USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 14 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 33 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.2) USER MOD Set 2.1: A 7 THR OG1 : rot 117:sc= 0.0129 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.23 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= 1.08 K(o=1.1,f=0.077) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 1.15 (180deg=0.79) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0296 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.736 K(o=0.74,f=-0.76) USER MOD Single : A 27 LYS NZ :NH3+ -130:sc= 0.217 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.1) USER MOD Single : A 31 GLN : amide:sc= -0.738 X(o=-0.74,f=-1.2) USER MOD Single : A 40 GLN : amide:sc= -0.0957 K(o=-0.096,f=-0.68) USER MOD Single : A 41 GLN : amide:sc= 0.507 K(o=0.51,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0275) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 55 THR OG1 : rot -79:sc= 1.39 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.187 USER MOD Single : A 60 ASN : amide:sc= -0.0977 K(o=-0.098,f=-0.66) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.147 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00977 X(o=-0.0098,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.278 52.042 19.568 1.00 0.00 N ATOM 2 CA MET A 1 33.515 52.315 20.994 1.00 0.00 C ATOM 3 C MET A 1 35.011 52.527 21.233 1.00 0.00 C ATOM 4 O MET A 1 35.830 51.932 20.537 1.00 0.00 O ATOM 5 CB MET A 1 32.950 51.230 21.907 1.00 0.00 C ATOM 6 CG MET A 1 33.653 49.879 21.798 1.00 0.00 C ATOM 7 SD MET A 1 32.951 48.588 22.855 1.00 0.00 S ATOM 8 CE MET A 1 34.210 47.300 22.667 1.00 0.00 C ATOM 0 H1 MET A 1 32.294 51.733 19.433 1.00 0.00 H new ATOM 0 H2 MET A 1 33.448 52.907 19.016 1.00 0.00 H new ATOM 0 H3 MET A 1 33.924 51.293 19.246 1.00 0.00 H new ATOM 0 HA MET A 1 32.977 53.227 21.253 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.011 51.574 22.939 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.893 51.095 21.678 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.614 49.545 20.761 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.705 50.008 22.052 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.930 46.428 23.258 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.287 47.017 21.617 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.172 47.678 23.013 1.00 0.00 H new ATOM 20 N GLN A 2 35.351 53.342 22.227 1.00 0.00 N ATOM 21 CA GLN A 2 36.724 53.600 22.613 1.00 0.00 C ATOM 22 C GLN A 2 37.172 52.697 23.765 1.00 0.00 C ATOM 23 O GLN A 2 36.432 52.486 24.723 1.00 0.00 O ATOM 24 CB GLN A 2 36.890 55.085 22.922 1.00 0.00 C ATOM 25 CG GLN A 2 38.347 55.462 23.178 1.00 0.00 C ATOM 26 CD GLN A 2 38.523 56.979 23.275 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.439 57.577 24.345 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.737 57.665 22.156 1.00 0.00 N ATOM 0 H GLN A 2 34.667 53.846 22.791 1.00 0.00 H new ATOM 0 HA GLN A 2 37.383 53.352 21.781 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.506 55.673 22.088 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.291 55.342 23.796 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.688 54.995 24.102 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.972 55.072 22.374 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.808 57.176 21.264 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.830 58.680 22.190 1.00 0.00 H new ATOM 37 N ILE A 3 38.407 52.211 23.680 1.00 0.00 N ATOM 38 CA ILE A 3 39.116 51.534 24.748 1.00 0.00 C ATOM 39 C ILE A 3 40.434 52.248 25.053 1.00 0.00 C ATOM 40 O ILE A 3 40.976 52.953 24.204 1.00 0.00 O ATOM 41 CB ILE A 3 39.302 50.049 24.451 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.108 49.800 23.179 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.950 49.343 24.429 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.489 48.344 22.930 1.00 0.00 C ATOM 0 H ILE A 3 38.960 52.284 22.826 1.00 0.00 H new ATOM 0 HA ILE A 3 38.506 51.583 25.650 1.00 0.00 H new ATOM 0 HB ILE A 3 39.895 49.620 25.258 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.532 50.160 22.326 1.00 0.00 H new ATOM 0 HG13 ILE A 3 41.020 50.396 23.222 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.096 48.284 24.216 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.465 49.455 25.399 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.321 49.785 23.656 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.059 48.270 22.004 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.096 47.980 23.759 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.585 47.740 22.849 1.00 0.00 H new ATOM 56 N PHE A 4 40.957 52.059 26.261 1.00 0.00 N ATOM 57 CA PHE A 4 42.163 52.702 26.742 1.00 0.00 C ATOM 58 C PHE A 4 43.270 51.671 26.971 1.00 0.00 C ATOM 59 O PHE A 4 43.119 50.799 27.823 1.00 0.00 O ATOM 60 CB PHE A 4 41.858 53.473 28.022 1.00 0.00 C ATOM 61 CG PHE A 4 41.019 54.715 27.841 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.619 55.979 27.894 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.639 54.615 27.626 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.849 57.135 27.719 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.869 55.767 27.431 1.00 0.00 C ATOM 66 CZ PHE A 4 39.475 57.029 27.473 1.00 0.00 C ATOM 0 H PHE A 4 40.536 51.434 26.949 1.00 0.00 H new ATOM 0 HA PHE A 4 42.517 53.405 25.988 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.346 52.806 28.715 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.801 53.756 28.490 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.681 56.063 28.071 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.167 53.644 27.611 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.315 58.108 27.774 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.808 55.683 27.248 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.883 57.919 27.316 1.00 0.00 H new ATOM 76 N VAL A 5 44.376 51.761 26.236 1.00 0.00 N ATOM 77 CA VAL A 5 45.490 50.836 26.297 1.00 0.00 C ATOM 78 C VAL A 5 46.688 51.484 26.996 1.00 0.00 C ATOM 79 O VAL A 5 47.122 52.567 26.612 1.00 0.00 O ATOM 80 CB VAL A 5 45.875 50.329 24.909 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.926 49.227 24.999 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.682 49.760 24.148 1.00 0.00 C ATOM 0 H VAL A 5 44.520 52.510 25.559 1.00 0.00 H new ATOM 0 HA VAL A 5 45.175 49.972 26.882 1.00 0.00 H new ATOM 0 HB VAL A 5 46.267 51.196 24.377 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.181 48.885 23.996 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.819 49.615 25.488 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.529 48.392 25.577 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.008 49.413 23.167 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.259 48.925 24.706 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.925 50.535 24.026 1.00 0.00 H new ATOM 92 N LYS A 6 47.239 50.819 28.006 1.00 0.00 N ATOM 93 CA LYS A 6 48.425 51.209 28.743 1.00 0.00 C ATOM 94 C LYS A 6 49.673 50.492 28.225 1.00 0.00 C ATOM 95 O LYS A 6 49.590 49.323 27.853 1.00 0.00 O ATOM 96 CB LYS A 6 48.210 50.913 30.226 1.00 0.00 C ATOM 97 CG LYS A 6 47.169 51.840 30.848 1.00 0.00 C ATOM 98 CD LYS A 6 46.869 51.420 32.284 1.00 0.00 C ATOM 99 CE LYS A 6 45.919 52.421 32.935 1.00 0.00 C ATOM 100 NZ LYS A 6 45.535 52.002 34.292 1.00 0.00 N ATOM 0 H LYS A 6 46.843 49.943 28.348 1.00 0.00 H new ATOM 0 HA LYS A 6 48.589 52.277 28.601 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.892 49.877 30.347 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.155 51.020 30.758 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.533 52.867 30.832 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.253 51.817 30.257 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.424 50.425 32.295 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.795 51.361 32.855 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.395 53.400 32.977 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.025 52.528 32.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 44.889 52.706 34.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 45.058 51.079 34.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.386 51.925 34.885 1.00 0.00 H new ATOM 114 N THR A 7 50.823 51.160 28.247 1.00 0.00 N ATOM 115 CA THR A 7 52.121 50.596 27.933 1.00 0.00 C ATOM 116 C THR A 7 53.141 50.827 29.049 1.00 0.00 C ATOM 117 O THR A 7 53.161 51.877 29.688 1.00 0.00 O ATOM 118 CB THR A 7 52.672 51.125 26.612 1.00 0.00 C ATOM 119 OG1 THR A 7 52.602 52.533 26.558 1.00 0.00 O ATOM 120 CG2 THR A 7 51.887 50.587 25.420 1.00 0.00 C ATOM 0 H THR A 7 50.872 52.148 28.495 1.00 0.00 H new ATOM 0 HA THR A 7 51.960 49.522 27.835 1.00 0.00 H new ATOM 0 HB THR A 7 53.708 50.791 26.561 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.507 52.904 26.502 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.308 50.985 24.497 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.947 49.499 25.406 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.844 50.892 25.504 1.00 0.00 H new ATOM 128 N LEU A 8 54.024 49.858 29.272 1.00 0.00 N ATOM 129 CA LEU A 8 55.089 49.899 30.254 1.00 0.00 C ATOM 130 C LEU A 8 56.168 50.934 29.931 1.00 0.00 C ATOM 131 O LEU A 8 56.948 51.294 30.810 1.00 0.00 O ATOM 132 CB LEU A 8 55.718 48.515 30.385 1.00 0.00 C ATOM 133 CG LEU A 8 54.855 47.435 31.031 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.602 46.105 31.020 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.509 47.753 32.483 1.00 0.00 C ATOM 0 H LEU A 8 54.011 48.985 28.745 1.00 0.00 H new ATOM 0 HA LEU A 8 54.639 50.203 31.199 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.003 48.174 29.390 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.636 48.611 30.965 1.00 0.00 H new ATOM 0 HG LEU A 8 53.933 47.386 30.451 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.983 45.336 31.482 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.825 45.822 29.991 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.533 46.206 31.579 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.894 46.952 32.894 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.427 47.841 33.065 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.959 48.693 32.528 1.00 0.00 H new ATOM 147 N THR A 9 56.183 51.471 28.715 1.00 0.00 N ATOM 148 CA THR A 9 56.987 52.610 28.317 1.00 0.00 C ATOM 149 C THR A 9 56.504 53.932 28.916 1.00 0.00 C ATOM 150 O THR A 9 57.152 54.954 28.706 1.00 0.00 O ATOM 151 CB THR A 9 57.081 52.734 26.798 1.00 0.00 C ATOM 152 OG1 THR A 9 55.825 53.093 26.268 1.00 0.00 O ATOM 153 CG2 THR A 9 57.494 51.453 26.079 1.00 0.00 C ATOM 0 H THR A 9 55.611 51.106 27.953 1.00 0.00 H new ATOM 0 HA THR A 9 57.980 52.414 28.721 1.00 0.00 H new ATOM 0 HB THR A 9 57.852 53.487 26.631 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.892 53.173 25.294 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.534 51.635 25.005 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.477 51.139 26.431 1.00 0.00 H new ATOM 0 HG23 THR A 9 56.766 50.668 26.287 1.00 0.00 H new ATOM 161 N GLY A 10 55.408 53.944 29.671 1.00 0.00 N ATOM 162 CA GLY A 10 54.898 55.109 30.365 1.00 0.00 C ATOM 163 C GLY A 10 53.992 55.986 29.498 1.00 0.00 C ATOM 164 O GLY A 10 54.173 57.201 29.462 1.00 0.00 O ATOM 0 H GLY A 10 54.836 53.112 29.817 1.00 0.00 H new ATOM 0 HA2 GLY A 10 54.342 54.784 31.245 1.00 0.00 H new ATOM 0 HA3 GLY A 10 55.737 55.707 30.721 1.00 0.00 H new ATOM 168 N LYS A 11 53.059 55.368 28.781 1.00 0.00 N ATOM 169 CA LYS A 11 52.067 56.012 27.943 1.00 0.00 C ATOM 170 C LYS A 11 50.682 55.400 28.161 1.00 0.00 C ATOM 171 O LYS A 11 50.558 54.287 28.667 1.00 0.00 O ATOM 172 CB LYS A 11 52.515 55.939 26.486 1.00 0.00 C ATOM 173 CG LYS A 11 52.026 57.094 25.618 1.00 0.00 C ATOM 174 CD LYS A 11 52.297 56.914 24.127 1.00 0.00 C ATOM 175 CE LYS A 11 53.776 56.769 23.784 1.00 0.00 C ATOM 176 NZ LYS A 11 53.966 56.612 22.334 1.00 0.00 N ATOM 0 H LYS A 11 52.974 54.352 28.772 1.00 0.00 H new ATOM 0 HA LYS A 11 51.981 57.063 28.219 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.604 55.913 26.454 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.161 55.002 26.056 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.954 57.218 25.769 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.504 58.014 25.954 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.763 56.031 23.774 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.890 57.769 23.587 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.322 57.645 24.133 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.191 55.906 24.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.972 56.736 22.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.657 55.662 22.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.403 57.327 21.831 1.00 0.00 H new ATOM 190 N THR A 12 49.641 56.116 27.746 1.00 0.00 N ATOM 191 CA THR A 12 48.285 55.631 27.591 1.00 0.00 C ATOM 192 C THR A 12 47.755 56.069 26.224 1.00 0.00 C ATOM 193 O THR A 12 47.972 57.203 25.805 1.00 0.00 O ATOM 194 CB THR A 12 47.359 56.130 28.697 1.00 0.00 C ATOM 195 OG1 THR A 12 47.937 55.948 29.971 1.00 0.00 O ATOM 196 CG2 THR A 12 46.031 55.380 28.719 1.00 0.00 C ATOM 0 H THR A 12 49.732 57.101 27.497 1.00 0.00 H new ATOM 0 HA THR A 12 48.304 54.543 27.662 1.00 0.00 H new ATOM 0 HB THR A 12 47.197 57.186 28.482 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.322 56.278 30.659 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.406 55.770 29.522 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.521 55.514 27.765 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.215 54.319 28.885 1.00 0.00 H new ATOM 204 N ILE A 13 47.060 55.179 25.522 1.00 0.00 N ATOM 205 CA ILE A 13 46.645 55.326 24.142 1.00 0.00 C ATOM 206 C ILE A 13 45.158 54.992 24.004 1.00 0.00 C ATOM 207 O ILE A 13 44.731 53.924 24.436 1.00 0.00 O ATOM 208 CB ILE A 13 47.490 54.436 23.235 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.988 54.680 23.384 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.111 54.648 21.771 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.686 53.684 24.306 1.00 0.00 C ATOM 0 H ILE A 13 46.759 54.292 25.927 1.00 0.00 H new ATOM 0 HA ILE A 13 46.796 56.361 23.835 1.00 0.00 H new ATOM 0 HB ILE A 13 47.281 53.412 23.545 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.453 54.637 22.399 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.146 55.688 23.767 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.724 54.005 21.140 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.059 54.401 21.628 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.279 55.690 21.499 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.748 53.922 24.362 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.248 53.742 25.303 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.561 52.675 23.913 1.00 0.00 H new ATOM 223 N THR A 14 44.366 55.859 23.379 1.00 0.00 N ATOM 224 CA THR A 14 43.005 55.541 22.996 1.00 0.00 C ATOM 225 C THR A 14 42.966 54.764 21.678 1.00 0.00 C ATOM 226 O THR A 14 43.729 55.063 20.762 1.00 0.00 O ATOM 227 CB THR A 14 42.107 56.770 22.900 1.00 0.00 C ATOM 228 OG1 THR A 14 42.575 57.719 21.969 1.00 0.00 O ATOM 229 CG2 THR A 14 41.946 57.462 24.252 1.00 0.00 C ATOM 0 H THR A 14 44.657 56.803 23.126 1.00 0.00 H new ATOM 0 HA THR A 14 42.611 54.914 23.796 1.00 0.00 H new ATOM 0 HB THR A 14 41.143 56.391 22.560 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.963 58.484 21.946 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.299 58.332 24.141 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.501 56.768 24.965 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.923 57.780 24.617 1.00 0.00 H new ATOM 237 N LEU A 15 42.079 53.779 21.574 1.00 0.00 N ATOM 238 CA LEU A 15 41.882 52.994 20.372 1.00 0.00 C ATOM 239 C LEU A 15 40.397 52.841 20.037 1.00 0.00 C ATOM 240 O LEU A 15 39.581 52.623 20.930 1.00 0.00 O ATOM 241 CB LEU A 15 42.565 51.642 20.555 1.00 0.00 C ATOM 242 CG LEU A 15 43.009 50.990 19.249 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.297 51.615 18.719 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.270 49.508 19.503 1.00 0.00 C ATOM 0 H LEU A 15 41.467 53.503 22.342 1.00 0.00 H new ATOM 0 HA LEU A 15 42.331 53.510 19.524 1.00 0.00 H new ATOM 0 HB2 LEU A 15 43.435 51.770 21.199 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.882 50.968 21.072 1.00 0.00 H new ATOM 0 HG LEU A 15 42.219 51.137 18.512 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.583 51.125 17.788 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.137 52.678 18.536 1.00 0.00 H new ATOM 0 HD13 LEU A 15 45.092 51.489 19.454 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.588 49.031 18.576 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.052 49.400 20.254 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.356 49.034 19.860 1.00 0.00 H new ATOM 256 N GLU A 16 40.058 52.916 18.754 1.00 0.00 N ATOM 257 CA GLU A 16 38.700 52.810 18.258 1.00 0.00 C ATOM 258 C GLU A 16 38.405 51.394 17.756 1.00 0.00 C ATOM 259 O GLU A 16 39.059 50.896 16.843 1.00 0.00 O ATOM 260 CB GLU A 16 38.446 53.846 17.165 1.00 0.00 C ATOM 261 CG GLU A 16 38.793 55.282 17.543 1.00 0.00 C ATOM 262 CD GLU A 16 38.002 55.808 18.742 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.755 55.803 18.665 1.00 0.00 O ATOM 264 OE2 GLU A 16 38.633 56.278 19.714 1.00 0.00 O ATOM 0 H GLU A 16 40.745 53.056 18.013 1.00 0.00 H new ATOM 0 HA GLU A 16 38.019 53.014 19.084 1.00 0.00 H new ATOM 0 HB2 GLU A 16 39.023 53.569 16.282 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.394 53.805 16.884 1.00 0.00 H new ATOM 0 HG2 GLU A 16 39.858 55.343 17.766 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.610 55.929 16.685 1.00 0.00 H new ATOM 271 N VAL A 17 37.428 50.729 18.365 1.00 0.00 N ATOM 272 CA VAL A 17 37.103 49.332 18.163 1.00 0.00 C ATOM 273 C VAL A 17 35.592 49.101 18.083 1.00 0.00 C ATOM 274 O VAL A 17 34.789 49.965 18.429 1.00 0.00 O ATOM 275 CB VAL A 17 37.716 48.457 19.253 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.242 48.490 19.241 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.228 48.833 20.649 1.00 0.00 C ATOM 0 H VAL A 17 36.815 51.177 19.045 1.00 0.00 H new ATOM 0 HA VAL A 17 37.535 49.045 17.204 1.00 0.00 H new ATOM 0 HB VAL A 17 37.382 47.446 19.021 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.626 47.851 20.036 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.606 48.130 18.279 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.585 49.512 19.400 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.695 48.180 21.386 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.495 49.868 20.861 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.145 48.720 20.699 1.00 0.00 H new ATOM 287 N GLU A 18 35.182 47.915 17.640 1.00 0.00 N ATOM 288 CA GLU A 18 33.842 47.380 17.770 1.00 0.00 C ATOM 289 C GLU A 18 33.841 46.196 18.738 1.00 0.00 C ATOM 290 O GLU A 18 34.857 45.513 18.851 1.00 0.00 O ATOM 291 CB GLU A 18 33.333 46.957 16.395 1.00 0.00 C ATOM 292 CG GLU A 18 32.936 48.115 15.483 1.00 0.00 C ATOM 293 CD GLU A 18 31.582 48.719 15.860 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.548 48.309 15.290 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.517 49.605 16.739 1.00 0.00 O ATOM 0 H GLU A 18 35.812 47.274 17.157 1.00 0.00 H new ATOM 0 HA GLU A 18 33.179 48.146 18.172 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.107 46.370 15.900 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.471 46.303 16.526 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.702 48.889 15.530 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.900 47.765 14.451 1.00 0.00 H new ATOM 302 N PRO A 19 32.740 45.875 19.411 1.00 0.00 N ATOM 303 CA PRO A 19 32.654 44.722 20.285 1.00 0.00 C ATOM 304 C PRO A 19 32.940 43.395 19.581 1.00 0.00 C ATOM 305 O PRO A 19 33.332 42.419 20.217 1.00 0.00 O ATOM 306 CB PRO A 19 31.238 44.747 20.856 1.00 0.00 C ATOM 307 CG PRO A 19 30.437 45.502 19.799 1.00 0.00 C ATOM 308 CD PRO A 19 31.455 46.540 19.334 1.00 0.00 C ATOM 0 HA PRO A 19 33.419 44.785 21.059 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.850 43.740 21.009 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.204 45.252 21.821 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.113 44.851 18.987 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.541 45.963 20.214 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.243 46.871 18.317 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.432 47.426 19.969 1.00 0.00 H new ATOM 316 N SER A 20 32.771 43.356 18.262 1.00 0.00 N ATOM 317 CA SER A 20 33.056 42.237 17.386 1.00 0.00 C ATOM 318 C SER A 20 34.488 42.188 16.849 1.00 0.00 C ATOM 319 O SER A 20 34.781 41.299 16.052 1.00 0.00 O ATOM 320 CB SER A 20 32.021 42.235 16.266 1.00 0.00 C ATOM 321 OG SER A 20 31.960 43.500 15.644 1.00 0.00 O ATOM 0 H SER A 20 32.408 44.160 17.750 1.00 0.00 H new ATOM 0 HA SER A 20 32.981 41.326 17.979 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.276 41.473 15.529 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.042 41.974 16.668 1.00 0.00 H new ATOM 0 HG SER A 20 31.292 43.480 14.927 1.00 0.00 H new ATOM 327 N ASP A 21 35.401 43.078 17.227 1.00 0.00 N ATOM 328 CA ASP A 21 36.790 42.983 16.829 1.00 0.00 C ATOM 329 C ASP A 21 37.521 41.846 17.547 1.00 0.00 C ATOM 330 O ASP A 21 37.331 41.647 18.745 1.00 0.00 O ATOM 331 CB ASP A 21 37.531 44.296 17.069 1.00 0.00 C ATOM 332 CG ASP A 21 37.346 45.316 15.944 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.418 44.919 14.761 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.232 46.528 16.225 1.00 0.00 O ATOM 0 H ASP A 21 35.192 43.883 17.818 1.00 0.00 H new ATOM 0 HA ASP A 21 36.786 42.766 15.761 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.185 44.733 18.006 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.594 44.087 17.188 1.00 0.00 H new ATOM 339 N THR A 22 38.383 41.131 16.831 1.00 0.00 N ATOM 340 CA THR A 22 39.289 40.129 17.357 1.00 0.00 C ATOM 341 C THR A 22 40.662 40.702 17.716 1.00 0.00 C ATOM 342 O THR A 22 41.059 41.757 17.229 1.00 0.00 O ATOM 343 CB THR A 22 39.442 38.934 16.421 1.00 0.00 C ATOM 344 OG1 THR A 22 39.789 39.332 15.114 1.00 0.00 O ATOM 345 CG2 THR A 22 38.157 38.118 16.301 1.00 0.00 C ATOM 0 H THR A 22 38.469 41.244 15.821 1.00 0.00 H new ATOM 0 HA THR A 22 38.826 39.778 18.279 1.00 0.00 H new ATOM 0 HB THR A 22 40.233 38.330 16.867 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.880 38.540 14.544 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.320 37.280 15.624 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.873 37.741 17.283 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.360 38.750 15.910 1.00 0.00 H new ATOM 353 N ILE A 23 41.405 39.988 18.558 1.00 0.00 N ATOM 354 CA ILE A 23 42.664 40.420 19.132 1.00 0.00 C ATOM 355 C ILE A 23 43.699 40.801 18.071 1.00 0.00 C ATOM 356 O ILE A 23 44.381 41.814 18.203 1.00 0.00 O ATOM 357 CB ILE A 23 43.191 39.347 20.080 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.190 38.916 21.149 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.490 39.776 20.755 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.521 40.040 21.935 1.00 0.00 C ATOM 0 H ILE A 23 41.130 39.056 18.868 1.00 0.00 H new ATOM 0 HA ILE A 23 42.478 41.332 19.699 1.00 0.00 H new ATOM 0 HB ILE A 23 43.375 38.484 19.440 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.412 38.322 20.670 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.702 38.262 21.855 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.832 38.985 21.422 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.249 39.965 19.996 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.318 40.686 21.330 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.832 39.614 22.664 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.281 40.625 22.453 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.971 40.685 21.250 1.00 0.00 H new ATOM 372 N GLU A 24 43.785 40.056 16.972 1.00 0.00 N ATOM 373 CA GLU A 24 44.700 40.351 15.887 1.00 0.00 C ATOM 374 C GLU A 24 44.392 41.689 15.211 1.00 0.00 C ATOM 375 O GLU A 24 45.312 42.400 14.812 1.00 0.00 O ATOM 376 CB GLU A 24 44.705 39.236 14.845 1.00 0.00 C ATOM 377 CG GLU A 24 44.810 37.821 15.407 1.00 0.00 C ATOM 378 CD GLU A 24 43.421 37.201 15.576 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.749 37.467 16.595 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.975 36.488 14.652 1.00 0.00 O ATOM 0 H GLU A 24 43.215 39.225 16.814 1.00 0.00 H new ATOM 0 HA GLU A 24 45.691 40.422 16.336 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.792 39.308 14.255 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.539 39.402 14.163 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.411 37.203 14.740 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.323 37.843 16.368 1.00 0.00 H new ATOM 387 N ASN A 25 43.123 42.082 15.143 1.00 0.00 N ATOM 388 CA ASN A 25 42.738 43.377 14.617 1.00 0.00 C ATOM 389 C ASN A 25 43.064 44.514 15.586 1.00 0.00 C ATOM 390 O ASN A 25 43.431 45.603 15.147 1.00 0.00 O ATOM 391 CB ASN A 25 41.261 43.376 14.235 1.00 0.00 C ATOM 392 CG ASN A 25 40.951 44.525 13.273 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.708 44.818 12.351 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.817 45.211 13.402 1.00 0.00 N ATOM 0 H ASN A 25 42.338 41.509 15.452 1.00 0.00 H new ATOM 0 HA ASN A 25 43.328 43.558 13.718 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.001 42.425 13.770 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.648 43.470 15.131 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.595 45.958 12.744 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.170 44.989 14.159 1.00 0.00 H new ATOM 401 N VAL A 26 43.004 44.270 16.891 1.00 0.00 N ATOM 402 CA VAL A 26 43.459 45.216 17.890 1.00 0.00 C ATOM 403 C VAL A 26 44.965 45.447 17.744 1.00 0.00 C ATOM 404 O VAL A 26 45.392 46.597 17.680 1.00 0.00 O ATOM 405 CB VAL A 26 43.081 44.788 19.304 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.490 45.834 20.337 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.575 44.595 19.455 1.00 0.00 C ATOM 0 H VAL A 26 42.635 43.403 17.282 1.00 0.00 H new ATOM 0 HA VAL A 26 42.948 46.163 17.718 1.00 0.00 H new ATOM 0 HB VAL A 26 43.608 43.849 19.473 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.204 45.494 21.332 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.570 45.980 20.299 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.989 46.777 20.118 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.348 44.290 20.477 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.064 45.532 19.234 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.236 43.824 18.763 1.00 0.00 H new ATOM 417 N LYS A 27 45.765 44.397 17.574 1.00 0.00 N ATOM 418 CA LYS A 27 47.182 44.519 17.299 1.00 0.00 C ATOM 419 C LYS A 27 47.478 45.289 16.010 1.00 0.00 C ATOM 420 O LYS A 27 48.376 46.127 15.986 1.00 0.00 O ATOM 421 CB LYS A 27 47.855 43.151 17.250 1.00 0.00 C ATOM 422 CG LYS A 27 47.878 42.423 18.591 1.00 0.00 C ATOM 423 CD LYS A 27 48.592 41.081 18.456 1.00 0.00 C ATOM 424 CE LYS A 27 48.693 40.403 19.819 1.00 0.00 C ATOM 425 NZ LYS A 27 49.304 39.069 19.722 1.00 0.00 N ATOM 0 H LYS A 27 45.439 43.432 17.625 1.00 0.00 H new ATOM 0 HA LYS A 27 47.597 45.096 18.126 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.338 42.529 16.519 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.879 43.273 16.897 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.383 43.037 19.337 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.859 42.266 18.944 1.00 0.00 H new ATOM 0 HD2 LYS A 27 48.050 40.440 17.761 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.589 41.230 18.040 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.284 41.025 20.491 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.698 40.316 20.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.709 38.377 20.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.386 38.797 18.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.250 39.088 20.154 1.00 0.00 H new ATOM 439 N ALA A 28 46.705 45.044 14.956 1.00 0.00 N ATOM 440 CA ALA A 28 46.838 45.723 13.683 1.00 0.00 C ATOM 441 C ALA A 28 46.500 47.213 13.765 1.00 0.00 C ATOM 442 O ALA A 28 47.234 48.031 13.213 1.00 0.00 O ATOM 443 CB ALA A 28 45.973 44.999 12.655 1.00 0.00 C ATOM 0 H ALA A 28 45.955 44.353 14.969 1.00 0.00 H new ATOM 0 HA ALA A 28 47.883 45.686 13.376 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.061 45.497 11.690 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.307 43.966 12.562 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.932 45.016 12.978 1.00 0.00 H new ATOM 449 N LYS A 29 45.458 47.583 14.504 1.00 0.00 N ATOM 450 CA LYS A 29 45.101 48.952 14.810 1.00 0.00 C ATOM 451 C LYS A 29 46.176 49.654 15.644 1.00 0.00 C ATOM 452 O LYS A 29 46.427 50.839 15.439 1.00 0.00 O ATOM 453 CB LYS A 29 43.768 48.986 15.552 1.00 0.00 C ATOM 454 CG LYS A 29 42.537 48.756 14.681 1.00 0.00 C ATOM 455 CD LYS A 29 41.318 48.511 15.566 1.00 0.00 C ATOM 456 CE LYS A 29 40.018 48.347 14.785 1.00 0.00 C ATOM 457 NZ LYS A 29 39.463 49.635 14.339 1.00 0.00 N ATOM 0 H LYS A 29 44.818 46.906 14.919 1.00 0.00 H new ATOM 0 HA LYS A 29 45.014 49.488 13.865 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.786 48.228 16.335 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.669 49.953 16.046 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.366 49.622 14.041 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.699 47.901 14.024 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.488 47.616 16.164 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.211 49.343 16.262 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.197 47.712 13.917 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.285 47.836 15.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.590 49.468 13.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.250 50.227 15.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.156 50.121 13.735 1.00 0.00 H new ATOM 471 N ILE A 30 46.823 48.945 16.565 1.00 0.00 N ATOM 472 CA ILE A 30 47.916 49.456 17.367 1.00 0.00 C ATOM 473 C ILE A 30 49.166 49.694 16.518 1.00 0.00 C ATOM 474 O ILE A 30 49.795 50.734 16.696 1.00 0.00 O ATOM 475 CB ILE A 30 48.151 48.571 18.587 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.002 48.765 19.571 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.484 48.856 19.275 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.931 47.716 20.677 1.00 0.00 C ATOM 0 H ILE A 30 46.591 47.974 16.775 1.00 0.00 H new ATOM 0 HA ILE A 30 47.643 50.437 17.757 1.00 0.00 H new ATOM 0 HB ILE A 30 48.191 47.537 18.245 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.094 49.750 20.028 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.062 48.756 19.019 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.597 48.197 20.136 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.300 48.681 18.574 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.508 49.894 19.607 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.085 47.932 21.330 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.805 46.728 20.234 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.853 47.738 21.259 1.00 0.00 H new ATOM 490 N GLN A 31 49.503 48.838 15.558 1.00 0.00 N ATOM 491 CA GLN A 31 50.573 49.129 14.624 1.00 0.00 C ATOM 492 C GLN A 31 50.285 50.385 13.800 1.00 0.00 C ATOM 493 O GLN A 31 51.151 51.244 13.645 1.00 0.00 O ATOM 494 CB GLN A 31 50.849 47.936 13.714 1.00 0.00 C ATOM 495 CG GLN A 31 52.135 48.157 12.923 1.00 0.00 C ATOM 496 CD GLN A 31 52.540 46.993 12.016 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.732 46.185 11.563 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.831 46.862 11.727 1.00 0.00 N ATOM 0 H GLN A 31 49.047 47.938 15.411 1.00 0.00 H new ATOM 0 HA GLN A 31 51.469 49.323 15.214 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.933 47.027 14.310 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.013 47.792 13.029 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.019 49.052 12.312 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.947 48.352 13.624 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.507 47.529 12.099 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.145 46.095 11.133 1.00 0.00 H new ATOM 507 N ASP A 32 49.060 50.522 13.303 1.00 0.00 N ATOM 508 CA ASP A 32 48.624 51.658 12.515 1.00 0.00 C ATOM 509 C ASP A 32 48.701 52.995 13.255 1.00 0.00 C ATOM 510 O ASP A 32 48.903 54.026 12.619 1.00 0.00 O ATOM 511 CB ASP A 32 47.202 51.377 12.041 1.00 0.00 C ATOM 512 CG ASP A 32 46.719 52.400 11.011 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.059 52.242 9.817 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.954 53.322 11.370 1.00 0.00 O ATOM 0 H ASP A 32 48.328 49.826 13.444 1.00 0.00 H new ATOM 0 HA ASP A 32 49.307 51.769 11.673 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.157 50.378 11.606 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.528 51.382 12.898 1.00 0.00 H new ATOM 519 N LYS A 33 48.582 52.990 14.580 1.00 0.00 N ATOM 520 CA LYS A 33 48.680 54.159 15.431 1.00 0.00 C ATOM 521 C LYS A 33 50.064 54.340 16.058 1.00 0.00 C ATOM 522 O LYS A 33 50.759 55.302 15.739 1.00 0.00 O ATOM 523 CB LYS A 33 47.533 54.147 16.437 1.00 0.00 C ATOM 524 CG LYS A 33 47.387 55.472 17.180 1.00 0.00 C ATOM 525 CD LYS A 33 46.049 55.570 17.909 1.00 0.00 C ATOM 526 CE LYS A 33 45.909 56.934 18.579 1.00 0.00 C ATOM 527 NZ LYS A 33 44.547 57.151 19.090 1.00 0.00 N ATOM 0 H LYS A 33 48.408 52.133 15.106 1.00 0.00 H new ATOM 0 HA LYS A 33 48.571 55.051 14.814 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.602 53.922 15.917 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.697 53.347 17.159 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.200 55.577 17.898 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.477 56.297 16.473 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.231 55.418 17.204 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.976 54.781 18.657 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.622 57.011 19.400 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.159 57.718 17.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.523 58.024 19.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.886 57.237 18.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.267 56.346 19.686 1.00 0.00 H new ATOM 541 N GLU A 34 50.491 53.417 16.914 1.00 0.00 N ATOM 542 CA GLU A 34 51.695 53.496 17.717 1.00 0.00 C ATOM 543 C GLU A 34 52.960 52.972 17.034 1.00 0.00 C ATOM 544 O GLU A 34 54.042 53.145 17.588 1.00 0.00 O ATOM 545 CB GLU A 34 51.465 52.750 19.029 1.00 0.00 C ATOM 546 CG GLU A 34 50.814 53.597 20.118 1.00 0.00 C ATOM 547 CD GLU A 34 51.798 54.620 20.689 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.692 54.253 21.481 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.732 55.809 20.306 1.00 0.00 O ATOM 0 H GLU A 34 49.976 52.551 17.070 1.00 0.00 H new ATOM 0 HA GLU A 34 51.880 54.557 17.886 1.00 0.00 H new ATOM 0 HB2 GLU A 34 50.837 51.880 18.835 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.421 52.377 19.396 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.945 54.113 19.710 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.453 52.950 20.918 1.00 0.00 H new ATOM 556 N GLY A 35 52.868 52.331 15.873 1.00 0.00 N ATOM 557 CA GLY A 35 54.020 51.848 15.140 1.00 0.00 C ATOM 558 C GLY A 35 54.649 50.564 15.684 1.00 0.00 C ATOM 559 O GLY A 35 55.730 50.183 15.240 1.00 0.00 O ATOM 0 H GLY A 35 51.979 52.133 15.414 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.726 51.679 14.104 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.779 52.630 15.132 1.00 0.00 H new ATOM 563 N ILE A 36 54.002 49.872 16.618 1.00 0.00 N ATOM 564 CA ILE A 36 54.509 48.676 17.259 1.00 0.00 C ATOM 565 C ILE A 36 54.165 47.453 16.407 1.00 0.00 C ATOM 566 O ILE A 36 52.982 47.218 16.172 1.00 0.00 O ATOM 567 CB ILE A 36 53.958 48.545 18.676 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.287 49.753 19.548 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.502 47.283 19.337 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.453 49.843 20.823 1.00 0.00 C ATOM 0 H ILE A 36 53.079 50.143 16.957 1.00 0.00 H new ATOM 0 HA ILE A 36 55.594 48.745 17.341 1.00 0.00 H new ATOM 0 HB ILE A 36 52.873 48.487 18.587 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.342 49.717 19.818 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.138 50.661 18.964 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.102 47.200 20.348 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.204 46.410 18.756 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.590 47.335 19.381 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.746 50.728 21.388 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.397 49.912 20.563 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.619 48.953 21.430 1.00 0.00 H new ATOM 582 N PRO A 37 55.116 46.638 15.957 1.00 0.00 N ATOM 583 CA PRO A 37 54.834 45.520 15.080 1.00 0.00 C ATOM 584 C PRO A 37 54.043 44.415 15.783 1.00 0.00 C ATOM 585 O PRO A 37 54.376 44.057 16.911 1.00 0.00 O ATOM 586 CB PRO A 37 56.186 45.043 14.557 1.00 0.00 C ATOM 587 CG PRO A 37 57.148 45.435 15.676 1.00 0.00 C ATOM 588 CD PRO A 37 56.543 46.739 16.189 1.00 0.00 C ATOM 0 HA PRO A 37 54.189 45.821 14.254 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.192 43.968 14.378 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.446 45.525 13.614 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.195 44.675 16.456 1.00 0.00 H new ATOM 0 HG3 PRO A 37 58.164 45.576 15.307 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.757 46.878 17.249 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.964 47.597 15.664 1.00 0.00 H new ATOM 596 N PRO A 38 53.006 43.853 15.170 1.00 0.00 N ATOM 597 CA PRO A 38 52.039 43.000 15.834 1.00 0.00 C ATOM 598 C PRO A 38 52.612 41.673 16.335 1.00 0.00 C ATOM 599 O PRO A 38 52.115 41.137 17.323 1.00 0.00 O ATOM 600 CB PRO A 38 50.915 42.779 14.827 1.00 0.00 C ATOM 601 CG PRO A 38 51.599 42.958 13.475 1.00 0.00 C ATOM 602 CD PRO A 38 52.575 44.084 13.805 1.00 0.00 C ATOM 0 HA PRO A 38 51.689 43.488 16.744 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.478 41.785 14.926 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.107 43.497 14.965 1.00 0.00 H new ATOM 0 HG2 PRO A 38 52.107 42.052 13.144 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.897 43.235 12.688 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.424 44.077 13.121 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.095 45.058 13.707 1.00 0.00 H new ATOM 610 N ASP A 39 53.696 41.173 15.748 1.00 0.00 N ATOM 611 CA ASP A 39 54.332 39.953 16.204 1.00 0.00 C ATOM 612 C ASP A 39 54.953 40.098 17.595 1.00 0.00 C ATOM 613 O ASP A 39 55.004 39.124 18.343 1.00 0.00 O ATOM 614 CB ASP A 39 55.316 39.437 15.159 1.00 0.00 C ATOM 615 CG ASP A 39 56.559 40.314 14.999 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.464 41.370 14.338 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.624 39.932 15.532 1.00 0.00 O ATOM 0 H ASP A 39 54.153 41.605 14.945 1.00 0.00 H new ATOM 0 HA ASP A 39 53.557 39.195 16.319 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.626 38.428 15.432 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.807 39.365 14.198 1.00 0.00 H new ATOM 622 N GLN A 40 55.337 41.309 17.988 1.00 0.00 N ATOM 623 CA GLN A 40 55.943 41.603 19.271 1.00 0.00 C ATOM 624 C GLN A 40 54.942 41.974 20.368 1.00 0.00 C ATOM 625 O GLN A 40 55.339 42.086 21.527 1.00 0.00 O ATOM 626 CB GLN A 40 56.964 42.724 19.095 1.00 0.00 C ATOM 627 CG GLN A 40 58.112 42.376 18.151 1.00 0.00 C ATOM 628 CD GLN A 40 59.148 43.495 18.029 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.173 44.468 18.781 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.058 43.400 17.064 1.00 0.00 N ATOM 0 H GLN A 40 55.229 42.135 17.399 1.00 0.00 H new ATOM 0 HA GLN A 40 56.422 40.684 19.608 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.454 43.610 18.718 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.375 42.983 20.071 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.604 41.470 18.505 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.708 42.154 17.163 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.050 42.599 16.433 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.764 44.128 16.955 1.00 0.00 H new ATOM 639 N GLN A 41 53.670 42.175 20.038 1.00 0.00 N ATOM 640 CA GLN A 41 52.644 42.613 20.961 1.00 0.00 C ATOM 641 C GLN A 41 52.008 41.447 21.721 1.00 0.00 C ATOM 642 O GLN A 41 51.597 40.475 21.091 1.00 0.00 O ATOM 643 CB GLN A 41 51.545 43.365 20.214 1.00 0.00 C ATOM 644 CG GLN A 41 51.952 44.676 19.547 1.00 0.00 C ATOM 645 CD GLN A 41 50.750 45.356 18.890 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.639 45.350 19.418 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.873 45.945 17.705 1.00 0.00 N ATOM 0 H GLN A 41 53.320 42.031 19.091 1.00 0.00 H new ATOM 0 HA GLN A 41 53.133 43.268 21.682 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.139 42.704 19.448 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.737 43.575 20.915 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.391 45.344 20.288 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.719 44.483 18.797 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.780 45.968 17.239 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.061 46.374 17.262 1.00 0.00 H new ATOM 656 N ARG A 42 51.817 41.573 23.032 1.00 0.00 N ATOM 657 CA ARG A 42 50.924 40.750 23.821 1.00 0.00 C ATOM 658 C ARG A 42 49.909 41.626 24.557 1.00 0.00 C ATOM 659 O ARG A 42 50.302 42.486 25.342 1.00 0.00 O ATOM 660 CB ARG A 42 51.706 39.900 24.820 1.00 0.00 C ATOM 661 CG ARG A 42 52.731 38.947 24.213 1.00 0.00 C ATOM 662 CD ARG A 42 53.371 38.126 25.328 1.00 0.00 C ATOM 663 NE ARG A 42 54.438 37.241 24.860 1.00 0.00 N ATOM 664 CZ ARG A 42 54.288 36.038 24.290 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.091 35.510 23.996 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.345 35.277 23.975 1.00 0.00 N ATOM 0 H ARG A 42 52.301 42.279 23.588 1.00 0.00 H new ATOM 0 HA ARG A 42 50.392 40.081 23.145 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.221 40.566 25.512 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.997 39.317 25.407 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.250 38.288 23.490 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.494 39.509 23.674 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.775 38.803 26.081 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.601 37.528 25.816 1.00 0.00 H new ATOM 0 HE ARG A 42 55.394 37.574 24.980 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.239 36.029 24.207 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.033 34.589 23.562 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.289 35.610 24.169 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.205 34.364 23.542 1.00 0.00 H new ATOM 680 N LEU A 43 48.620 41.432 24.289 1.00 0.00 N ATOM 681 CA LEU A 43 47.545 42.209 24.870 1.00 0.00 C ATOM 682 C LEU A 43 46.960 41.547 26.119 1.00 0.00 C ATOM 683 O LEU A 43 46.787 40.331 26.170 1.00 0.00 O ATOM 684 CB LEU A 43 46.474 42.492 23.819 1.00 0.00 C ATOM 685 CG LEU A 43 46.917 43.482 22.747 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.970 43.432 21.551 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.927 44.916 23.269 1.00 0.00 C ATOM 0 H LEU A 43 48.294 40.711 23.645 1.00 0.00 H new ATOM 0 HA LEU A 43 47.960 43.161 25.202 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.189 41.555 23.341 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.584 42.880 24.315 1.00 0.00 H new ATOM 0 HG LEU A 43 47.927 43.194 22.455 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.300 44.145 20.795 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.971 42.428 21.128 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.961 43.688 21.875 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.248 45.590 22.475 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.924 45.191 23.595 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.616 44.992 24.110 1.00 0.00 H new ATOM 699 N ILE A 44 46.661 42.366 27.123 1.00 0.00 N ATOM 700 CA ILE A 44 46.213 41.967 28.442 1.00 0.00 C ATOM 701 C ILE A 44 44.931 42.702 28.837 1.00 0.00 C ATOM 702 O ILE A 44 44.823 43.918 28.692 1.00 0.00 O ATOM 703 CB ILE A 44 47.339 42.130 29.459 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.447 41.113 29.199 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.846 42.009 30.897 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.731 41.328 29.994 1.00 0.00 C ATOM 0 H ILE A 44 46.730 43.379 27.027 1.00 0.00 H new ATOM 0 HA ILE A 44 45.956 40.908 28.424 1.00 0.00 H new ATOM 0 HB ILE A 44 47.735 43.138 29.333 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.063 40.118 29.423 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.690 41.129 28.137 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.686 42.132 31.581 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.102 42.781 31.093 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.398 41.027 31.046 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.453 40.553 29.736 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.148 42.306 29.754 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.511 41.279 31.060 1.00 0.00 H new ATOM 718 N PHE A 45 43.981 41.962 29.402 1.00 0.00 N ATOM 719 CA PHE A 45 42.786 42.472 30.044 1.00 0.00 C ATOM 720 C PHE A 45 42.359 41.538 31.179 1.00 0.00 C ATOM 721 O PHE A 45 42.414 40.321 31.020 1.00 0.00 O ATOM 722 CB PHE A 45 41.665 42.599 29.017 1.00 0.00 C ATOM 723 CG PHE A 45 40.312 42.941 29.594 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.032 44.247 30.012 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.333 41.948 29.721 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.769 44.566 30.526 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.071 42.262 30.238 1.00 0.00 C ATOM 728 CZ PHE A 45 37.786 43.575 30.634 1.00 0.00 C ATOM 0 H PHE A 45 44.031 40.943 29.422 1.00 0.00 H new ATOM 0 HA PHE A 45 42.998 43.456 30.463 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.940 43.366 28.293 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.584 41.659 28.470 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.792 45.011 29.938 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.553 40.935 29.418 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.553 45.577 30.839 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.318 41.493 30.331 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.809 43.823 31.022 1.00 0.00 H new ATOM 738 N ALA A 46 41.916 42.088 32.305 1.00 0.00 N ATOM 739 CA ALA A 46 41.379 41.358 33.436 1.00 0.00 C ATOM 740 C ALA A 46 42.255 40.194 33.904 1.00 0.00 C ATOM 741 O ALA A 46 41.783 39.089 34.159 1.00 0.00 O ATOM 742 CB ALA A 46 39.931 40.980 33.137 1.00 0.00 C ATOM 0 H ALA A 46 41.924 43.097 32.455 1.00 0.00 H new ATOM 0 HA ALA A 46 41.387 42.014 34.307 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.517 40.430 33.982 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.346 41.884 32.971 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.895 40.355 32.245 1.00 0.00 H new ATOM 748 N GLY A 47 43.567 40.412 33.955 1.00 0.00 N ATOM 749 CA GLY A 47 44.550 39.410 34.317 1.00 0.00 C ATOM 750 C GLY A 47 44.814 38.318 33.280 1.00 0.00 C ATOM 751 O GLY A 47 45.648 37.453 33.538 1.00 0.00 O ATOM 0 H GLY A 47 43.981 41.319 33.738 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.492 39.915 34.530 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.228 38.933 35.243 1.00 0.00 H new ATOM 755 N LYS A 48 44.157 38.326 32.123 1.00 0.00 N ATOM 756 CA LYS A 48 44.359 37.399 31.028 1.00 0.00 C ATOM 757 C LYS A 48 45.351 37.963 30.010 1.00 0.00 C ATOM 758 O LYS A 48 45.130 39.066 29.514 1.00 0.00 O ATOM 759 CB LYS A 48 43.040 37.133 30.306 1.00 0.00 C ATOM 760 CG LYS A 48 41.927 36.530 31.158 1.00 0.00 C ATOM 761 CD LYS A 48 40.670 36.423 30.300 1.00 0.00 C ATOM 762 CE LYS A 48 39.483 35.774 31.006 1.00 0.00 C ATOM 763 NZ LYS A 48 39.748 34.375 31.375 1.00 0.00 N ATOM 0 H LYS A 48 43.434 39.017 31.920 1.00 0.00 H new ATOM 0 HA LYS A 48 44.752 36.475 31.452 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.682 38.073 29.886 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.235 36.463 29.469 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.221 35.547 31.525 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.738 37.153 32.032 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.381 37.422 29.972 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.904 35.848 29.404 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.241 36.344 31.903 1.00 0.00 H new ATOM 0 HE3 LYS A 48 38.609 35.816 30.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.886 33.952 31.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.036 33.842 30.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.510 34.341 32.082 1.00 0.00 H new ATOM 777 N GLN A 49 46.356 37.190 29.606 1.00 0.00 N ATOM 778 CA GLN A 49 46.936 37.349 28.288 1.00 0.00 C ATOM 779 C GLN A 49 45.955 36.809 27.246 1.00 0.00 C ATOM 780 O GLN A 49 45.543 35.654 27.332 1.00 0.00 O ATOM 781 CB GLN A 49 48.285 36.647 28.167 1.00 0.00 C ATOM 782 CG GLN A 49 49.414 37.331 28.931 1.00 0.00 C ATOM 783 CD GLN A 49 50.805 36.834 28.536 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.988 36.018 27.637 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.863 37.362 29.147 1.00 0.00 N ATOM 0 H GLN A 49 46.779 36.454 30.172 1.00 0.00 H new ATOM 0 HA GLN A 49 47.117 38.410 28.116 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.184 35.624 28.529 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.558 36.587 27.113 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.359 38.406 28.760 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.269 37.170 29.999 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.733 38.042 29.896 1.00 0.00 H new ATOM 0 HE22 GLN A 49 52.804 37.087 28.866 1.00 0.00 H new ATOM 794 N LEU A 50 45.572 37.645 26.284 1.00 0.00 N ATOM 795 CA LEU A 50 44.509 37.369 25.339 1.00 0.00 C ATOM 796 C LEU A 50 44.982 36.519 24.160 1.00 0.00 C ATOM 797 O LEU A 50 46.169 36.499 23.840 1.00 0.00 O ATOM 798 CB LEU A 50 43.855 38.680 24.909 1.00 0.00 C ATOM 799 CG LEU A 50 43.372 39.590 26.032 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.753 40.859 25.453 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.343 38.918 26.937 1.00 0.00 C ATOM 0 H LEU A 50 46.008 38.556 26.142 1.00 0.00 H new ATOM 0 HA LEU A 50 43.751 36.761 25.833 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.569 39.236 24.301 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.005 38.445 24.269 1.00 0.00 H new ATOM 0 HG LEU A 50 44.249 39.827 26.634 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.412 41.501 26.265 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.498 41.389 24.860 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.906 40.595 24.820 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.036 39.614 27.718 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.474 38.628 26.347 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.784 38.032 27.394 1.00 0.00 H new ATOM 813 N GLU A 51 44.058 35.792 23.539 1.00 0.00 N ATOM 814 CA GLU A 51 44.332 34.781 22.537 1.00 0.00 C ATOM 815 C GLU A 51 43.543 35.014 21.248 1.00 0.00 C ATOM 816 O GLU A 51 42.483 35.637 21.249 1.00 0.00 O ATOM 817 CB GLU A 51 44.107 33.395 23.134 1.00 0.00 C ATOM 818 CG GLU A 51 45.008 33.117 24.334 1.00 0.00 C ATOM 819 CD GLU A 51 44.868 31.724 24.953 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.608 31.428 25.917 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.032 30.903 24.520 1.00 0.00 O ATOM 0 H GLU A 51 43.062 35.899 23.731 1.00 0.00 H new ATOM 0 HA GLU A 51 45.379 34.853 22.243 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.065 33.300 23.438 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.286 32.641 22.368 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.045 33.257 24.028 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.799 33.860 25.103 1.00 0.00 H new ATOM 828 N ASP A 52 44.048 34.524 20.120 1.00 0.00 N ATOM 829 CA ASP A 52 43.607 34.917 18.797 1.00 0.00 C ATOM 830 C ASP A 52 42.221 34.385 18.426 1.00 0.00 C ATOM 831 O ASP A 52 41.837 33.282 18.808 1.00 0.00 O ATOM 832 CB ASP A 52 44.585 34.447 17.724 1.00 0.00 C ATOM 833 CG ASP A 52 46.028 34.925 17.902 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.271 36.098 18.262 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.937 34.098 17.678 1.00 0.00 O ATOM 0 H ASP A 52 44.792 33.827 20.106 1.00 0.00 H new ATOM 0 HA ASP A 52 43.561 36.005 18.835 1.00 0.00 H new ATOM 0 HB2 ASP A 52 44.580 33.357 17.703 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.224 34.786 16.753 1.00 0.00 H new ATOM 840 N GLY A 53 41.490 35.137 17.607 1.00 0.00 N ATOM 841 CA GLY A 53 40.201 34.768 17.056 1.00 0.00 C ATOM 842 C GLY A 53 39.021 34.888 18.022 1.00 0.00 C ATOM 843 O GLY A 53 37.879 34.685 17.615 1.00 0.00 O ATOM 0 H GLY A 53 41.799 36.059 17.300 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.003 35.394 16.186 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.257 33.739 16.702 1.00 0.00 H new ATOM 847 N ARG A 54 39.270 35.234 19.282 1.00 0.00 N ATOM 848 CA ARG A 54 38.274 35.628 20.257 1.00 0.00 C ATOM 849 C ARG A 54 38.010 37.128 20.114 1.00 0.00 C ATOM 850 O ARG A 54 38.944 37.899 19.905 1.00 0.00 O ATOM 851 CB ARG A 54 38.744 35.292 21.669 1.00 0.00 C ATOM 852 CG ARG A 54 38.826 33.814 22.040 1.00 0.00 C ATOM 853 CD ARG A 54 39.940 33.057 21.322 1.00 0.00 C ATOM 854 NE ARG A 54 40.232 31.763 21.940 1.00 0.00 N ATOM 855 CZ ARG A 54 41.360 31.059 21.771 1.00 0.00 C ATOM 856 NH1 ARG A 54 42.312 31.444 20.911 1.00 0.00 N ATOM 857 NH2 ARG A 54 41.577 29.933 22.465 1.00 0.00 N ATOM 0 H ARG A 54 40.216 35.246 19.662 1.00 0.00 H new ATOM 0 HA ARG A 54 37.349 35.079 20.078 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.731 35.732 21.811 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.073 35.781 22.375 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.976 33.727 23.116 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.872 33.339 21.812 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.656 32.902 20.281 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.844 33.666 21.319 1.00 0.00 H new ATOM 0 HE ARG A 54 39.518 31.364 22.550 1.00 0.00 H new ATOM 0 HH11 ARG A 54 42.190 32.295 20.362 1.00 0.00 H new ATOM 0 HH12 ARG A 54 43.159 30.886 20.805 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.879 29.602 23.131 1.00 0.00 H new ATOM 0 HH22 ARG A 54 42.440 29.407 22.327 1.00 0.00 H new ATOM 871 N THR A 55 36.751 37.549 20.207 1.00 0.00 N ATOM 872 CA THR A 55 36.368 38.944 20.125 1.00 0.00 C ATOM 873 C THR A 55 36.473 39.680 21.462 1.00 0.00 C ATOM 874 O THR A 55 36.544 39.063 22.523 1.00 0.00 O ATOM 875 CB THR A 55 34.983 39.156 19.521 1.00 0.00 C ATOM 876 OG1 THR A 55 33.966 38.555 20.291 1.00 0.00 O ATOM 877 CG2 THR A 55 34.896 38.610 18.099 1.00 0.00 C ATOM 0 H THR A 55 35.962 36.917 20.343 1.00 0.00 H new ATOM 0 HA THR A 55 37.099 39.380 19.445 1.00 0.00 H new ATOM 0 HB THR A 55 34.832 40.235 19.509 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.936 37.594 20.101 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.894 38.780 17.704 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.626 39.118 17.469 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.106 37.540 18.106 1.00 0.00 H new ATOM 885 N LEU A 56 36.394 41.007 21.423 1.00 0.00 N ATOM 886 CA LEU A 56 36.191 41.821 22.603 1.00 0.00 C ATOM 887 C LEU A 56 34.954 41.369 23.382 1.00 0.00 C ATOM 888 O LEU A 56 35.035 41.224 24.600 1.00 0.00 O ATOM 889 CB LEU A 56 36.134 43.298 22.223 1.00 0.00 C ATOM 890 CG LEU A 56 37.394 43.866 21.575 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.292 45.387 21.486 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.680 43.547 22.333 1.00 0.00 C ATOM 0 H LEU A 56 36.471 41.546 20.561 1.00 0.00 H new ATOM 0 HA LEU A 56 37.041 41.688 23.272 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.298 43.446 21.539 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.917 43.877 23.121 1.00 0.00 H new ATOM 0 HG LEU A 56 37.451 43.394 20.594 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.194 45.786 21.023 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.425 45.659 20.884 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.184 45.804 22.487 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.529 43.985 21.809 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.621 43.961 23.339 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.809 42.466 22.393 1.00 0.00 H new ATOM 904 N SER A 57 33.851 41.046 22.713 1.00 0.00 N ATOM 905 CA SER A 57 32.665 40.474 23.315 1.00 0.00 C ATOM 906 C SER A 57 32.897 39.110 23.970 1.00 0.00 C ATOM 907 O SER A 57 32.422 38.881 25.081 1.00 0.00 O ATOM 908 CB SER A 57 31.566 40.367 22.262 1.00 0.00 C ATOM 909 OG SER A 57 30.328 40.073 22.867 1.00 0.00 O ATOM 0 H SER A 57 33.762 41.182 21.706 1.00 0.00 H new ATOM 0 HA SER A 57 32.368 41.146 24.120 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.493 41.303 21.708 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.819 39.589 21.542 1.00 0.00 H new ATOM 0 HG SER A 57 29.634 40.009 22.178 1.00 0.00 H new ATOM 915 N ASP A 58 33.687 38.225 23.371 1.00 0.00 N ATOM 916 CA ASP A 58 34.045 36.949 23.956 1.00 0.00 C ATOM 917 C ASP A 58 34.863 37.074 25.244 1.00 0.00 C ATOM 918 O ASP A 58 34.874 36.146 26.049 1.00 0.00 O ATOM 919 CB ASP A 58 34.821 36.081 22.970 1.00 0.00 C ATOM 920 CG ASP A 58 34.002 35.667 21.746 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.965 34.989 21.914 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.416 35.996 20.614 1.00 0.00 O ATOM 0 H ASP A 58 34.100 38.382 22.452 1.00 0.00 H new ATOM 0 HA ASP A 58 33.094 36.479 24.205 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.706 36.624 22.638 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.170 35.185 23.483 1.00 0.00 H new ATOM 927 N TYR A 59 35.526 38.208 25.450 1.00 0.00 N ATOM 928 CA TYR A 59 36.212 38.590 26.668 1.00 0.00 C ATOM 929 C TYR A 59 35.443 39.585 27.539 1.00 0.00 C ATOM 930 O TYR A 59 35.973 40.014 28.562 1.00 0.00 O ATOM 931 CB TYR A 59 37.614 39.082 26.321 1.00 0.00 C ATOM 932 CG TYR A 59 38.595 38.008 25.917 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.955 37.024 26.846 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.193 38.022 24.651 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.897 36.044 26.512 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.170 37.075 24.321 1.00 0.00 C ATOM 937 CZ TYR A 59 40.518 36.072 25.247 1.00 0.00 C ATOM 938 OH TYR A 59 41.442 35.123 24.922 1.00 0.00 O ATOM 0 H TYR A 59 35.600 38.922 24.726 1.00 0.00 H new ATOM 0 HA TYR A 59 36.284 37.700 27.293 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.537 39.804 25.508 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.018 39.614 27.183 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.503 37.021 27.827 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.899 38.767 23.926 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.147 35.269 27.221 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.656 37.113 23.357 1.00 0.00 H new ATOM 0 HH TYR A 59 41.220 34.735 24.050 1.00 0.00 H new ATOM 948 N ASN A 60 34.207 39.936 27.193 1.00 0.00 N ATOM 949 CA ASN A 60 33.383 40.909 27.882 1.00 0.00 C ATOM 950 C ASN A 60 34.008 42.299 28.004 1.00 0.00 C ATOM 951 O ASN A 60 33.773 43.007 28.981 1.00 0.00 O ATOM 952 CB ASN A 60 32.880 40.325 29.198 1.00 0.00 C ATOM 953 CG ASN A 60 31.651 41.042 29.761 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.742 41.440 29.037 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.542 41.174 31.080 1.00 0.00 N ATOM 0 H ASN A 60 33.736 39.527 26.386 1.00 0.00 H new ATOM 0 HA ASN A 60 32.513 41.104 27.254 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.639 39.272 29.049 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.683 40.367 29.934 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.709 41.603 31.482 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.292 40.846 31.689 1.00 0.00 H new ATOM 962 N ILE A 61 34.812 42.713 27.027 1.00 0.00 N ATOM 963 CA ILE A 61 35.420 44.025 26.943 1.00 0.00 C ATOM 964 C ILE A 61 34.400 45.005 26.361 1.00 0.00 C ATOM 965 O ILE A 61 33.687 44.683 25.413 1.00 0.00 O ATOM 966 CB ILE A 61 36.721 43.947 26.150 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.758 43.092 26.872 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.297 45.335 25.877 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.912 42.610 25.997 1.00 0.00 C ATOM 0 H ILE A 61 35.064 42.112 26.242 1.00 0.00 H new ATOM 0 HA ILE A 61 35.694 44.396 27.931 1.00 0.00 H new ATOM 0 HB ILE A 61 36.482 43.479 25.195 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.166 43.666 27.704 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.258 42.223 27.300 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.223 45.240 25.310 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.579 45.920 25.303 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.501 45.837 26.823 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.597 42.011 26.596 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.521 42.005 25.179 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.443 43.470 25.589 1.00 0.00 H new ATOM 981 N GLN A 62 34.312 46.194 26.951 1.00 0.00 N ATOM 982 CA GLN A 62 33.253 47.158 26.728 1.00 0.00 C ATOM 983 C GLN A 62 33.786 48.582 26.563 1.00 0.00 C ATOM 984 O GLN A 62 34.961 48.857 26.794 1.00 0.00 O ATOM 985 CB GLN A 62 32.270 47.069 27.892 1.00 0.00 C ATOM 986 CG GLN A 62 31.521 45.741 27.965 1.00 0.00 C ATOM 987 CD GLN A 62 30.445 45.760 29.052 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.372 46.331 28.870 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.688 45.205 30.237 1.00 0.00 N ATOM 0 H GLN A 62 35.007 46.519 27.623 1.00 0.00 H new ATOM 0 HA GLN A 62 32.749 46.918 25.792 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.812 47.222 28.825 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.546 47.880 27.807 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.060 45.529 27.000 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.227 44.935 28.165 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.574 44.727 30.404 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.989 45.257 30.978 1.00 0.00 H new ATOM 998 N LYS A 63 32.922 49.517 26.182 1.00 0.00 N ATOM 999 CA LYS A 63 33.201 50.937 26.104 1.00 0.00 C ATOM 1000 C LYS A 63 33.824 51.470 27.395 1.00 0.00 C ATOM 1001 O LYS A 63 33.294 51.247 28.481 1.00 0.00 O ATOM 1002 CB LYS A 63 31.886 51.642 25.785 1.00 0.00 C ATOM 1003 CG LYS A 63 31.976 53.164 25.736 1.00 0.00 C ATOM 1004 CD LYS A 63 30.626 53.760 25.344 1.00 0.00 C ATOM 1005 CE LYS A 63 30.652 55.278 25.500 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.312 55.868 25.368 1.00 0.00 N ATOM 0 H LYS A 63 31.966 49.290 25.908 1.00 0.00 H new ATOM 0 HA LYS A 63 33.936 51.129 25.322 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.520 51.282 24.824 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.146 51.359 26.534 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.283 53.549 26.709 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.738 53.468 25.018 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.391 53.498 24.313 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.839 53.337 25.968 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.067 55.535 26.475 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.313 55.708 24.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.374 56.900 25.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.925 55.645 24.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.687 55.477 26.101 1.00 0.00 H new ATOM 1020 N GLU A 64 34.941 52.181 27.273 1.00 0.00 N ATOM 1021 CA GLU A 64 35.725 52.726 28.363 1.00 0.00 C ATOM 1022 C GLU A 64 36.428 51.694 29.249 1.00 0.00 C ATOM 1023 O GLU A 64 36.935 52.032 30.316 1.00 0.00 O ATOM 1024 CB GLU A 64 34.906 53.774 29.111 1.00 0.00 C ATOM 1025 CG GLU A 64 35.713 54.867 29.806 1.00 0.00 C ATOM 1026 CD GLU A 64 34.772 55.963 30.310 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.454 56.893 29.538 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.329 55.912 31.478 1.00 0.00 O ATOM 0 H GLU A 64 35.340 52.401 26.360 1.00 0.00 H new ATOM 0 HA GLU A 64 36.585 53.231 27.923 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.221 54.245 28.406 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.295 53.267 29.858 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.273 54.444 30.640 1.00 0.00 H new ATOM 0 HG3 GLU A 64 36.442 55.290 29.114 1.00 0.00 H new ATOM 1035 N SER A 65 36.529 50.442 28.811 1.00 0.00 N ATOM 1036 CA SER A 65 37.388 49.452 29.428 1.00 0.00 C ATOM 1037 C SER A 65 38.867 49.807 29.263 1.00 0.00 C ATOM 1038 O SER A 65 39.273 50.366 28.247 1.00 0.00 O ATOM 1039 CB SER A 65 37.132 48.056 28.865 1.00 0.00 C ATOM 1040 OG SER A 65 35.910 47.536 29.334 1.00 0.00 O ATOM 0 H SER A 65 36.008 50.089 28.008 1.00 0.00 H new ATOM 0 HA SER A 65 37.145 49.451 30.491 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.119 48.097 27.776 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.947 47.391 29.150 1.00 0.00 H new ATOM 0 HG SER A 65 35.968 46.559 29.384 1.00 0.00 H new ATOM 1046 N THR A 66 39.669 49.446 30.260 1.00 0.00 N ATOM 1047 CA THR A 66 41.100 49.678 30.295 1.00 0.00 C ATOM 1048 C THR A 66 41.859 48.366 30.087 1.00 0.00 C ATOM 1049 O THR A 66 41.531 47.356 30.706 1.00 0.00 O ATOM 1050 CB THR A 66 41.523 50.349 31.598 1.00 0.00 C ATOM 1051 OG1 THR A 66 40.759 51.507 31.852 1.00 0.00 O ATOM 1052 CG2 THR A 66 42.976 50.812 31.588 1.00 0.00 C ATOM 0 H THR A 66 39.324 48.968 31.092 1.00 0.00 H new ATOM 0 HA THR A 66 41.351 50.357 29.480 1.00 0.00 H new ATOM 0 HB THR A 66 41.373 49.583 32.359 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.052 51.914 32.694 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.215 51.281 32.543 1.00 0.00 H new ATOM 0 HG22 THR A 66 43.630 49.954 31.431 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.123 51.532 30.783 1.00 0.00 H new ATOM 1060 N LEU A 67 42.863 48.371 29.214 1.00 0.00 N ATOM 1061 CA LEU A 67 43.688 47.247 28.825 1.00 0.00 C ATOM 1062 C LEU A 67 45.172 47.588 28.981 1.00 0.00 C ATOM 1063 O LEU A 67 45.546 48.753 29.082 1.00 0.00 O ATOM 1064 CB LEU A 67 43.412 46.847 27.379 1.00 0.00 C ATOM 1065 CG LEU A 67 42.025 46.303 27.046 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.004 47.402 26.768 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.115 45.458 25.779 1.00 0.00 C ATOM 0 H LEU A 67 43.135 49.226 28.729 1.00 0.00 H new ATOM 0 HA LEU A 67 43.440 46.411 29.479 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.590 47.719 26.750 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.145 46.093 27.094 1.00 0.00 H new ATOM 0 HG LEU A 67 41.699 45.731 27.915 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.038 46.952 26.538 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.907 48.039 27.647 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.336 48.001 25.920 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.129 45.065 25.533 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.476 46.074 24.955 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.805 44.630 25.942 1.00 0.00 H new ATOM 1079 N HIS A 68 46.029 46.572 28.937 1.00 0.00 N ATOM 1080 CA HIS A 68 47.471 46.692 29.025 1.00 0.00 C ATOM 1081 C HIS A 68 48.153 45.998 27.845 1.00 0.00 C ATOM 1082 O HIS A 68 47.628 45.031 27.299 1.00 0.00 O ATOM 1083 CB HIS A 68 47.898 46.138 30.382 1.00 0.00 C ATOM 1084 CG HIS A 68 49.341 46.368 30.737 1.00 0.00 C ATOM 1085 ND1 HIS A 68 49.971 47.612 30.754 1.00 0.00 N ATOM 1086 CD2 HIS A 68 50.202 45.435 31.251 1.00 0.00 C ATOM 1087 CE1 HIS A 68 51.201 47.403 31.229 1.00 0.00 C ATOM 1088 NE2 HIS A 68 51.366 46.112 31.558 1.00 0.00 N ATOM 0 H HIS A 68 45.720 45.605 28.835 1.00 0.00 H new ATOM 0 HA HIS A 68 47.783 47.734 28.959 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.273 46.588 31.154 1.00 0.00 H new ATOM 0 HB3 HIS A 68 47.702 45.066 30.398 1.00 0.00 H new ATOM 0 HD2 HIS A 68 50.009 44.381 31.389 1.00 0.00 H new ATOM 0 HE1 HIS A 68 51.958 48.166 31.334 1.00 0.00 H new ATOM 0 HE2 HIS A 68 52.207 45.702 31.965 1.00 0.00 H new ATOM 1096 N LEU A 69 49.318 46.489 27.435 1.00 0.00 N ATOM 1097 CA LEU A 69 50.108 45.971 26.336 1.00 0.00 C ATOM 1098 C LEU A 69 51.554 45.775 26.799 1.00 0.00 C ATOM 1099 O LEU A 69 52.185 46.720 27.267 1.00 0.00 O ATOM 1100 CB LEU A 69 49.999 46.939 25.162 1.00 0.00 C ATOM 1101 CG LEU A 69 50.975 46.715 24.011 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.844 45.340 23.363 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.745 47.761 22.924 1.00 0.00 C ATOM 0 H LEU A 69 49.752 47.296 27.884 1.00 0.00 H new ATOM 0 HA LEU A 69 49.739 44.999 26.008 1.00 0.00 H new ATOM 0 HB2 LEU A 69 48.985 46.885 24.766 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.141 47.952 25.539 1.00 0.00 H new ATOM 0 HG LEU A 69 51.971 46.793 24.446 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.567 45.249 22.553 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.034 44.567 24.108 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.836 45.220 22.965 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.445 47.595 22.105 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.724 47.679 22.551 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.901 48.757 23.339 1.00 0.00 H new ATOM 1115 N VAL A 70 52.094 44.573 26.622 1.00 0.00 N ATOM 1116 CA VAL A 70 53.469 44.241 26.937 1.00 0.00 C ATOM 1117 C VAL A 70 54.188 43.680 25.707 1.00 0.00 C ATOM 1118 O VAL A 70 53.592 42.991 24.883 1.00 0.00 O ATOM 1119 CB VAL A 70 53.577 43.336 28.161 1.00 0.00 C ATOM 1120 CG1 VAL A 70 52.923 43.995 29.372 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.970 41.949 27.974 1.00 0.00 C ATOM 0 H VAL A 70 51.568 43.785 26.245 1.00 0.00 H new ATOM 0 HA VAL A 70 53.984 45.161 27.212 1.00 0.00 H new ATOM 0 HB VAL A 70 54.647 43.198 28.317 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.009 43.336 30.236 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.422 44.940 29.586 1.00 0.00 H new ATOM 0 HG13 VAL A 70 51.870 44.180 29.161 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.090 41.373 28.891 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.909 42.044 27.742 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.476 41.438 27.155 1.00 0.00 H new ATOM 1131 N LEU A 71 55.462 44.030 25.556 1.00 0.00 N ATOM 1132 CA LEU A 71 56.247 43.791 24.361 1.00 0.00 C ATOM 1133 C LEU A 71 57.368 42.778 24.605 1.00 0.00 C ATOM 1134 O LEU A 71 57.924 42.706 25.699 1.00 0.00 O ATOM 1135 CB LEU A 71 56.772 45.116 23.814 1.00 0.00 C ATOM 1136 CG LEU A 71 55.730 46.204 23.574 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.385 47.412 22.913 1.00 0.00 C ATOM 1138 CD2 LEU A 71 54.584 45.746 22.675 1.00 0.00 C ATOM 0 H LEU A 71 55.989 44.503 26.290 1.00 0.00 H new ATOM 0 HA LEU A 71 55.601 43.343 23.606 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.518 45.503 24.509 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.285 44.919 22.873 1.00 0.00 H new ATOM 0 HG LEU A 71 55.320 46.454 24.553 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.636 48.185 22.744 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.169 47.802 23.563 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.820 47.114 21.959 1.00 0.00 H new ATOM 0 HD21 LEU A 71 53.876 46.564 22.542 1.00 0.00 H new ATOM 0 HD22 LEU A 71 54.980 45.448 21.704 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.077 44.898 23.136 1.00 0.00 H new ATOM 1150 N ARG A 72 57.701 41.984 23.592 1.00 0.00 N ATOM 1151 CA ARG A 72 58.612 40.864 23.727 1.00 0.00 C ATOM 1152 C ARG A 72 60.071 41.257 23.961 1.00 0.00 C ATOM 1153 O ARG A 72 60.768 40.527 24.664 1.00 0.00 O ATOM 1154 CB ARG A 72 58.506 39.923 22.530 1.00 0.00 C ATOM 1155 CG ARG A 72 57.184 39.162 22.478 1.00 0.00 C ATOM 1156 CD ARG A 72 57.254 38.056 21.429 1.00 0.00 C ATOM 1157 NE ARG A 72 55.942 37.446 21.212 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.663 36.171 20.904 1.00 0.00 C ATOM 1159 NH1 ARG A 72 56.570 35.189 20.815 1.00 0.00 N ATOM 1160 NH2 ARG A 72 54.395 35.817 20.651 1.00 0.00 N ATOM 0 H ARG A 72 57.339 42.106 22.646 1.00 0.00 H new ATOM 0 HA ARG A 72 58.291 40.348 24.632 1.00 0.00 H new ATOM 0 HB2 ARG A 72 58.622 40.499 21.612 1.00 0.00 H new ATOM 0 HB3 ARG A 72 59.328 39.208 22.564 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.964 38.733 23.456 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.370 39.847 22.241 1.00 0.00 H new ATOM 0 HD2 ARG A 72 57.627 38.465 20.490 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.964 37.293 21.749 1.00 0.00 H new ATOM 0 HE ARG A 72 55.139 38.068 21.307 1.00 0.00 H new ATOM 0 HH11 ARG A 72 57.555 35.388 20.987 1.00 0.00 H new ATOM 0 HH12 ARG A 72 56.275 34.243 20.575 1.00 0.00 H new ATOM 0 HH21 ARG A 72 53.652 36.515 20.694 1.00 0.00 H new ATOM 0 HH22 ARG A 72 54.173 34.850 20.416 1.00 0.00 H new ATOM 1174 N LEU A 73 60.540 42.382 23.428 1.00 0.00 N ATOM 1175 CA LEU A 73 61.922 42.811 23.487 1.00 0.00 C ATOM 1176 C LEU A 73 62.194 43.899 24.528 1.00 0.00 C ATOM 1177 O LEU A 73 63.273 44.486 24.542 1.00 0.00 O ATOM 1178 CB LEU A 73 62.418 43.162 22.087 1.00 0.00 C ATOM 1179 CG LEU A 73 62.241 42.070 21.037 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.719 42.571 19.677 1.00 0.00 C ATOM 1181 CD2 LEU A 73 63.025 40.803 21.367 1.00 0.00 C ATOM 0 H LEU A 73 59.942 43.039 22.927 1.00 0.00 H new ATOM 0 HA LEU A 73 62.512 41.969 23.850 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.895 44.056 21.748 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.476 43.416 22.148 1.00 0.00 H new ATOM 0 HG LEU A 73 61.178 41.829 21.022 1.00 0.00 H new ATOM 0 HD11 LEU A 73 62.589 41.785 18.933 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.137 43.445 19.386 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.773 42.841 19.739 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.862 40.060 20.586 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.088 41.038 21.428 1.00 0.00 H new ATOM 0 HD23 LEU A 73 62.686 40.404 22.323 1.00 0.00 H new ATOM 1193 N ARG A 74 61.252 44.159 25.429 1.00 0.00 N ATOM 1194 CA ARG A 74 61.377 45.075 26.545 1.00 0.00 C ATOM 1195 C ARG A 74 61.276 44.338 27.882 1.00 0.00 C ATOM 1196 O ARG A 74 60.588 43.325 27.980 1.00 0.00 O ATOM 1197 CB ARG A 74 60.370 46.217 26.439 1.00 0.00 C ATOM 1198 CG ARG A 74 60.557 47.028 25.160 1.00 0.00 C ATOM 1199 CD ARG A 74 59.747 48.321 25.167 1.00 0.00 C ATOM 1200 NE ARG A 74 59.955 49.097 23.944 1.00 0.00 N ATOM 1201 CZ ARG A 74 61.052 49.797 23.621 1.00 0.00 C ATOM 1202 NH1 ARG A 74 62.111 49.924 24.431 1.00 0.00 N ATOM 1203 NH2 ARG A 74 61.140 50.408 22.431 1.00 0.00 N ATOM 0 H ARG A 74 60.336 43.711 25.394 1.00 0.00 H new ATOM 0 HA ARG A 74 62.370 45.522 26.503 1.00 0.00 H new ATOM 0 HB2 ARG A 74 59.358 45.812 26.467 1.00 0.00 H new ATOM 0 HB3 ARG A 74 60.474 46.873 27.303 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.613 47.265 25.035 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.262 46.423 24.303 1.00 0.00 H new ATOM 0 HD2 ARG A 74 58.688 48.086 25.273 1.00 0.00 H new ATOM 0 HD3 ARG A 74 60.029 48.922 26.032 1.00 0.00 H new ATOM 0 HE ARG A 74 59.189 49.106 23.270 1.00 0.00 H new ATOM 0 HH11 ARG A 74 62.109 49.475 25.347 1.00 0.00 H new ATOM 0 HH12 ARG A 74 62.919 50.470 24.132 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.370 50.342 21.766 1.00 0.00 H new ATOM 0 HH22 ARG A 74 61.977 50.939 22.191 1.00 0.00 H new ATOM 1217 N GLY A 75 61.989 44.820 28.896 1.00 0.00 N ATOM 1218 CA GLY A 75 62.067 44.227 30.216 1.00 0.00 C ATOM 1219 C GLY A 75 62.833 42.907 30.330 1.00 0.00 C ATOM 1220 O GLY A 75 62.869 42.330 31.415 1.00 0.00 O ATOM 0 H GLY A 75 62.549 45.669 28.811 1.00 0.00 H new ATOM 0 HA2 GLY A 75 62.531 44.949 30.887 1.00 0.00 H new ATOM 0 HA3 GLY A 75 61.051 44.064 30.577 1.00 0.00 H new ATOM 1224 N GLY A 76 63.436 42.415 29.251 1.00 0.00 N ATOM 1225 CA GLY A 76 64.088 41.124 29.175 1.00 0.00 C ATOM 1226 C GLY A 76 64.517 40.736 27.758 1.00 0.00 C ATOM 1227 O GLY A 76 65.312 41.489 27.154 1.00 0.00 O ATOM 1228 OXT GLY A 76 64.083 39.667 27.279 1.00 0.00 O ATOM 0 H GLY A 76 63.482 42.932 28.373 1.00 0.00 H new ATOM 0 HA2 GLY A 76 64.965 41.131 29.822 1.00 0.00 H new ATOM 0 HA3 GLY A 76 63.412 40.362 29.562 1.00 0.00 H new TER 1232 GLY A 76