15.31 H new ATOM 0 HZ2 LYS A 39 25.747 14.231 1.092 1.00 15.31 H new ATOM 0 HZ3 LYS A 39 26.565 14.981 2.376 1.00 15.31 H new ATOM 610 N VAL A 40 23.304 16.725 5.139 1.00 24.34 N ATOM 611 CA VAL A 40 23.901 17.953 4.629 1.00 62.15 C ATOM 612 C VAL A 40 25.296 17.695 4.069 1.00 13.02 C ATOM 613 O VAL A 40 26.103 16.998 4.684 1.00 42.13 O ATOM 614 CB VAL A 40 23.991 19.031 5.725 1.00 50.45 C ATOM 615 CG1 VAL A 40 24.639 20.295 5.179 1.00 24.41 C ATOM 616 CG2 VAL A 40 22.611 19.332 6.290 1.00 61.01 C ATOM 0 H VAL A 40 23.767 16.342 5.964 1.00 24.34 H new ATOM 0 HA VAL A 40 23.252 18.312 3.830 1.00 62.15 H new ATOM 0 HB VAL A 40 24.615 18.651 6.534 1.00 50.45 H new ATOM 0 HG11 VAL A 40 24.694 21.045 5.968 1.00 24.41 H new ATOM 0 HG12 VAL A 40 25.644 20.065 4.826 1.00 24.41 H new ATOM 0 HG13 VAL A 40 24.043 20.681 4.352 1.00 24.41 H new ATOM 0 HG21 VAL A 40 22.693 20.096 7.063 1.00 61.01 H new ATOM 0 HG22 VAL A 40 21.962 19.692 5.492 1.00 61.01 H new ATOM 0 HG23 VAL A 40 22.188 18.424 6.720 1.00 61.01 H new ATOM 626 N SER A 41 25.572 18.262 2.899 1.00 4.34 N ATOM 627 CA SER A 41 26.869 18.091 2.255 1.00 41.34 C ATOM 628 C SER A 41 27.654 19.400 2.257 1.00 74.24 C ATOM 629 O SER A 41 27.334 20.330 1.516 1.00 53.34 O ATOM 630 CB SER A 41 26.687 17.595 0.819 1.00 71.20 C ATOM 631 OG SER A 41 27.926 17.204 0.253 1.00 0.04 O ATOM 0 H SER A 41 24.915 18.843 2.378 1.00 4.34 H new ATOM 0 HA SER A 41 27.433 17.349 2.820 1.00 41.34 H new ATOM 0 HB2 SER A 41 25.996 16.752 0.807 1.00 71.20 H new ATOM 0 HB3 SER A 41 26.239 18.383 0.213 1.00 71.20 H new ATOM 0 HG SER A 41 27.782 16.890 -0.664 1.00 0.04 H new ATOM 637 N LEU A 42 28.682 19.464 3.094 1.00 24.14 N ATOM 638 CA LEU A 42 29.514 20.658 3.194 1.00 4.04 C ATOM 639 C LEU A 42 30.320 20.869 1.916 1.00 20.15 C ATOM 640 O LEU A 42 30.632 22.001 1.547 1.00 25.05 O ATOM 641 CB LEU A 42 30.458 20.547 4.393 1.00 1.22 C ATOM 642 CG LEU A 42 31.346 19.303 4.436 1.00 43.25 C ATOM 643 CD1 LEU A 42 32.614 19.525 3.626 1.00 64.01 C ATOM 644 CD2 LEU A 42 31.686 18.939 5.873 1.00 2.24 C ATOM 0 H LEU A 42 28.960 18.703 3.714 1.00 24.14 H new ATOM 0 HA LEU A 42 28.858 21.517 3.334 1.00 4.04 H new ATOM 0 HB2 LEU A 42 31.100 21.428 4.407 1.00 1.22 H new ATOM 0 HB3 LEU A 42 29.860 20.574 5.304 1.00 1.22 H new ATOM 0 HG LEU A 42 30.796 18.472 3.993 1.00 43.25 H new ATOM 0 HD11 LEU A 42 33.234 18.629 3.668 1.00 64.01 H new ATOM 0 HD12 LEU A 42 32.351 19.736 2.589 1.00 64.01 H new ATOM 0 HD13 LEU A 42 33.167 20.369 4.039 1.00 64.01 H new ATOM 0 HD21 LEU A 42 32.318 18.051 5.884 1.00 2.24 H new ATOM 0 HD22 LEU A 42 32.216 19.768 6.343 1.00 2.24 H new ATOM 0 HD23 LEU A 42 30.768 18.737 6.424 1.00 2.24 H new ATOM 656 N SER A 43 30.651 19.771 1.244 1.00 43.41 N ATOM 657 CA SER A 43 31.422 19.836 0.008 1.00 72.24 C ATOM 658 C SER A 43 30.581 20.412 -1.127 1.00 53.13 C ATOM 659 O SER A 43 31.102 21.059 -2.034 1.00 44.03 O ATOM 660 CB SER A 43 31.930 18.444 -0.375 1.00 12.23 C ATOM 661 OG SER A 43 32.780 17.918 0.629 1.00 30.05 O ATOM 0 H SER A 43 30.398 18.827 1.534 1.00 43.41 H new ATOM 0 HA SER A 43 32.275 20.493 0.175 1.00 72.24 H new ATOM 0 HB2 SER A 43 31.084 17.774 -0.528 1.00 12.23 H new ATOM 0 HB3 SER A 43 32.469 18.498 -1.321 1.00 12.23 H new ATOM 0 HG SER A 43 33.090 17.028 0.362 1.00 30.05 H new ATOM 667 N ASN A 44 29.275 20.172 -1.069 1.00 31.53 N ATOM 668 CA ASN A 44 28.360 20.666 -2.091 1.00 70.43 C ATOM 669 C ASN A 44 27.624 21.911 -1.607 1.00 33.22 C ATOM 670 O ASN A 44 26.824 22.494 -2.338 1.00 41.31 O ATOM 671 CB ASN A 44 27.352 19.579 -2.471 1.00 61.04 C ATOM 672 CG ASN A 44 26.983 19.622 -3.942 1.00 35.04 C ATOM 673 OD1 ASN A 44 27.310 18.711 -4.702 1.00 42.23 O ATOM 674 ND2 ASN A 44 26.297 20.684 -4.348 1.00 74.12 N ATOM 0 H ASN A 44 28.827 19.638 -0.324 1.00 31.53 H new ATOM 0 HA ASN A 44 28.947 20.932 -2.970 1.00 70.43 H new ATOM 0 HB2 ASN A 44 27.769 18.601 -2.232 1.00 61.04 H new ATOM 0 HB3 ASN A 44 26.451 19.697 -1.869 1.00 61.04 H new ATOM 0 HD21 ASN A 44 26.019 20.768 -5.326 1.00 74.12 H new ATOM 0 HD22 ASN A 44 26.048 21.415 -3.682 1.00 74.12 H new ATOM 681 N GLN A 45 27.900 22.311 -0.370 1.00 42.51 N ATOM 682 CA GLN A 45 27.264 23.487 0.212 1.00 51.33 C ATOM 683 C GLN A 45 25.749 23.423 0.050 1.00 72.43 C ATOM 684 O GLN A 45 25.103 24.429 -0.243 1.00 25.40 O ATOM 685 CB GLN A 45 27.804 24.761 -0.440 1.00 45.14 C ATOM 686 CG GLN A 45 29.322 24.852 -0.432 1.00 71.11 C ATOM 687 CD GLN A 45 29.822 26.279 -0.538 1.00 53.23 C ATOM 688 OE1 GLN A 45 30.236 26.880 0.454 1.00 73.32 O ATOM 689 NE2 GLN A 45 29.786 26.831 -1.746 1.00 12.04 N ATOM 0 H GLN A 45 28.559 21.838 0.248 1.00 42.51 H new ATOM 0 HA GLN A 45 27.497 23.505 1.277 1.00 51.33 H new ATOM 0 HB2 GLN A 45 27.451 24.810 -1.470 1.00 45.14 H new ATOM 0 HB3 GLN A 45 27.394 25.627 0.079 1.00 45.14 H new ATOM 0 HG2 GLN A 45 29.704 24.404 0.486 1.00 71.11 H new ATOM 0 HG3 GLN A 45 29.721 24.269 -1.262 1.00 71.11 H new ATOM 0 HE21 GLN A 45 29.435 26.297 -2.541 1.00 12.04 H new ATOM 0 HE22 GLN A 45 30.109 27.789 -1.879 1.00 12.04 H new ATOM 698 N GLU A 46 25.188 22.233 0.242 1.00 62.43 N ATOM 699 CA GLU A 46 23.749 22.038 0.115 1.00 33.33 C ATOM 700 C GLU A 46 23.197 21.267 1.311 1.00 70.40 C ATOM 701 O GLU A 46 23.951 20.676 2.083 1.00 30.43 O ATOM 702 CB GLU A 46 23.425 21.291 -1.180 1.00 55.25 C ATOM 703 CG GLU A 46 23.511 19.780 -1.050 1.00 71.22 C ATOM 704 CD GLU A 46 23.979 19.110 -2.327 1.00 62.14 C ATOM 705 OE1 GLU A 46 23.870 19.739 -3.401 1.00 31.21 O ATOM 706 OE2 GLU A 46 24.455 17.958 -2.254 1.00 35.32 O ATOM 0 H GLU A 46 25.708 21.390 0.486 1.00 62.43 H new ATOM 0 HA GLU A 46 23.276 23.020 0.087 1.00 33.33 H new ATOM 0 HB2 GLU A 46 22.420 21.563 -1.504 1.00 55.25 H new ATOM 0 HB3 GLU A 46 24.112 21.620 -1.960 1.00 55.25 H new ATOM 0 HG2 GLU A 46 24.195 19.527 -0.240 1.00 71.22 H new ATOM 0 HG3 GLU A 46 22.532 19.386 -0.775 1.00 71.22 H new ATOM 713 N ALA A 47 21.876 21.278 1.457 1.00 40.33 N ATOM 714 CA ALA A 47 21.223 20.580 2.556 1.00 34.44 C ATOM 715 C ALA A 47 20.076 19.710 2.051 1.00 44.24 C ATOM 716 O ALA A 47 19.180 20.189 1.356 1.00 43.34 O ATOM 717 CB ALA A 47 20.716 21.577 3.588 1.00 32.51 C ATOM 0 H ALA A 47 21.237 21.763 0.827 1.00 40.33 H new ATOM 0 HA ALA A 47 21.959 19.928 3.027 1.00 34.44 H new ATOM 0 HB1 ALA A 47 20.230 21.041 4.404 1.00 32.51 H new ATOM 0 HB2 ALA A 47 21.554 22.153 3.980 1.00 32.51 H new ATOM 0 HB3 ALA A 47 20.000 22.252 3.120 1.00 32.51 H new ATOM 723 N VAL A 48 20.111 18.429 2.403 1.00 4.03 N ATOM 724 CA VAL A 48 19.075 17.492 1.985 1.00 0.52 C ATOM 725 C VAL A 48 18.183 17.101 3.158 1.00 55.24 C ATOM 726 O VAL A 48 18.670 16.714 4.220 1.00 4.40 O ATOM 727 CB VAL A 48 19.685 16.218 1.371 1.00 53.42 C ATOM 728 CG1 VAL A 48 18.607 15.380 0.701 1.00 33.22 C ATOM 729 CG2 VAL A 48 20.783 16.578 0.382 1.00 64.51 C ATOM 0 H VAL A 48 20.846 18.016 2.977 1.00 4.03 H new ATOM 0 HA VAL A 48 18.475 17.999 1.229 1.00 0.52 H new ATOM 0 HB VAL A 48 20.128 15.625 2.171 1.00 53.42 H new ATOM 0 HG11 VAL A 48 19.056 14.484 0.273 1.00 33.22 H new ATOM 0 HG12 VAL A 48 17.858 15.093 1.439 1.00 33.22 H new ATOM 0 HG13 VAL A 48 18.133 15.962 -0.090 1.00 33.22 H new ATOM 0 HG21 VAL A 48 21.203 15.666 -0.043 1.00 64.51 H new ATOM 0 HG22 VAL A 48 20.366 17.192 -0.417 1.00 64.51 H new ATOM 0 HG23 VAL A 48 21.567 17.134 0.896 1.00 64.51 H new ATOM 739 N ILE A 49 16.873 17.204 2.957 1.00 21.02 N ATOM 740 CA ILE A 49 15.912 16.859 3.998 1.00 41.25 C ATOM 741 C ILE A 49 14.999 15.723 3.548 1.00 3.31 C ATOM 742 O ILE A 49 14.243 15.863 2.586 1.00 32.43 O ATOM 743 CB ILE A 49 15.048 18.072 4.390 1.00 3.14 C ATOM 744 CG1 ILE A 49 15.929 19.304 4.608 1.00 41.11 C ATOM 745 CG2 ILE A 49 14.241 17.764 5.642 1.00 33.14 C ATOM 746 CD1 ILE A 49 16.071 20.171 3.376 1.00 33.23 C ATOM 0 H ILE A 49 16.453 17.523 2.084 1.00 21.02 H new ATOM 0 HA ILE A 49 16.488 16.537 4.866 1.00 41.25 H new ATOM 0 HB ILE A 49 14.354 18.284 3.576 1.00 3.14 H new ATOM 0 HG12 ILE A 49 15.509 19.902 5.417 1.00 41.11 H new ATOM 0 HG13 ILE A 49 16.919 18.981 4.931 1.00 41.11 H new ATOM 0 HG21 ILE A 49 13.635 18.631 5.907 1.00 33.14 H new ATOM 0 HG22 ILE A 49 13.590 16.910 5.454 1.00 33.14 H new ATOM 0 HG23 ILE A 49 14.919 17.530 6.463 1.00 33.14 H new ATOM 0 HD11 ILE A 49 16.708 21.025 3.604 1.00 33.23 H new ATOM 0 HD12 ILE A 49 16.519 19.589 2.571 1.00 33.23 H new ATOM 0 HD13 ILE A 49 15.088 20.524 3.065 1.00 33.23 H new ATOM 758 N THR A 50 15.074 14.598 4.252 1.00 74.22 N ATOM 759 CA THR A 50 14.254 13.437 3.926 1.00 10.55 C ATOM 760 C THR A 50 13.028 13.360 4.829 1.00 21.31 C ATOM 761 O THR A 50 13.149 13.311 6.053 1.00 32.25 O ATOM 762 CB THR A 50 15.056 12.129 4.056 1.00 63.14 C ATOM 763 OG1 THR A 50 16.233 12.193 3.242 1.00 53.24 O ATOM 764 CG2 THR A 50 14.212 10.933 3.642 1.00 52.33 C ATOM 0 H THR A 50 15.694 14.466 5.051 1.00 74.22 H new ATOM 0 HA THR A 50 13.933 13.556 2.891 1.00 10.55 H new ATOM 0 HB THR A 50 15.343 12.007 5.100 1.00 63.14 H new ATOM 0 HG1 THR A 50 16.738 11.358 3.332 1.00 53.24 H new ATOM 0 HG21 THR A 50 14.800 10.021 3.742 1.00 52.33 H new ATOM 0 HG22 THR A 50 13.332 10.870 4.282 1.00 52.33 H new ATOM 0 HG23 THR A 50 13.899 11.050 2.605 1.00 52.33 H new ATOM 772 N TYR A 51 11.849 13.348 4.218 1.00 71.13 N ATOM 773 CA TYR A 51 10.600 13.278 4.967 1.00 61.30 C ATOM 774 C TYR A 51 9.634 12.288 4.324 1.00 72.33 C ATOM 775 O TYR A 51 9.925 11.713 3.275 1.00 32.33 O ATOM 776 CB TYR A 51 9.952 14.661 5.049 1.00 74.41 C ATOM 777 CG TYR A 51 9.130 15.017 3.831 1.00 74.01 C ATOM 778 CD1 TYR A 51 9.704 15.050 2.566 1.00 22.22 C ATOM 779 CD2 TYR A 51 7.779 15.322 3.945 1.00 71.23 C ATOM 780 CE1 TYR A 51 8.957 15.376 1.451 1.00 64.45 C ATOM 781 CE2 TYR A 51 7.024 15.647 2.834 1.00 1.25 C ATOM 782 CZ TYR A 51 7.618 15.673 1.590 1.00 72.13 C ATOM 783 OH TYR A 51 6.870 15.998 0.482 1.00 74.15 O ATOM 0 H TYR A 51 11.732 13.386 3.205 1.00 71.13 H new ATOM 0 HA TYR A 51 10.829 12.931 5.975 1.00 61.30 H new ATOM 0 HB2 TYR A 51 9.315 14.703 5.932 1.00 74.41 H new ATOM 0 HB3 TYR A 51 10.732 15.411 5.183 1.00 74.41 H new ATOM 0 HD1 TYR A 51 10.752 14.817 2.453 1.00 22.22 H new ATOM 0 HD2 TYR A 51 7.311 15.305 4.918 1.00 71.23 H new ATOM 0 HE1 TYR A 51 9.419 15.398 0.475 1.00 64.45 H new ATOM 0 HE2 TYR A 51 5.975 15.879 2.940 1.00 1.25 H new ATOM 0 HH TYR A 51 6.068 15.436 0.453 1.00 74.15 H new ATOM 793 N GLN A 52 8.483 12.096 4.960 1.00 31.33 N ATOM 794 CA GLN A 52 7.473 11.176 4.451 1.00 60.42 C ATOM 795 C GLN A 52 6.145 11.893 4.230 1.00 21.53 C ATOM 796 O GLN A 52 5.687 12.673 5.065 1.00 31.21 O ATOM 797 CB GLN A 52 7.281 10.008 5.420 1.00 10.02 C ATOM 798 CG GLN A 52 6.985 8.686 4.730 1.00 51.42 C ATOM 799 CD GLN A 52 7.339 7.488 5.588 1.00 62.35 C ATOM 800 OE1 GLN A 52 8.485 7.036 5.601 1.00 73.04 O ATOM 801 NE2 GLN A 52 6.356 6.965 6.311 1.00 55.25 N ATOM 0 H GLN A 52 8.227 12.565 5.829 1.00 31.33 H new ATOM 0 HA GLN A 52 7.820 10.790 3.493 1.00 60.42 H new ATOM 0 HB2 GLN A 52 8.180 9.898 6.026 1.00 10.02 H new ATOM 0 HB3 GLN A 52 6.464 10.243 6.102 1.00 10.02 H new ATOM 0 HG2 GLN A 52 5.927 8.644 4.473 1.00 51.42 H new ATOM 0 HG3 GLN A 52 7.543 8.636 3.795 1.00 51.42 H new ATOM 0 HE21 GLN A 52 5.421 7.371 6.270 1.00 55.25 H new ATOM 0 HE22 GLN A 52 6.536 6.157 6.907 1.00 55.25 H new ATOM 810 N PRO A 53 5.511 11.624 3.079 1.00 30.23 N ATOM 811 CA PRO A 53 4.226 12.233 2.722 1.00 4.22 C ATOM 812 C PRO A 53 3.081 11.719 3.587 1.00 14.22 C ATOM 813 O PRO A 53 2.048 12.376 3.721 1.00 1.43 O ATOM 814 CB PRO A 53 4.027 11.811 1.264 1.00 13.44 C ATOM 815 CG PRO A 53 4.816 10.556 1.122 1.00 73.21 C ATOM 816 CD PRO A 53 5.999 10.704 2.038 1.00 31.00 C ATOM 0 HA PRO A 53 4.231 13.313 2.871 1.00 4.22 H new ATOM 0 HB2 PRO A 53 2.973 11.644 1.041 1.00 13.44 H new ATOM 0 HB3 PRO A 53 4.380 12.580 0.577 1.00 13.44 H new ATOM 0 HG2 PRO A 53 4.218 9.686 1.394 1.00 73.21 H new ATOM 0 HG3 PRO A 53 5.137 10.412 0.090 1.00 73.21 H new ATOM 0 HD2 PRO A 53 6.304 9.746 2.459 1.00 31.00 H new ATOM 0 HD3 PRO A 53 6.864 11.112 1.515 1.00 31.00 H new ATOM 824 N TYR A 54 3.270 10.542 4.172 1.00 34.23 N ATOM 825 CA TYR A 54 2.250 9.939 5.023 1.00 25.12 C ATOM 826 C TYR A 54 2.273 10.554 6.419 1.00 31.23 C ATOM 827 O TYR A 54 1.334 10.387 7.199 1.00 2.33 O ATOM 828 CB TYR A 54 2.463 8.427 5.116 1.00 1.03 C ATOM 829 CG TYR A 54 1.766 7.789 6.297 1.00 51.04 C ATOM 830 CD1 TYR A 54 2.381 7.726 7.541 1.00 74.01 C ATOM 831 CD2 TYR A 54 0.492 7.250 6.167 1.00 13.03 C ATOM 832 CE1 TYR A 54 1.748 7.143 8.622 1.00 55.34 C ATOM 833 CE2 TYR A 54 -0.150 6.667 7.243 1.00 24.30 C ATOM 834 CZ TYR A 54 0.483 6.615 8.468 1.00 54.32 C ATOM 835 OH TYR A 54 -0.152 6.035 9.542 1.00 0.33 O ATOM 0 H TYR A 54 4.119 9.986 4.073 1.00 34.23 H new ATOM 0 HA TYR A 54 1.276 10.135 4.575 1.00 25.12 H new ATOM 0 HB2 TYR A 54 2.105 7.961 4.198 1.00 1.03 H new ATOM 0 HB3 TYR A 54 3.532 8.222 5.181 1.00 1.03 H new ATOM 0 HD1 TYR A 54 3.371 8.140 7.665 1.00 74.01 H new ATOM 0 HD2 TYR A 54 -0.005 7.287 5.209 1.00 13.03 H new ATOM 0 HE1 TYR A 54 2.241 7.101 9.582 1.00 55.34 H new ATOM 0 HE2 TYR A 54 -1.141 6.255 7.126 1.00 24.30 H new ATOM 0 HH TYR A 54 -1.036 5.714 9.265 1.00 0.33 H new ATOM 845 N LEU A 55 3.351 11.266 6.728 1.00 62.25 N ATOM 846 CA LEU A 55 3.498 11.908 8.029 1.00 32.33 C ATOM 847 C LEU A 55 3.370 13.423 7.907 1.00 34.40 C ATOM 848 O LEU A 55 2.371 14.007 8.328 1.00 33.33 O ATOM 849 CB LEU A 55 4.849 11.547 8.648 1.00 4.14 C ATOM 850 CG LEU A 55 5.177 10.055 8.723 1.00 12.43 C ATOM 851 CD1 LEU A 55 6.653 9.847 9.026 1.00 54.33 C ATOM 852 CD2 LEU A 55 4.314 9.372 9.774 1.00 53.01 C ATOM 0 H LEU A 55 4.137 11.413 6.095 1.00 62.25 H new ATOM 0 HA LEU A 55 2.700 11.546 8.677 1.00 32.33 H new ATOM 0 HB2 LEU A 55 5.633 12.042 8.075 1.00 4.14 H new ATOM 0 HB3 LEU A 55 4.885 11.957 9.657 1.00 4.14 H new ATOM 0 HG LEU A 55 4.959 9.606 7.754 1.00 12.43 H new ATOM 0 HD11 LEU A 55 6.867 8.779 9.076 1.00 54.33 H new ATOM 0 HD12 LEU A 55 7.254 10.302 8.238 1.00 54.33 H new ATOM 0 HD13 LEU A 55 6.897 10.311 9.982 1.00 54.33 H new ATOM 0 HD21 LEU A 55 4.561 8.311 9.814 1.00 53.01 H new ATOM 0 HD22 LEU A 55 4.500 9.825 10.748 1.00 53.01 H new ATOM 0 HD23 LEU A 55 3.262 9.490 9.514 1.00 53.01 H new ATOM 864 N ILE A 56 4.385 14.052 7.326 1.00 4.24 N ATOM 865 CA ILE A 56 4.384 15.499 7.146 1.00 63.53 C ATOM 866 C ILE A 56 4.524 15.869 5.673 1.00 70.30 C ATOM 867 O ILE A 56 5.064 15.099 4.879 1.00 43.53 O ATOM 868 CB ILE A 56 5.522 16.166 7.941 1.00 15.22 C ATOM 869 CG1 ILE A 56 5.425 17.689 7.831 1.00 53.21 C ATOM 870 CG2 ILE A 56 6.874 15.678 7.443 1.00 53.40 C ATOM 871 CD1 ILE A 56 6.437 18.422 8.682 1.00 3.35 C ATOM 0 H ILE A 56 5.219 13.583 6.972 1.00 4.24 H new ATOM 0 HA ILE A 56 3.428 15.863 7.521 1.00 63.53 H new ATOM 0 HB ILE A 56 5.423 15.889 8.991 1.00 15.22 H new ATOM 0 HG12 ILE A 56 5.560 17.979 6.789 1.00 53.21 H new ATOM 0 HG13 ILE A 56 4.422 18.003 8.122 1.00 53.21 H new ATOM 0 HG21 ILE A 56 7.668 16.159 8.015 1.00 53.40 H new ATOM 0 HG22 ILE A 56 6.940 14.597 7.569 1.00 53.40 H new ATOM 0 HG23 ILE A 56 6.985 15.928 6.388 1.00 53.40 H new ATOM 0 HD11 ILE A 56 6.310 19.497 8.554 1.00 3.35 H new ATOM 0 HD12 ILE A 56 6.288 18.161 9.730 1.00 3.35 H new ATOM 0 HD13 ILE A 56 7.444 18.137 8.377 1.00 3.35 H new ATOM 883 N GLN A 57 4.035 17.052 5.317 1.00 74.01 N ATOM 884 CA GLN A 57 4.106 17.524 3.939 1.00 2.53 C ATOM 885 C GLN A 57 5.431 18.233 3.675 1.00 73.32 C ATOM 886 O GLN A 57 6.179 18.566 4.594 1.00 31.21 O ATOM 887 CB GLN A 57 2.941 18.469 3.641 1.00 53.13 C ATOM 888 CG GLN A 57 1.818 17.819 2.848 1.00 45.04 C ATOM 889 CD GLN A 57 0.956 16.907 3.697 1.00 14.14 C ATOM 890 OE1 GLN A 57 0.736 15.745 3.355 1.00 54.00 O ATOM 891 NE2 GLN A 57 0.461 17.430 4.813 1.00 4.25 N ATOM 0 H GLN A 57 3.586 17.701 5.963 1.00 74.01 H new ATOM 0 HA GLN A 57 4.040 16.658 3.280 1.00 2.53 H new ATOM 0 HB2 GLN A 57 2.540 18.845 4.582 1.00 53.13 H new ATOM 0 HB3 GLN A 57 3.315 19.330 3.087 1.00 53.13 H new ATOM 0 HG2 GLN A 57 1.193 18.596 2.407 1.00 45.04 H new ATOM 0 HG3 GLN A 57 2.244 17.246 2.024 1.00 45.04 H new ATOM 0 HE21 GLN A 57 0.669 18.398 5.058 1.00 4.25 H new ATOM 0 HE22 GLN A 57 -0.127 16.864 5.425 1.00 4.25 H new ATOM 900 N PRO A 58 5.730 18.469 2.389 1.00 74.33 N ATOM 901 CA PRO A 58 6.965 19.140 1.973 1.00 30.24 C ATOM 902 C PRO A 58 6.976 20.618 2.349 1.00 23.41 C ATOM 903 O PRO A 58 7.976 21.132 2.850 1.00 73.21 O ATOM 904 CB PRO A 58 6.964 18.975 0.452 1.00 72.14 C ATOM 905 CG PRO A 58 5.527 18.820 0.088 1.00 24.25 C ATOM 906 CD PRO A 58 4.884 18.099 1.241 1.00 44.10 C ATOM 0 HA PRO A 58 7.843 18.716 2.460 1.00 30.24 H new ATOM 0 HB2 PRO A 58 7.406 19.841 -0.040 1.00 72.14 H new ATOM 0 HB3 PRO A 58 7.545 18.105 0.148 1.00 72.14 H new ATOM 0 HG2 PRO A 58 5.059 19.791 -0.075 1.00 24.25 H new ATOM 0 HG3 PRO A 58 5.417 18.253 -0.837 1.00 24.25 H new ATOM 0 HD2 PRO A 58 3.850 18.413 1.386 1.00 44.10 H new ATOM 0 HD3 PRO A 58 4.870 17.021 1.083 1.00 44.10 H new ATOM 914 N GLU A 59 5.859 21.295 2.104 1.00 33.51 N ATOM 915 CA GLU A 59 5.742 22.714 2.417 1.00 31.11 C ATOM 916 C GLU A 59 5.920 22.958 3.913 1.00 62.31 C ATOM 917 O GLU A 59 6.506 23.960 4.324 1.00 73.31 O ATOM 918 CB GLU A 59 4.383 23.249 1.960 1.00 3.53 C ATOM 919 CG GLU A 59 4.312 24.767 1.912 1.00 20.51 C ATOM 920 CD GLU A 59 2.897 25.289 2.070 1.00 44.42 C ATOM 921 OE1 GLU A 59 2.354 25.199 3.191 1.00 52.24 O ATOM 922 OE2 GLU A 59 2.334 25.788 1.073 1.00 1.23 O ATOM 0 H GLU A 59 5.022 20.884 1.690 1.00 33.51 H new ATOM 0 HA GLU A 59 6.531 23.244 1.884 1.00 31.11 H new ATOM 0 HB2 GLU A 59 4.160 22.852 0.970 1.00 3.53 H new ATOM 0 HB3 GLU A 59 3.611 22.878 2.634 1.00 3.53 H new ATOM 0 HG2 GLU A 59 4.939 25.182 2.702 1.00 20.51 H new ATOM 0 HG3 GLU A 59 4.721 25.117 0.964 1.00 20.51 H new ATOM 929 N ASP A 60 5.411 22.035 4.721 1.00 31.23 N ATOM 930 CA ASP A 60 5.514 22.148 6.172 1.00 53.14 C ATOM 931 C ASP A 60 6.962 21.995 6.627 1.00 15.44 C ATOM 932 O ASP A 60 7.434 22.737 7.490 1.00 14.11 O ATOM 933 CB ASP A 60 4.638 21.093 6.850 1.00 4.22 C ATOM 934 CG ASP A 60 3.623 21.705 7.795 1.00 34.51 C ATOM 935 OD1 ASP A 60 2.531 22.088 7.325 1.00 44.21 O ATOM 936 OD2 ASP A 60 3.919 21.800 9.005 1.00 41.14 O ATOM 0 H ASP A 60 4.923 21.200 4.397 1.00 31.23 H new ATOM 0 HA ASP A 60 5.164 23.139 6.461 1.00 53.14 H new ATOM 0 HB2 ASP A 60 4.117 20.513 6.088 1.00 4.22 H new ATOM 0 HB3 ASP A 60 5.272 20.399 7.402 1.00 4.22 H new ATOM 941 N LEU A 61 7.661 21.029 6.044 1.00 61.34 N ATOM 942 CA LEU A 61 9.056 20.777 6.390 1.00 13.42 C ATOM 943 C LEU A 61 9.946 21.929 5.935 1.00 61.04 C ATOM 944 O LEU A 61 11.004 22.175 6.514 1.00 40.40 O ATOM 945 CB LEU A 61 9.531 19.469 5.757 1.00 63.40 C ATOM 946 CG LEU A 61 10.283 19.598 4.432 1.00 50.53 C ATOM 947 CD1 LEU A 61 11.764 19.841 4.680 1.00 54.55 C ATOM 948 CD2 LEU A 61 10.080 18.354 3.579 1.00 1.34 C ATOM 0 H LEU A 61 7.285 20.406 5.329 1.00 61.34 H new ATOM 0 HA LEU A 61 9.127 20.694 7.475 1.00 13.42 H new ATOM 0 HB2 LEU A 61 10.177 18.957 6.470 1.00 63.40 H new ATOM 0 HB3 LEU A 61 8.663 18.829 5.598 1.00 63.40 H new ATOM 0 HG LEU A 61 9.881 20.454 3.891 1.00 50.53 H new ATOM 0 HD11 LEU A 61 12.283 19.930 3.726 1.00 54.55 H new ATOM 0 HD12 LEU A 61 11.891 20.762 5.250 1.00 54.55 H new ATOM 0 HD13 LEU A 61 12.181 19.006 5.243 1.00 54.55 H new ATOM 0 HD21 LEU A 61 10.623 18.464 2.640 1.00 1.34 H new ATOM 0 HD22 LEU A 61 10.454 17.481 4.114 1.00 1.34 H new ATOM 0 HD23 LEU A 61 9.018 18.225 3.371 1.00 1.34 H new ATOM 960 N ARG A 62 9.509 22.632 4.895 1.00 45.12 N ATOM 961 CA ARG A 62 10.266 23.759 4.362 1.00 24.42 C ATOM 962 C ARG A 62 10.559 24.783 5.455 1.00 33.41 C ATOM 963 O ARG A 62 11.663 25.320 5.536 1.00 2.34 O ATOM 964 CB ARG A 62 9.497 24.423 3.219 1.00 72.31 C ATOM 965 CG ARG A 62 10.192 25.648 2.648 1.00 14.00 C ATOM 966 CD ARG A 62 10.430 25.507 1.153 1.00 53.43 C ATOM 967 NE ARG A 62 9.200 25.194 0.430 1.00 61.22 N ATOM 968 CZ ARG A 62 8.210 26.062 0.252 1.00 22.34 C ATOM 969 NH1 ARG A 62 8.305 27.290 0.743 1.00 43.04 N ATOM 970 NH2 ARG A 62 7.123 25.702 -0.417 1.00 34.31 N ATOM 0 H ARG A 62 8.635 22.441 4.405 1.00 45.12 H new ATOM 0 HA ARG A 62 11.214 23.379 3.980 1.00 24.42 H new ATOM 0 HB2 ARG A 62 9.349 23.695 2.421 1.00 72.31 H new ATOM 0 HB3 ARG A 62 8.508 24.710 3.576 1.00 72.31 H new ATOM 0 HG2 ARG A 62 9.586 26.534 2.839 1.00 14.00 H new ATOM 0 HG3 ARG A 62 11.144 25.798 3.157 1.00 14.00 H new ATOM 0 HD2 ARG A 62 10.853 26.433 0.764 1.00 53.43 H new ATOM 0 HD3 ARG A 62 11.165 24.722 0.975 1.00 53.43 H new ATOM 0 HE ARG A 62 9.095 24.257 0.040 1.00 61.22 H new ATOM 0 HH11 ARG A 62 9.139 27.570 1.259 1.00 43.04 H new ATOM 0 HH12 ARG A 62 7.544 27.955 0.605 1.00 43.04 H new ATOM 0 HH21 ARG A 62 7.046 24.758 -0.795 1.00 34.31 H new ATOM 0 HH22 ARG A 62 6.364 26.369 -0.553 1.00 34.31 H new ATOM 984 N ASP A 63 9.562 25.047 6.292 1.00 12.33 N ATOM 985 CA ASP A 63 9.712 26.006 7.381 1.00 53.23 C ATOM 986 C ASP A 63 10.734 25.515 8.401 1.00 34.42 C ATOM 987 O ASP A 63 11.503 26.302 8.953 1.00 25.50 O ATOM 988 CB ASP A 63 8.365 26.248 8.065 1.00 42.23 C ATOM 989 CG ASP A 63 8.450 27.300 9.154 1.00 73.53 C ATOM 990 OD1 ASP A 63 9.330 28.180 9.060 1.00 12.34 O ATOM 991 OD2 ASP A 63 7.636 27.241 10.100 1.00 43.02 O ATOM 0 H ASP A 63 8.642 24.611 6.238 1.00 12.33 H new ATOM 0 HA ASP A 63 10.070 26.945 6.959 1.00 53.23 H new ATOM 0 HB2 ASP A 63 7.633 26.559 7.320 1.00 42.23 H new ATOM 0 HB3 ASP A 63 8.005 25.313 8.494 1.00 42.23 H new ATOM 996 N HIS A 64 10.734 24.208 8.648 1.00 4.54 N ATOM 997 CA HIS A 64 11.661 23.612 9.603 1.00 24.33 C ATOM 998 C HIS A 64 13.107 23.865 9.188 1.00 64.25 C ATOM 999 O HIS A 64 13.971 24.118 10.028 1.00 73.20 O ATOM 1000 CB HIS A 64 11.408 22.109 9.721 1.00 20.51 C ATOM 1001 CG HIS A 64 12.544 21.356 10.343 1.00 42.42 C ATOM 1002 ND1 HIS A 64 13.235 21.813 11.446 1.00 72.33 N ATOM 1003 CD2 HIS A 64 13.109 20.172 10.011 1.00 73.21 C ATOM 1004 CE1 HIS A 64 14.176 20.942 11.764 1.00 0.22 C ATOM 1005 NE2 HIS A 64 14.120 19.937 10.909 1.00 24.12 N ATOM 0 H HIS A 64 10.103 23.543 8.200 1.00 4.54 H new ATOM 0 HA HIS A 64 11.493 24.079 10.574 1.00 24.33 H new ATOM 0 HB2 HIS A 64 10.508 21.946 10.313 1.00 20.51 H new ATOM 0 HB3 HIS A 64 11.214 21.703 8.728 1.00 20.51 H new ATOM 0 HD2 HIS A 64 12.818 19.531 9.192 1.00 73.21 H new ATOM 0 HE1 HIS A 64 14.873 21.036 12.584 1.00 0.22 H new ATOM 0 HE2 HIS A 64 14.729 19.119 10.915 1.00 24.12 H new ATOM 1013 N VAL A 65 13.365 23.794 7.885 1.00 13.13 N ATOM 1014 CA VAL A 65 14.706 24.016 7.358 1.00 72.32 C ATOM 1015 C VAL A 65 15.221 25.402 7.730 1.00 34.41 C ATOM 1016 O VAL A 65 16.354 25.552 8.184 1.00 12.43 O ATOM 1017 CB VAL A 65 14.739 23.862 5.826 1.00 53.34 C ATOM 1018 CG1 VAL A 65 16.169 23.931 5.313 1.00 61.34 C ATOM 1019 CG2 VAL A 65 14.075 22.559 5.407 1.00 40.23 C ATOM 0 H VAL A 65 12.663 23.584 7.176 1.00 13.13 H new ATOM 0 HA VAL A 65 15.351 23.260 7.806 1.00 72.32 H new ATOM 0 HB VAL A 65 14.180 24.686 5.383 1.00 53.34 H new ATOM 0 HG11 VAL A 65 16.172 23.820 4.229 1.00 61.34 H new ATOM 0 HG12 VAL A 65 16.606 24.893 5.581 1.00 61.34 H new ATOM 0 HG13 VAL A 65 16.755 23.129 5.761 1.00 61.34 H new ATOM 0 HG21 VAL A 65 14.107 22.467 4.321 1.00 40.23 H new ATOM 0 HG22 VAL A 65 14.604 21.720 5.858 1.00 40.23 H new ATOM 0 HG23 VAL A 65 13.037 22.556 5.741 1.00 40.23 H new ATOM 1029 N ASN A 66 14.379 26.412 7.535 1.00 61.44 N ATOM 1030 CA ASN A 66 14.749 27.787 7.850 1.00 60.42 C ATOM 1031 C ASN A 66 14.947 27.966 9.352 1.00 64.21 C ATOM 1032 O ASN A 66 15.788 28.753 9.788 1.00 71.31 O ATOM 1033 CB ASN A 66 13.675 28.754 7.347 1.00 64.31 C ATOM 1034 CG ASN A 66 13.768 30.115 8.009 1.00 53.13 C ATOM 1035 OD1 ASN A 66 14.486 30.998 7.540 1.00 3.01 O ATOM 1036 ND2 ASN A 66 13.039 30.291 9.105 1.00 74.33 N ATOM 0 H ASN A 66 13.436 26.304 7.161 1.00 61.44 H new ATOM 0 HA ASN A 66 15.691 28.008 7.348 1.00 60.42 H new ATOM 0 HB2 ASN A 66 13.771 28.871 6.268 1.00 64.31 H new ATOM 0 HB3 ASN A 66 12.689 28.328 7.535 1.00 64.31 H new ATOM 0 HD21 ASN A 66 13.060 31.186 9.593 1.00 74.33 H new ATOM 0 HD22 ASN A 66 12.458 29.531 9.458 1.00 74.33 H new ATOM 1043 N ASP A 67 14.169 27.230 10.138 1.00 53.43 N ATOM 1044 CA ASP A 67 14.260 27.306 11.591 1.00 15.32 C ATOM 1045 C ASP A 67 15.670 26.971 12.066 1.00 41.22 C ATOM 1046 O ASP A 67 16.079 27.368 13.156 1.00 1.44 O ATOM 1047 CB ASP A 67 13.251 26.354 12.237 1.00 43.52 C ATOM 1048 CG ASP A 67 12.864 26.785 13.638 1.00 71.11 C ATOM 1049 OD1 ASP A 67 13.718 26.693 14.544 1.00 62.31 O ATOM 1050 OD2 ASP A 67 11.706 27.213 13.829 1.00 42.13 O ATOM 0 H ASP A 67 13.468 26.574 9.793 1.00 53.43 H new ATOM 0 HA ASP A 67 14.028 28.328 11.892 1.00 15.32 H new ATOM 0 HB2 ASP A 67 12.357 26.301 11.616 1.00 43.52 H new ATOM 0 HB3 ASP A 67 13.674 25.350 12.273 1.00 43.52 H new ATOM 1055 N MET A 68 16.408 26.237 11.240 1.00 42.24 N ATOM 1056 CA MET A 68 17.773 25.849 11.575 1.00 22.03 C ATOM 1057 C MET A 68 18.681 27.072 11.661 1.00 72.11 C ATOM 1058 O MET A 68 19.790 26.998 12.188 1.00 61.14 O ATOM 1059 CB MET A 68 18.317 24.867 10.536 1.00 43.22 C ATOM 1060 CG MET A 68 17.639 23.507 10.571 1.00 51.44 C ATOM 1061 SD MET A 68 17.785 22.618 9.009 1.00 55.33 S ATOM 1062 CE MET A 68 19.481 22.986 8.567 1.00 72.03 C ATOM 0 H MET A 68 16.084 25.899 10.334 1.00 42.24 H new ATOM 0 HA MET A 68 17.756 25.362 12.550 1.00 22.03 H new ATOM 0 HB2 MET A 68 18.196 25.298 9.542 1.00 43.22 H new ATOM 0 HB3 MET A 68 19.387 24.735 10.698 1.00 43.22 H new ATOM 0 HG2 MET A 68 18.078 22.907 11.368 1.00 51.44 H new ATOM 0 HG3 MET A 68 16.584 23.637 10.813 1.00 51.44 H new ATOM 0 HE1 MET A 68 19.859 22.212 7.900 1.00 72.03 H new ATOM 0 HE2 MET A 68 19.524 23.952 8.064 1.00 72.03 H new ATOM 0 HE3 MET A 68 20.093 23.019 9.468 1.00 72.03 H new ATOM 1072 N GLY A 69 18.202 28.197 11.139 1.00 54.03 N ATOM 1073 CA GLY A 69 18.983 29.419 11.166 1.00 3.42 C ATOM 1074 C GLY A 69 19.948 29.517 10.001 1.00 24.24 C ATOM 1075 O GLY A 69 20.953 30.225 10.075 1.00 31.15 O ATOM 0 H GLY A 69 17.286 28.283 10.698 1.00 54.03 H new ATOM 0 HA2 GLY A 69 18.310 30.277 11.150 1.00 3.42 H new ATOM 0 HA3 GLY A 69 19.541 29.469 12.101 1.00 3.42 H new ATOM 1079 N PHE A 70 19.645 28.803 8.923 1.00 62.45 N ATOM 1080 CA PHE A 70 20.495 28.809 7.737 1.00 0.45 C ATOM 1081 C PHE A 70 19.856 29.621 6.614 1.00 35.43 C ATOM 1082 O PHE A 70 18.779 30.193 6.784 1.00 65.23 O ATOM 1083 CB PHE A 70 20.757 27.378 7.263 1.00 14.42 C ATOM 1084 CG PHE A 70 21.629 26.588 8.196 1.00 72.20 C ATOM 1085 CD1 PHE A 70 21.168 26.217 9.449 1.00 64.20 C ATOM 1086 CD2 PHE A 70 22.910 26.216 7.820 1.00 54.01 C ATOM 1087 CE1 PHE A 70 21.968 25.489 10.310 1.00 63.13 C ATOM 1088 CE2 PHE A 70 23.714 25.488 8.676 1.00 32.21 C ATOM 1089 CZ PHE A 70 23.243 25.125 9.923 1.00 62.11 C ATOM 0 H PHE A 70 18.817 28.212 8.845 1.00 62.45 H new ATOM 0 HA PHE A 70 21.444 29.275 8.003 1.00 0.45 H new ATOM 0 HB2 PHE A 70 19.804 26.862 7.145 1.00 14.42 H new ATOM 0 HB3 PHE A 70 21.226 27.410 6.280 1.00 14.42 H new ATOM 0 HD1 PHE A 70 20.172 26.500 9.757 1.00 64.20 H new ATOM 0 HD2 PHE A 70 23.284 26.498 6.847 1.00 54.01 H new ATOM 0 HE1 PHE A 70 21.597 25.205 11.284 1.00 63.13 H new ATOM 0 HE2 PHE A 70 24.710 25.203 8.370 1.00 32.21 H new ATOM 0 HZ PHE A 70 23.871 24.558 10.594 1.00 62.11 H new ATOM 1099 N GLU A 71 20.527 29.665 5.468 1.00 62.21 N ATOM 1100 CA GLU A 71 20.025 30.407 4.317 1.00 22.14 C ATOM 1101 C GLU A 71 19.458 29.459 3.264 1.00 15.54 C ATOM 1102 O GLU A 71 19.126 29.875 2.155 1.00 53.13 O ATOM 1103 CB GLU A 71 21.140 31.258 3.706 1.00 51.04 C ATOM 1104 CG GLU A 71 20.650 32.571 3.117 1.00 23.43 C ATOM 1105 CD GLU A 71 20.401 32.484 1.624 1.00 23.21 C ATOM 1106 OE1 GLU A 71 21.243 31.895 0.915 1.00 64.22 O ATOM 1107 OE2 GLU A 71 19.363 33.005 1.165 1.00 3.11 O ATOM 0 H GLU A 71 21.419 29.196 5.311 1.00 62.21 H new ATOM 0 HA GLU A 71 19.224 31.062 4.660 1.00 22.14 H new ATOM 0 HB2 GLU A 71 21.886 31.469 4.472 1.00 51.04 H new ATOM 0 HB3 GLU A 71 21.638 30.683 2.926 1.00 51.04 H new ATOM 0 HG2 GLU A 71 19.729 32.868 3.618 1.00 23.43 H new ATOM 0 HG3 GLU A 71 21.386 33.350 3.314 1.00 23.43 H new ATOM 1114 N ALA A 72 19.350 28.184 3.621 1.00 33.23 N ATOM 1115 CA ALA A 72 18.821 27.177 2.709 1.00 44.41 C ATOM 1116 C ALA A 72 17.609 27.706 1.951 1.00 52.45 C ATOM 1117 O ALA A 72 16.740 28.359 2.528 1.00 42.40 O ATOM 1118 CB ALA A 72 18.458 25.912 3.472 1.00 64.02 C ATOM 0 H ALA A 72 19.622 27.823 4.536 1.00 33.23 H new ATOM 0 HA ALA A 72 19.596 26.939 1.981 1.00 44.41 H new ATOM 0 HB1 ALA A 72 18.064 25.169 2.778 1.00 64.02 H new ATOM 0 HB2 ALA A 72 19.347 25.515 3.963 1.00 64.02 H new ATOM 0 HB3 ALA A 72 17.702 26.144 4.222 1.00 64.02 H new ATOM 1124 N ALA A 73 17.557 27.421 0.654 1.00 71.34 N ATOM 1125 CA ALA A 73 16.450 27.867 -0.183 1.00 71.22 C ATOM 1126 C ALA A 73 16.008 26.766 -1.142 1.00 44.31 C ATOM 1127 O ALA A 73 16.755 25.823 -1.405 1.00 0.10 O ATOM 1128 CB ALA A 73 16.843 29.117 -0.956 1.00 62.34 C ATOM 0 H ALA A 73 18.269 26.883 0.160 1.00 71.34 H new ATOM 0 HA ALA A 73 15.608 28.105 0.467 1.00 71.22 H new ATOM 0 HB1 ALA A 73 16.007 29.439 -1.577 1.00 62.34 H new ATOM 0 HB2 ALA A 73 17.102 29.911 -0.256 1.00 62.34 H new ATOM 0 HB3 ALA A 73 17.702 28.898 -1.590 1.00 62.34 H new ATOM 1134 N ILE A 74 14.792 26.893 -1.661 1.00 34.14 N ATOM 1135 CA ILE A 74 14.252 25.909 -2.590 1.00 71.25 C ATOM 1136 C ILE A 74 15.039 25.897 -3.897 1.00 15.42 C ATOM 1137 O ILE A 74 15.275 26.944 -4.501 1.00 64.42 O ATOM 1138 CB ILE A 74 12.768 26.181 -2.900 1.00 41.42 C ATOM 1139 CG1 ILE A 74 11.971 26.322 -1.602 1.00 30.12 C ATOM 1140 CG2 ILE A 74 12.194 25.068 -3.763 1.00 32.52 C ATOM 1141 CD1 ILE A 74 10.540 26.764 -1.816 1.00 3.21 C ATOM 0 H ILE A 74 14.162 27.668 -1.454 1.00 34.14 H new ATOM 0 HA ILE A 74 14.341 24.937 -2.106 1.00 71.25 H new ATOM 0 HB ILE A 74 12.693 27.117 -3.453 1.00 41.42 H new ATOM 0 HG12 ILE A 74 11.973 25.366 -1.078 1.00 30.12 H new ATOM 0 HG13 ILE A 74 12.472 27.041 -0.954 1.00 30.12 H new ATOM 0 HG21 ILE A 74 11.145 25.275 -3.973 1.00 32.52 H new ATOM 0 HG22 ILE A 74 12.748 25.012 -4.700 1.00 32.52 H new ATOM 0 HG23 ILE A 74 12.278 24.118 -3.235 1.00 32.52 H new ATOM 0 HD11 ILE A 74 10.036 26.843 -0.853 1.00 3.21 H new ATOM 0 HD12 ILE A 74 10.529 27.735 -2.312 1.00 3.21 H new ATOM 0 HD13 ILE A 74 10.023 26.033 -2.438 1.00 3.21 H new ATOM 1153 N LYS A 75 15.440 24.707 -4.329 1.00 21.12 N ATOM 1154 CA LYS A 75 16.198 24.557 -5.566 1.00 33.24 C ATOM 1155 C LYS A 75 15.505 25.277 -6.718 1.00 64.45 C ATOM 1156 O LYS A 75 16.158 25.745 -7.651 1.00 53.32 O ATOM 1157 CB LYS A 75 16.370 23.075 -5.906 1.00 30.34 C ATOM 1158 CG LYS A 75 15.153 22.458 -6.573 1.00 14.22 C ATOM 1159 CD LYS A 75 14.019 22.251 -5.582 1.00 61.14 C ATOM 1160 CE LYS A 75 14.399 21.250 -4.502 1.00 60.10 C ATOM 1161 NZ LYS A 75 13.498 20.064 -4.503 1.00 64.02 N ATOM 0 H LYS A 75 15.253 23.831 -3.841 1.00 21.12 H new ATOM 0 HA LYS A 75 17.180 25.006 -5.418 1.00 33.24 H new ATOM 0 HB2 LYS A 75 17.232 22.959 -6.563 1.00 30.34 H new ATOM 0 HB3 LYS A 75 16.591 22.524 -4.992 1.00 30.34 H new ATOM 0 HG2 LYS A 75 14.815 23.103 -7.384 1.00 14.22 H new ATOM 0 HG3 LYS A 75 15.427 21.502 -7.019 1.00 14.22 H new ATOM 0 HD2 LYS A 75 13.759 23.204 -5.121 1.00 61.14 H new ATOM 0 HD3 LYS A 75 13.133 21.899 -6.110 1.00 61.14 H new ATOM 0 HE2 LYS A 75 15.428 20.924 -4.654 1.00 60.10 H new ATOM 0 HE3 LYS A 75 14.359 21.735 -3.527 1.00 60.10 H new ATOM 0 HZ1 LYS A 75 13.928 19.301 -3.942 1.00 64.02 H new ATOM 0 HZ2 LYS A 75 12.581 20.325 -4.088 1.00 64.02 H new ATOM 0 HZ3 LYS A 75 13.356 19.737 -5.480 1.00 64.02 H new ATOM 1175 N SER A 76 14.181 25.362 -6.647 1.00 31.21 N ATOM 1176 CA SER A 76 13.400 26.023 -7.686 1.00 62.21 C ATOM 1177 C SER A 76 12.718 27.273 -7.140 1.00 53.42 C ATOM 1178 O SER A 76 11.861 27.862 -7.797 1.00 75.44 O ATOM 1179 CB SER A 76 12.353 25.063 -8.255 1.00 12.53 C ATOM 1180 OG SER A 76 11.779 25.581 -9.443 1.00 22.42 O ATOM 0 H SER A 76 13.626 24.981 -5.881 1.00 31.21 H new ATOM 0 HA SER A 76 14.080 26.321 -8.484 1.00 62.21 H new ATOM 0 HB2 SER A 76 12.814 24.097 -8.461 1.00 12.53 H new ATOM 0 HB3 SER A 76 11.572 24.891 -7.515 1.00 12.53 H new ATOM 0 HG SER A 76 11.506 26.511 -9.296 1.00 22.42 H new TER 1186 SER A 76