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+ -112:sc= 0.132 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.29) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.19) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 162:sc= -0.0171 (180deg=-0.293) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 18 CYS SG : rot -18:sc= 0.0511 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc=0.000134 USER MOD Single : A 21 CYS SG : rot -152:sc= 0.696 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+ -171:sc= -0.0122 (180deg=-0.163) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0178 K(o=-0.018,f=-1.5) 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=-0.00741 X(o=-0.0074,f=0.28) 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 USER MOD Single : A 51 TYR OH : rot 0:sc= -1.39 USER MOD Single : A 52 GLN : amide:sc= -3.11 K(o=-3.1,f=-5.6!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 64 HIS : no HE2:sc= -2.89 K(o=-2.9,f=-6.3!) USER MOD Single : A 66 ASN : amide:sc= -0.0529 X(o=-0.053,f=-0.057) USER MOD Single : A 68 MET CE :methyl 147:sc= -3.97! (180deg=-7.54!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -57:sc= 0.00171 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.176 5.645 -7.379 1.00 24.15 N ATOM 2 CA ALA A 1 2.566 4.985 -6.139 1.00 24.12 C ATOM 3 C ALA A 1 3.824 4.146 -6.336 1.00 24.22 C ATOM 4 O ALA A 1 4.337 4.029 -7.448 1.00 52.42 O ATOM 5 CB ALA A 1 1.428 4.119 -5.621 1.00 73.20 C ATOM 0 H1 ALA A 1 2.309 6.672 -7.282 1.00 24.15 H new ATOM 0 H2 ALA A 1 2.764 5.291 -8.160 1.00 24.15 H new ATOM 0 H3 ALA A 1 1.176 5.443 -7.580 1.00 24.15 H new ATOM 0 HA ALA A 1 2.786 5.756 -5.400 1.00 24.12 H new ATOM 0 HB1 ALA A 1 1.734 3.632 -4.695 1.00 73.20 H new ATOM 0 HB2 ALA A 1 0.554 4.742 -5.432 1.00 73.20 H new ATOM 0 HB3 ALA A 1 1.180 3.361 -6.364 1.00 73.20 H new ATOM 11 N GLY A 2 4.318 3.563 -5.247 1.00 60.25 N ATOM 12 CA GLY A 2 5.513 2.742 -5.322 1.00 52.55 C ATOM 13 C GLY A 2 5.969 2.257 -3.961 1.00 3.20 C ATOM 14 O GLY A 2 5.388 2.619 -2.938 1.00 11.34 O ATOM 0 H GLY A 2 3.912 3.645 -4.315 1.00 60.25 H new ATOM 0 HA2 GLY A 2 5.320 1.883 -5.965 1.00 52.55 H new ATOM 0 HA3 GLY A 2 6.315 3.315 -5.788 1.00 52.55 H new ATOM 18 N HIS A 3 7.013 1.433 -3.947 1.00 54.52 N ATOM 19 CA HIS A 3 7.546 0.896 -2.700 1.00 42.54 C ATOM 20 C HIS A 3 7.900 2.021 -1.732 1.00 45.11 C ATOM 21 O HIS A 3 7.247 2.197 -0.704 1.00 72.33 O ATOM 22 CB HIS A 3 8.781 0.038 -2.977 1.00 51.33 C ATOM 23 CG HIS A 3 8.461 -1.294 -3.583 1.00 0.24 C ATOM 24 ND1 HIS A 3 7.218 -1.883 -3.491 1.00 32.23 N ATOM 25 CD2 HIS A 3 9.231 -2.151 -4.293 1.00 33.32 C ATOM 26 CE1 HIS A 3 7.237 -3.046 -4.117 1.00 20.33 C ATOM 27 NE2 HIS A 3 8.447 -3.233 -4.613 1.00 11.43 N ATOM 0 H HIS A 3 7.506 1.123 -4.785 1.00 54.52 H new ATOM 0 HA HIS A 3 6.777 0.275 -2.242 1.00 42.54 H new ATOM 0 HB2 HIS A 3 9.448 0.581 -3.646 1.00 51.33 H new ATOM 0 HB3 HIS A 3 9.322 -0.117 -2.044 1.00 51.33 H new ATOM 0 HD2 HIS A 3 10.268 -2.011 -4.559 1.00 33.32 H new ATOM 0 HE1 HIS A 3 6.405 -3.728 -4.208 1.00 20.33 H new ATOM 0 HE2 HIS A 3 8.750 -4.048 -5.147 1.00 11.43 H new ATOM 35 N MET A 4 8.940 2.779 -2.067 1.00 75.24 N ATOM 36 CA MET A 4 9.380 3.886 -1.227 1.00 52.53 C ATOM 37 C MET A 4 8.425 5.070 -1.344 1.00 14.14 C ATOM 38 O MET A 4 8.393 5.754 -2.366 1.00 11.52 O ATOM 39 CB MET A 4 10.795 4.318 -1.616 1.00 1.20 C ATOM 40 CG MET A 4 11.869 3.327 -1.198 1.00 2.22 C ATOM 41 SD MET A 4 13.524 4.042 -1.229 1.00 1.30 S ATOM 42 CE MET A 4 14.382 2.960 -0.089 1.00 22.23 C ATOM 0 H MET A 4 9.493 2.646 -2.914 1.00 75.24 H new ATOM 0 HA MET A 4 9.383 3.545 -0.192 1.00 52.53 H new ATOM 0 HB2 MET A 4 10.840 4.456 -2.696 1.00 1.20 H new ATOM 0 HB3 MET A 4 11.008 5.286 -1.162 1.00 1.20 H new ATOM 0 HG2 MET A 4 11.653 2.965 -0.193 1.00 2.22 H new ATOM 0 HG3 MET A 4 11.838 2.463 -1.861 1.00 2.22 H new ATOM 0 HE1 MET A 4 15.422 3.275 -0.001 1.00 22.23 H new ATOM 0 HE2 MET A 4 13.904 3.010 0.889 1.00 22.23 H new ATOM 0 HE3 MET A 4 14.343 1.936 -0.460 1.00 22.23 H new ATOM 52 N GLN A 5 7.649 5.304 -0.290 1.00 54.33 N ATOM 53 CA GLN A 5 6.692 6.405 -0.276 1.00 63.13 C ATOM 54 C GLN A 5 7.336 7.679 0.261 1.00 21.31 C ATOM 55 O GLN A 5 6.815 8.777 0.069 1.00 64.25 O ATOM 56 CB GLN A 5 5.473 6.038 0.572 1.00 3.41 C ATOM 57 CG GLN A 5 4.407 5.273 -0.194 1.00 72.31 C ATOM 58 CD GLN A 5 3.752 6.109 -1.276 1.00 70.30 C ATOM 59 OE1 GLN A 5 4.024 5.931 -2.464 1.00 10.32 O ATOM 60 NE2 GLN A 5 2.883 7.027 -0.870 1.00 51.13 N ATOM 0 H GLN A 5 7.664 4.747 0.564 1.00 54.33 H new ATOM 0 HA GLN A 5 6.370 6.587 -1.301 1.00 63.13 H new ATOM 0 HB2 GLN A 5 5.799 5.438 1.421 1.00 3.41 H new ATOM 0 HB3 GLN A 5 5.034 6.950 0.976 1.00 3.41 H new ATOM 0 HG2 GLN A 5 4.855 4.388 -0.645 1.00 72.31 H new ATOM 0 HG3 GLN A 5 3.644 4.925 0.502 1.00 72.31 H new ATOM 0 HE21 GLN A 5 2.688 7.140 0.125 1.00 51.13 H new ATOM 0 HE22 GLN A 5 2.410 7.619 -1.553 1.00 51.13 H new ATOM 69 N GLU A 6 8.471 7.523 0.936 1.00 41.24 N ATOM 70 CA GLU A 6 9.185 8.662 1.502 1.00 74.04 C ATOM 71 C GLU A 6 9.799 9.521 0.400 1.00 1.12 C ATOM 72 O GLU A 6 10.323 9.004 -0.586 1.00 23.55 O ATOM 73 CB GLU A 6 10.278 8.183 2.459 1.00 34.42 C ATOM 74 CG GLU A 6 9.843 7.033 3.353 1.00 14.51 C ATOM 75 CD GLU A 6 10.497 5.719 2.974 1.00 3.40 C ATOM 76 OE1 GLU A 6 10.461 5.361 1.778 1.00 23.05 O ATOM 77 OE2 GLU A 6 11.046 5.049 3.874 1.00 42.50 O ATOM 0 H GLU A 6 8.915 6.620 1.104 1.00 41.24 H new ATOM 0 HA GLU A 6 8.468 9.269 2.055 1.00 74.04 H new ATOM 0 HB2 GLU A 6 11.147 7.872 1.879 1.00 34.42 H new ATOM 0 HB3 GLU A 6 10.594 9.018 3.084 1.00 34.42 H new ATOM 0 HG2 GLU A 6 10.087 7.270 4.388 1.00 14.51 H new ATOM 0 HG3 GLU A 6 8.760 6.925 3.298 1.00 14.51 H new ATOM 84 N ALA A 7 9.729 10.837 0.576 1.00 65.42 N ATOM 85 CA ALA A 7 10.280 11.768 -0.401 1.00 75.13 C ATOM 86 C ALA A 7 11.240 12.752 0.258 1.00 21.41 C ATOM 87 O ALA A 7 10.971 13.264 1.345 1.00 52.35 O ATOM 88 CB ALA A 7 9.158 12.515 -1.108 1.00 1.24 C ATOM 0 H ALA A 7 9.296 11.282 1.386 1.00 65.42 H new ATOM 0 HA ALA A 7 10.841 11.193 -1.138 1.00 75.13 H new ATOM 0 HB1 ALA A 7 9.583 13.207 -1.835 1.00 1.24 H new ATOM 0 HB2 ALA A 7 8.512 11.802 -1.620 1.00 1.24 H new ATOM 0 HB3 ALA A 7 8.574 13.072 -0.376 1.00 1.24 H new ATOM 94 N VAL A 8 12.363 13.011 -0.405 1.00 75.43 N ATOM 95 CA VAL A 8 13.363 13.933 0.116 1.00 4.55 C ATOM 96 C VAL A 8 13.694 15.019 -0.902 1.00 25.50 C ATOM 97 O VAL A 8 13.771 14.756 -2.102 1.00 65.13 O ATOM 98 CB VAL A 8 14.659 13.196 0.504 1.00 11.00 C ATOM 99 CG1 VAL A 8 15.110 12.280 -0.623 1.00 74.24 C ATOM 100 CG2 VAL A 8 15.752 14.192 0.862 1.00 73.01 C ATOM 0 H VAL A 8 12.602 12.594 -1.305 1.00 75.43 H new ATOM 0 HA VAL A 8 12.935 14.393 1.007 1.00 4.55 H new ATOM 0 HB VAL A 8 14.458 12.581 1.381 1.00 11.00 H new ATOM 0 HG11 VAL A 8 16.027 11.768 -0.331 1.00 74.24 H new ATOM 0 HG12 VAL A 8 14.332 11.544 -0.827 1.00 74.24 H new ATOM 0 HG13 VAL A 8 15.295 12.871 -1.520 1.00 74.24 H new ATOM 0 HG21 VAL A 8 16.660 13.654 1.133 1.00 73.01 H new ATOM 0 HG22 VAL A 8 15.954 14.835 0.005 1.00 73.01 H new ATOM 0 HG23 VAL A 8 15.426 14.802 1.704 1.00 73.01 H new ATOM 110 N VAL A 9 13.890 16.240 -0.415 1.00 22.20 N ATOM 111 CA VAL A 9 14.215 17.366 -1.282 1.00 71.24 C ATOM 112 C VAL A 9 15.512 18.039 -0.847 1.00 72.31 C ATOM 113 O VAL A 9 15.813 18.120 0.344 1.00 50.11 O ATOM 114 CB VAL A 9 13.084 18.412 -1.291 1.00 65.12 C ATOM 115 CG1 VAL A 9 12.797 18.900 0.121 1.00 65.04 C ATOM 116 CG2 VAL A 9 13.443 19.575 -2.204 1.00 15.02 C ATOM 0 H VAL A 9 13.829 16.475 0.576 1.00 22.20 H new ATOM 0 HA VAL A 9 14.337 16.965 -2.288 1.00 71.24 H new ATOM 0 HB VAL A 9 12.180 17.942 -1.677 1.00 65.12 H new ATOM 0 HG11 VAL A 9 11.995 19.638 0.095 1.00 65.04 H new ATOM 0 HG12 VAL A 9 12.494 18.057 0.743 1.00 65.04 H new ATOM 0 HG13 VAL A 9 13.695 19.355 0.539 1.00 65.04 H new ATOM 0 HG21 VAL A 9 12.633 20.305 -2.199 1.00 15.02 H new ATOM 0 HG22 VAL A 9 14.359 20.047 -1.849 1.00 15.02 H new ATOM 0 HG23 VAL A 9 13.594 19.208 -3.219 1.00 15.02 H new ATOM 126 N LYS A 10 16.277 18.521 -1.820 1.00 62.13 N ATOM 127 CA LYS A 10 17.542 19.189 -1.539 1.00 42.44 C ATOM 128 C LYS A 10 17.438 20.687 -1.811 1.00 23.23 C ATOM 129 O LYS A 10 16.963 21.105 -2.867 1.00 44.24 O ATOM 130 CB LYS A 10 18.662 18.583 -2.388 1.00 4.13 C ATOM 131 CG LYS A 10 18.417 18.687 -3.883 1.00 60.31 C ATOM 132 CD LYS A 10 18.778 17.395 -4.598 1.00 51.51 C ATOM 133 CE LYS A 10 20.218 17.413 -5.087 1.00 60.21 C ATOM 134 NZ LYS A 10 21.174 17.031 -4.011 1.00 32.50 N ATOM 0 H LYS A 10 16.043 18.461 -2.811 1.00 62.13 H new ATOM 0 HA LYS A 10 17.775 19.044 -0.484 1.00 42.44 H new ATOM 0 HB2 LYS A 10 19.600 19.083 -2.147 1.00 4.13 H new ATOM 0 HB3 LYS A 10 18.782 17.533 -2.120 1.00 4.13 H new ATOM 0 HG2 LYS A 10 17.369 18.924 -4.065 1.00 60.31 H new ATOM 0 HG3 LYS A 10 19.006 19.508 -4.293 1.00 60.31 H new ATOM 0 HD2 LYS A 10 18.632 16.551 -3.923 1.00 51.51 H new ATOM 0 HD3 LYS A 10 18.107 17.246 -5.444 1.00 51.51 H new ATOM 0 HE2 LYS A 10 20.325 16.727 -5.928 1.00 60.21 H new ATOM 0 HE3 LYS A 10 20.464 18.409 -5.455 1.00 60.21 H new ATOM 0 HZ1 LYS A 10 22.144 17.055 -4.384 1.00 32.50 H new ATOM 0 HZ2 LYS A 10 21.091 17.700 -3.219 1.00 32.50 H new ATOM 0 HZ3 LYS A 10 20.955 16.071 -3.677 1.00 32.50 H new ATOM 148 N LEU A 11 17.886 21.490 -0.852 1.00 22.53 N ATOM 149 CA LEU A 11 17.845 22.941 -0.988 1.00 1.40 C ATOM 150 C LEU A 11 19.232 23.546 -0.795 1.00 62.12 C ATOM 151 O LEU A 11 20.006 23.093 0.049 1.00 54.20 O ATOM 152 CB LEU A 11 16.869 23.541 0.026 1.00 5.11 C ATOM 153 CG LEU A 11 15.461 22.947 0.035 1.00 72.42 C ATOM 154 CD1 LEU A 11 15.390 21.755 0.977 1.00 1.02 C ATOM 155 CD2 LEU A 11 14.439 24.003 0.430 1.00 74.53 C ATOM 0 H LEU A 11 18.282 21.160 0.028 1.00 22.53 H new ATOM 0 HA LEU A 11 17.503 23.177 -1.996 1.00 1.40 H new ATOM 0 HB2 LEU A 11 17.296 23.427 1.022 1.00 5.11 H new ATOM 0 HB3 LEU A 11 16.789 24.611 -0.166 1.00 5.11 H new ATOM 0 HG LEU A 11 15.227 22.602 -0.972 1.00 72.42 H new ATOM 0 HD11 LEU A 11 14.380 21.345 0.970 1.00 1.02 H new ATOM 0 HD12 LEU A 11 16.094 20.990 0.650 1.00 1.02 H new ATOM 0 HD13 LEU A 11 15.645 22.074 1.988 1.00 1.02 H new ATOM 0 HD21 LEU A 11 13.442 23.562 0.431 1.00 74.53 H new ATOM 0 HD22 LEU A 11 14.671 24.379 1.427 1.00 74.53 H new ATOM 0 HD23 LEU A 11 14.471 24.826 -0.284 1.00 74.53 H new ATOM 167 N ARG A 12 19.539 24.572 -1.582 1.00 3.12 N ATOM 168 CA ARG A 12 20.833 25.240 -1.497 1.00 33.41 C ATOM 169 C ARG A 12 20.933 26.070 -0.221 1.00 1.40 C ATOM 170 O ARG A 12 20.018 26.821 0.117 1.00 41.51 O ATOM 171 CB ARG A 12 21.050 26.134 -2.719 1.00 23.31 C ATOM 172 CG ARG A 12 22.511 26.285 -3.110 1.00 42.52 C ATOM 173 CD ARG A 12 22.656 26.775 -4.543 1.00 23.42 C ATOM 174 NE ARG A 12 22.427 28.212 -4.656 1.00 52.41 N ATOM 175 CZ ARG A 12 22.774 28.931 -5.718 1.00 73.54 C ATOM 176 NH1 ARG A 12 23.362 28.347 -6.754 1.00 2.35 N ATOM 177 NH2 ARG A 12 22.531 30.235 -5.747 1.00 64.20 N ATOM 0 H ARG A 12 18.910 24.959 -2.285 1.00 3.12 H new ATOM 0 HA ARG A 12 21.609 24.475 -1.473 1.00 33.41 H new ATOM 0 HB2 ARG A 12 20.497 25.722 -3.563 1.00 23.31 H new ATOM 0 HB3 ARG A 12 20.633 27.120 -2.516 1.00 23.31 H new ATOM 0 HG2 ARG A 12 22.999 26.986 -2.433 1.00 42.52 H new ATOM 0 HG3 ARG A 12 23.020 25.327 -2.998 1.00 42.52 H new ATOM 0 HD2 ARG A 12 23.655 26.537 -4.908 1.00 23.42 H new ATOM 0 HD3 ARG A 12 21.949 26.244 -5.181 1.00 23.42 H new ATOM 0 HE ARG A 12 21.976 28.691 -3.877 1.00 52.41 H new ATOM 0 HH11 ARG A 12 23.548 27.344 -6.736 1.00 2.35 H new ATOM 0 HH12 ARG A 12 23.628 28.901 -7.568 1.00 2.35 H new ATOM 0 HH21 ARG A 12 22.077 30.687 -4.953 1.00 64.20 H new ATOM 0 HH22 ARG A 12 22.798 30.786 -6.563 1.00 64.20 H new ATOM 191 N VAL A 13 22.051 25.930 0.484 1.00 20.33 N ATOM 192 CA VAL A 13 22.272 26.667 1.723 1.00 54.24 C ATOM 193 C VAL A 13 23.051 27.952 1.466 1.00 54.35 C ATOM 194 O VAL A 13 24.071 27.944 0.777 1.00 34.35 O ATOM 195 CB VAL A 13 23.034 25.816 2.755 1.00 61.51 C ATOM 196 CG1 VAL A 13 22.909 26.422 4.144 1.00 22.23 C ATOM 197 CG2 VAL A 13 22.525 24.382 2.742 1.00 24.11 C ATOM 0 H VAL A 13 22.818 25.313 0.218 1.00 20.33 H new ATOM 0 HA VAL A 13 21.289 26.915 2.123 1.00 54.24 H new ATOM 0 HB VAL A 13 24.090 25.806 2.483 1.00 61.51 H new ATOM 0 HG11 VAL A 13 23.454 25.807 4.860 1.00 22.23 H new ATOM 0 HG12 VAL A 13 23.325 27.429 4.140 1.00 22.23 H new ATOM 0 HG13 VAL A 13 21.858 26.465 4.429 1.00 22.23 H new ATOM 0 HG21 VAL A 13 23.074 23.794 3.477 1.00 24.11 H new ATOM 0 HG22 VAL A 13 21.463 24.371 2.988 1.00 24.11 H new ATOM 0 HG23 VAL A 13 22.672 23.953 1.751 1.00 24.11 H new ATOM 207 N GLU A 14 22.562 29.056 2.024 1.00 63.43 N ATOM 208 CA GLU A 14 23.213 30.349 1.854 1.00 4.21 C ATOM 209 C GLU A 14 23.964 30.751 3.120 1.00 25.54 C ATOM 210 O GLU A 14 24.636 31.781 3.157 1.00 61.42 O ATOM 211 CB GLU A 14 22.182 31.422 1.498 1.00 33.34 C ATOM 212 CG GLU A 14 22.740 32.542 0.637 1.00 24.20 C ATOM 213 CD GLU A 14 21.985 33.845 0.812 1.00 32.22 C ATOM 214 OE1 GLU A 14 20.782 33.794 1.144 1.00 21.10 O ATOM 215 OE2 GLU A 14 22.597 34.916 0.618 1.00 62.25 O ATOM 0 H GLU A 14 21.718 29.080 2.597 1.00 63.43 H new ATOM 0 HA GLU A 14 23.931 30.260 1.039 1.00 4.21 H new ATOM 0 HB2 GLU A 14 21.349 30.953 0.974 1.00 33.34 H new ATOM 0 HB3 GLU A 14 21.781 31.848 2.418 1.00 33.34 H new ATOM 0 HG2 GLU A 14 23.789 32.698 0.887 1.00 24.20 H new ATOM 0 HG3 GLU A 14 22.703 32.243 -0.410 1.00 24.20 H new ATOM 222 N GLY A 15 23.845 29.928 4.158 1.00 14.14 N ATOM 223 CA GLY A 15 24.516 30.214 5.413 1.00 43.03 C ATOM 224 C GLY A 15 25.626 29.226 5.714 1.00 11.44 C ATOM 225 O GLY A 15 26.404 29.423 6.647 1.00 31.04 O ATOM 0 H GLY A 15 23.296 29.068 4.152 1.00 14.14 H new ATOM 0 HA2 GLY A 15 24.930 31.222 5.379 1.00 43.03 H new ATOM 0 HA3 GLY A 15 23.788 30.196 6.224 1.00 43.03 H new ATOM 229 N MET A 16 25.698 28.160 4.924 1.00 43.50 N ATOM 230 CA MET A 16 26.721 27.138 5.112 1.00 1.12 C ATOM 231 C MET A 16 28.110 27.765 5.182 1.00 60.14 C ATOM 232 O MET A 16 28.403 28.731 4.477 1.00 52.33 O ATOM 233 CB MET A 16 26.666 26.116 3.975 1.00 2.11 C ATOM 234 CG MET A 16 26.077 24.777 4.389 1.00 4.31 C ATOM 235 SD MET A 16 26.901 23.382 3.599 1.00 64.22 S ATOM 236 CE MET A 16 27.742 22.648 4.999 1.00 24.45 C ATOM 0 H MET A 16 25.061 27.981 4.148 1.00 43.50 H new ATOM 0 HA MET A 16 26.523 26.631 6.056 1.00 1.12 H new ATOM 0 HB2 MET A 16 26.074 26.527 3.157 1.00 2.11 H new ATOM 0 HB3 MET A 16 27.674 25.957 3.591 1.00 2.11 H new ATOM 0 HG2 MET A 16 26.150 24.672 5.471 1.00 4.31 H new ATOM 0 HG3 MET A 16 25.017 24.758 4.137 1.00 4.31 H new ATOM 0 HE1 MET A 16 28.026 21.624 4.757 1.00 24.45 H new ATOM 0 HE2 MET A 16 28.636 23.227 5.231 1.00 24.45 H new ATOM 0 HE3 MET A 16 27.077 22.646 5.863 1.00 24.45 H new ATOM 246 N THR A 17 28.963 27.209 6.036 1.00 3.13 N ATOM 247 CA THR A 17 30.321 27.714 6.199 1.00 54.43 C ATOM 248 C THR A 17 31.299 26.580 6.481 1.00 4.41 C ATOM 249 O THR A 17 30.907 25.416 6.566 1.00 2.15 O ATOM 250 CB THR A 17 30.403 28.745 7.340 1.00 5.14 C ATOM 251 OG1 THR A 17 31.670 29.412 7.308 1.00 63.24 O ATOM 252 CG2 THR A 17 30.214 28.072 8.692 1.00 54.44 C ATOM 0 H THR A 17 28.738 26.408 6.626 1.00 3.13 H new ATOM 0 HA THR A 17 30.593 28.199 5.261 1.00 54.43 H new ATOM 0 HB THR A 17 29.605 29.474 7.199 1.00 5.14 H new ATOM 0 HG1 THR A 17 31.713 30.067 8.036 1.00 63.24 H new ATOM 0 HG21 THR A 17 30.276 28.820 9.483 1.00 54.44 H new ATOM 0 HG22 THR A 17 29.237 27.589 8.725 1.00 54.44 H new ATOM 0 HG23 THR A 17 30.993 27.324 8.838 1.00 54.44 H new ATOM 260 N CYS A 18 32.573 26.927 6.626 1.00 45.33 N ATOM 261 CA CYS A 18 33.609 25.937 6.899 1.00 42.32 C ATOM 262 C CYS A 18 33.219 25.053 8.078 1.00 35.14 C ATOM 263 O CYS A 18 33.560 23.871 8.120 1.00 44.51 O ATOM 264 CB CYS A 18 34.943 26.629 7.184 1.00 12.32 C ATOM 265 SG CYS A 18 36.282 25.498 7.625 1.00 22.43 S ATOM 0 H CYS A 18 32.913 27.886 6.559 1.00 45.33 H new ATOM 0 HA CYS A 18 33.716 25.307 6.016 1.00 42.32 H new ATOM 0 HB2 CYS A 18 35.239 27.200 6.304 1.00 12.32 H new ATOM 0 HB3 CYS A 18 34.803 27.343 7.995 1.00 12.32 H new ATOM 0 HG CYS A 18 35.782 24.356 7.994 1.00 22.43 H new ATOM 271 N GLN A 19 32.502 25.634 9.035 1.00 2.13 N ATOM 272 CA GLN A 19 32.067 24.899 10.217 1.00 65.31 C ATOM 273 C GLN A 19 31.323 23.627 9.823 1.00 2.04 C ATOM 274 O GLN A 19 31.029 23.407 8.649 1.00 73.23 O ATOM 275 CB GLN A 19 31.171 25.779 11.090 1.00 25.32 C ATOM 276 CG GLN A 19 31.910 26.931 11.752 1.00 53.21 C ATOM 277 CD GLN A 19 31.145 27.520 12.921 1.00 73.21 C ATOM 278 OE1 GLN A 19 30.084 28.121 12.745 1.00 65.35 O ATOM 279 NE2 GLN A 19 31.679 27.350 14.124 1.00 24.24 N ATOM 0 H GLN A 19 32.210 26.611 9.015 1.00 2.13 H new ATOM 0 HA GLN A 19 32.953 24.618 10.786 1.00 65.31 H new ATOM 0 HB2 GLN A 19 30.363 26.180 10.478 1.00 25.32 H new ATOM 0 HB3 GLN A 19 30.711 25.162 11.862 1.00 25.32 H new ATOM 0 HG2 GLN A 19 32.883 26.582 12.098 1.00 53.21 H new ATOM 0 HG3 GLN A 19 32.095 27.711 11.014 1.00 53.21 H new ATOM 0 HE21 GLN A 19 32.560 26.846 14.224 1.00 24.24 H new ATOM 0 HE22 GLN A 19 31.209 27.724 14.948 1.00 24.24 H new ATOM 288 N SER A 20 31.022 22.793 10.814 1.00 62.14 N ATOM 289 CA SER A 20 30.316 21.541 10.570 1.00 32.31 C ATOM 290 C SER A 20 28.891 21.607 11.111 1.00 54.04 C ATOM 291 O SER A 20 28.513 20.834 11.992 1.00 54.02 O ATOM 292 CB SER A 20 31.065 20.374 11.217 1.00 72.02 C ATOM 293 OG SER A 20 31.490 20.705 12.528 1.00 70.34 O ATOM 0 H SER A 20 31.256 22.962 11.792 1.00 62.14 H new ATOM 0 HA SER A 20 30.271 21.382 9.493 1.00 32.31 H new ATOM 0 HB2 SER A 20 30.418 19.497 11.251 1.00 72.02 H new ATOM 0 HB3 SER A 20 31.929 20.109 10.607 1.00 72.02 H new ATOM 0 HG SER A 20 31.964 19.943 12.920 1.00 70.34 H new ATOM 299 N CYS A 21 28.105 22.535 10.576 1.00 11.35 N ATOM 300 CA CYS A 21 26.721 22.704 11.005 1.00 51.41 C ATOM 301 C CYS A 21 25.906 21.447 10.720 1.00 21.12 C ATOM 302 O CYS A 21 24.829 21.251 11.283 1.00 10.55 O ATOM 303 CB CYS A 21 26.090 23.906 10.300 1.00 61.04 C ATOM 304 SG CYS A 21 27.028 25.442 10.476 1.00 22.41 S ATOM 0 H CYS A 21 28.402 23.181 9.845 1.00 11.35 H new ATOM 0 HA CYS A 21 26.719 22.880 12.081 1.00 51.41 H new ATOM 0 HB2 CYS A 21 25.984 23.677 9.240 1.00 61.04 H new ATOM 0 HB3 CYS A 21 25.086 24.059 10.695 1.00 61.04 H new ATOM 0 HG CYS A 21 26.219 26.456 10.392 1.00 22.41 H new ATOM 310 N VAL A 22 26.427 20.597 9.841 1.00 71.02 N ATOM 311 CA VAL A 22 25.748 19.358 9.480 1.00 11.14 C ATOM 312 C VAL A 22 25.347 18.570 10.722 1.00 14.01 C ATOM 313 O VAL A 22 24.226 18.070 10.818 1.00 53.45 O ATOM 314 CB VAL A 22 26.635 18.471 8.587 1.00 24.02 C ATOM 315 CG1 VAL A 22 25.892 17.208 8.182 1.00 74.50 C ATOM 316 CG2 VAL A 22 27.098 19.244 7.361 1.00 31.32 C ATOM 0 H VAL A 22 27.317 20.744 9.366 1.00 71.02 H new ATOM 0 HA VAL A 22 24.852 19.638 8.925 1.00 11.14 H new ATOM 0 HB VAL A 22 27.516 18.177 9.157 1.00 24.02 H new ATOM 0 HG11 VAL A 22 26.535 16.594 7.551 1.00 74.50 H new ATOM 0 HG12 VAL A 22 25.616 16.646 9.074 1.00 74.50 H new ATOM 0 HG13 VAL A 22 24.992 17.477 7.629 1.00 74.50 H new ATOM 0 HG21 VAL A 22 27.724 18.602 6.741 1.00 31.32 H new ATOM 0 HG22 VAL A 22 26.230 19.569 6.787 1.00 31.32 H new ATOM 0 HG23 VAL A 22 27.672 20.116 7.676 1.00 31.32 H new ATOM 326 N SER A 23 26.270 18.463 11.672 1.00 31.04 N ATOM 327 CA SER A 23 26.014 17.732 12.908 1.00 12.52 C ATOM 328 C SER A 23 24.870 18.371 13.690 1.00 53.23 C ATOM 329 O SER A 23 24.058 17.677 14.302 1.00 2.21 O ATOM 330 CB SER A 23 27.276 17.691 13.772 1.00 51.11 C ATOM 331 OG SER A 23 27.800 16.377 13.847 1.00 34.51 O ATOM 0 H SER A 23 27.202 18.873 11.610 1.00 31.04 H new ATOM 0 HA SER A 23 25.728 16.713 12.646 1.00 12.52 H new ATOM 0 HB2 SER A 23 28.027 18.362 13.356 1.00 51.11 H new ATOM 0 HB3 SER A 23 27.046 18.052 14.774 1.00 51.11 H new ATOM 0 HG SER A 23 28.607 16.378 14.403 1.00 34.51 H new ATOM 337 N SER A 24 24.812 19.699 13.663 1.00 23.15 N ATOM 338 CA SER A 24 23.771 20.433 14.372 1.00 14.11 C ATOM 339 C SER A 24 22.404 20.181 13.743 1.00 70.33 C ATOM 340 O SER A 24 21.410 19.995 14.445 1.00 12.22 O ATOM 341 CB SER A 24 24.079 21.932 14.365 1.00 32.45 C ATOM 342 OG SER A 24 22.956 22.685 14.789 1.00 51.10 O ATOM 0 H SER A 24 25.474 20.288 13.158 1.00 23.15 H new ATOM 0 HA SER A 24 23.749 20.078 15.402 1.00 14.11 H new ATOM 0 HB2 SER A 24 24.926 22.136 15.020 1.00 32.45 H new ATOM 0 HB3 SER A 24 24.371 22.242 13.362 1.00 32.45 H new ATOM 0 HG SER A 24 23.179 23.639 14.777 1.00 51.10 H new ATOM 348 N ILE A 25 22.363 20.175 12.415 1.00 43.34 N ATOM 349 CA ILE A 25 21.120 19.945 11.690 1.00 71.22 C ATOM 350 C ILE A 25 20.606 18.527 11.916 1.00 24.11 C ATOM 351 O ILE A 25 19.403 18.306 12.044 1.00 32.35 O ATOM 352 CB ILE A 25 21.298 20.179 10.178 1.00 14.31 C ATOM 353 CG1 ILE A 25 21.861 21.578 9.920 1.00 41.14 C ATOM 354 CG2 ILE A 25 19.973 19.994 9.454 1.00 75.11 C ATOM 355 CD1 ILE A 25 22.338 21.784 8.499 1.00 3.30 C ATOM 0 H ILE A 25 23.177 20.327 11.819 1.00 43.34 H new ATOM 0 HA ILE A 25 20.393 20.659 12.077 1.00 71.22 H new ATOM 0 HB ILE A 25 22.006 19.445 9.792 1.00 14.31 H new ATOM 0 HG12 ILE A 25 21.093 22.318 10.148 1.00 41.14 H new ATOM 0 HG13 ILE A 25 22.691 21.759 10.603 1.00 41.14 H new ATOM 0 HG21 ILE A 25 20.115 20.163 8.387 1.00 75.11 H new ATOM 0 HG22 ILE A 25 19.609 18.980 9.616 1.00 75.11 H new ATOM 0 HG23 ILE A 25 19.245 20.707 9.840 1.00 75.11 H new ATOM 0 HD11 ILE A 25 22.724 22.797 8.388 1.00 3.30 H new ATOM 0 HD12 ILE A 25 23.128 21.068 8.273 1.00 3.30 H new ATOM 0 HD13 ILE A 25 21.506 21.635 7.811 1.00 3.30 H new ATOM 367 N GLU A 26 21.528 17.570 11.965 1.00 3.34 N ATOM 368 CA GLU A 26 21.168 16.173 12.178 1.00 50.44 C ATOM 369 C GLU A 26 20.443 15.995 13.508 1.00 31.53 C ATOM 370 O GLU A 26 19.502 15.209 13.615 1.00 64.34 O ATOM 371 CB GLU A 26 22.417 15.290 12.142 1.00 1.31 C ATOM 372 CG GLU A 26 22.333 14.158 11.133 1.00 63.41 C ATOM 373 CD GLU A 26 23.093 12.923 11.577 1.00 33.35 C ATOM 374 OE1 GLU A 26 24.341 12.955 11.560 1.00 72.44 O ATOM 375 OE2 GLU A 26 22.438 11.924 11.944 1.00 51.23 O ATOM 0 H GLU A 26 22.529 17.737 11.860 1.00 3.34 H new ATOM 0 HA GLU A 26 20.496 15.871 11.375 1.00 50.44 H new ATOM 0 HB2 GLU A 26 23.283 15.910 11.909 1.00 1.31 H new ATOM 0 HB3 GLU A 26 22.583 14.870 13.134 1.00 1.31 H new ATOM 0 HG2 GLU A 26 21.287 13.898 10.971 1.00 63.41 H new ATOM 0 HG3 GLU A 26 22.729 14.499 10.176 1.00 63.41 H new ATOM 382 N GLY A 27 20.889 16.730 14.522 1.00 12.23 N ATOM 383 CA GLY A 27 20.272 16.638 15.833 1.00 44.31 C ATOM 384 C GLY A 27 18.822 17.080 15.824 1.00 64.12 C ATOM 385 O GLY A 27 18.004 16.566 16.587 1.00 51.04 O ATOM 0 H GLY A 27 21.666 17.387 14.459 1.00 12.23 H new ATOM 0 HA2 GLY A 27 20.333 15.609 16.188 1.00 44.31 H new ATOM 0 HA3 GLY A 27 20.832 17.252 16.538 1.00 44.31 H new ATOM 389 N LYS A 28 18.502 18.037 14.959 1.00 24.14 N ATOM 390 CA LYS A 28 17.141 18.549 14.853 1.00 4.14 C ATOM 391 C LYS A 28 16.178 17.449 14.419 1.00 23.21 C ATOM 392 O LYS A 28 15.087 17.311 14.972 1.00 2.04 O ATOM 393 CB LYS A 28 17.088 19.711 13.858 1.00 34.45 C ATOM 394 CG LYS A 28 17.720 20.989 14.381 1.00 63.21 C ATOM 395 CD LYS A 28 16.709 21.851 15.118 1.00 61.31 C ATOM 396 CE LYS A 28 17.322 23.169 15.567 1.00 72.44 C ATOM 397 NZ LYS A 28 18.468 22.960 16.494 1.00 64.03 N ATOM 0 H LYS A 28 19.167 18.474 14.321 1.00 24.14 H new ATOM 0 HA LYS A 28 16.836 18.907 15.836 1.00 4.14 H new ATOM 0 HB2 LYS A 28 17.594 19.415 12.939 1.00 34.45 H new ATOM 0 HB3 LYS A 28 16.048 19.909 13.599 1.00 34.45 H new ATOM 0 HG2 LYS A 28 18.544 20.741 15.050 1.00 63.21 H new ATOM 0 HG3 LYS A 28 18.143 21.553 13.550 1.00 63.21 H new ATOM 0 HD2 LYS A 28 15.856 22.048 14.469 1.00 61.31 H new ATOM 0 HD3 LYS A 28 16.332 21.310 15.986 1.00 61.31 H new ATOM 0 HE2 LYS A 28 17.658 23.729 14.694 1.00 72.44 H new ATOM 0 HE3 LYS A 28 16.561 23.774 16.060 1.00 72.44 H new ATOM 0 HZ1 LYS A 28 18.761 23.874 16.896 1.00 64.03 H new ATOM 0 HZ2 LYS A 28 18.181 22.320 17.262 1.00 64.03 H new ATOM 0 HZ3 LYS A 28 19.264 22.540 15.973 1.00 64.03 H new ATOM 411 N VAL A 29 16.589 16.667 13.426 1.00 24.52 N ATOM 412 CA VAL A 29 15.764 15.577 12.920 1.00 60.44 C ATOM 413 C VAL A 29 15.324 14.650 14.048 1.00 41.32 C ATOM 414 O VAL A 29 14.182 14.192 14.078 1.00 20.24 O ATOM 415 CB VAL A 29 16.514 14.752 11.856 1.00 13.42 C ATOM 416 CG1 VAL A 29 15.751 13.476 11.534 1.00 2.22 C ATOM 417 CG2 VAL A 29 16.737 15.581 10.600 1.00 11.12 C ATOM 0 H VAL A 29 17.489 16.768 12.956 1.00 24.52 H new ATOM 0 HA VAL A 29 14.885 16.032 12.464 1.00 60.44 H new ATOM 0 HB VAL A 29 17.488 14.473 12.257 1.00 13.42 H new ATOM 0 HG11 VAL A 29 16.296 12.907 10.781 1.00 2.22 H new ATOM 0 HG12 VAL A 29 15.647 12.876 12.438 1.00 2.22 H new ATOM 0 HG13 VAL A 29 14.762 13.730 11.152 1.00 2.22 H new ATOM 0 HG21 VAL A 29 17.268 14.983 9.859 1.00 11.12 H new ATOM 0 HG22 VAL A 29 15.775 15.892 10.194 1.00 11.12 H new ATOM 0 HG23 VAL A 29 17.329 16.463 10.846 1.00 11.12 H new ATOM 427 N ARG A 30 16.238 14.379 14.974 1.00 40.42 N ATOM 428 CA ARG A 30 15.945 13.507 16.104 1.00 33.24 C ATOM 429 C ARG A 30 14.697 13.979 16.846 1.00 64.40 C ATOM 430 O ARG A 30 14.002 13.186 17.481 1.00 21.52 O ATOM 431 CB ARG A 30 17.135 13.462 17.064 1.00 43.30 C ATOM 432 CG ARG A 30 17.016 12.388 18.133 1.00 1.50 C ATOM 433 CD ARG A 30 18.147 12.482 19.145 1.00 10.23 C ATOM 434 NE ARG A 30 19.341 11.769 18.700 1.00 71.12 N ATOM 435 CZ ARG A 30 19.491 10.453 18.801 1.00 61.15 C ATOM 436 NH1 ARG A 30 18.527 9.711 19.328 1.00 23.30 N ATOM 437 NH2 ARG A 30 20.607 9.877 18.372 1.00 21.45 N ATOM 0 H ARG A 30 17.188 14.751 14.963 1.00 40.42 H new ATOM 0 HA ARG A 30 15.761 12.504 15.718 1.00 33.24 H new ATOM 0 HB2 ARG A 30 18.047 13.293 16.491 1.00 43.30 H new ATOM 0 HB3 ARG A 30 17.238 14.434 17.547 1.00 43.30 H new ATOM 0 HG2 ARG A 30 16.059 12.487 18.645 1.00 1.50 H new ATOM 0 HG3 ARG A 30 17.026 11.404 17.664 1.00 1.50 H new ATOM 0 HD2 ARG A 30 18.394 13.530 19.317 1.00 10.23 H new ATOM 0 HD3 ARG A 30 17.815 12.072 20.099 1.00 10.23 H new ATOM 0 HE ARG A 30 20.101 12.311 18.289 1.00 71.12 H new ATOM 0 HH11 ARG A 30 17.667 10.150 19.657 1.00 23.30 H new ATOM 0 HH12 ARG A 30 18.645 8.701 19.404 1.00 23.30 H new ATOM 0 HH21 ARG A 30 21.350 10.445 17.965 1.00 21.45 H new ATOM 0 HH22 ARG A 30 20.722 8.866 18.450 1.00 21.45 H new ATOM 451 N LYS A 31 14.420 15.275 16.761 1.00 10.22 N ATOM 452 CA LYS A 31 13.257 15.854 17.423 1.00 53.23 C ATOM 453 C LYS A 31 12.067 15.923 16.470 1.00 3.12 C ATOM 454 O LYS A 31 10.920 16.048 16.901 1.00 2.11 O ATOM 455 CB LYS A 31 13.586 17.254 17.946 1.00 21.14 C ATOM 456 CG LYS A 31 14.738 17.277 18.936 1.00 10.52 C ATOM 457 CD LYS A 31 14.284 16.878 20.330 1.00 14.51 C ATOM 458 CE LYS A 31 15.109 17.569 21.405 1.00 41.44 C ATOM 459 NZ LYS A 31 15.175 16.765 22.656 1.00 3.11 N ATOM 0 H LYS A 31 14.985 15.945 16.240 1.00 10.22 H new ATOM 0 HA LYS A 31 12.992 15.212 18.263 1.00 53.23 H new ATOM 0 HB2 LYS A 31 13.830 17.900 17.103 1.00 21.14 H new ATOM 0 HB3 LYS A 31 12.700 17.673 18.423 1.00 21.14 H new ATOM 0 HG2 LYS A 31 15.522 16.598 18.599 1.00 10.52 H new ATOM 0 HG3 LYS A 31 15.173 18.276 18.966 1.00 10.52 H new ATOM 0 HD2 LYS A 31 13.232 17.133 20.458 1.00 14.51 H new ATOM 0 HD3 LYS A 31 14.367 15.797 20.445 1.00 14.51 H new ATOM 0 HE2 LYS A 31 16.118 17.744 21.032 1.00 41.44 H new ATOM 0 HE3 LYS A 31 14.676 18.545 21.623 1.00 41.44 H new ATOM 0 HZ1 LYS A 31 15.746 17.270 23.364 1.00 3.11 H new ATOM 0 HZ2 LYS A 31 14.214 16.620 23.026 1.00 3.11 H new ATOM 0 HZ3 LYS A 31 15.611 15.843 22.453 1.00 3.11 H new ATOM 473 N LEU A 32 12.348 15.840 15.174 1.00 34.33 N ATOM 474 CA LEU A 32 11.300 15.891 14.160 1.00 2.02 C ATOM 475 C LEU A 32 10.587 14.548 14.046 1.00 72.34 C ATOM 476 O LEU A 32 11.220 13.493 14.086 1.00 11.22 O ATOM 477 CB LEU A 32 11.893 16.284 12.806 1.00 61.41 C ATOM 478 CG LEU A 32 11.854 17.773 12.463 1.00 44.23 C ATOM 479 CD1 LEU A 32 10.422 18.233 12.239 1.00 30.52 C ATOM 480 CD2 LEU A 32 12.513 18.591 13.564 1.00 42.43 C ATOM 0 H LEU A 32 13.292 15.737 14.801 1.00 34.33 H new ATOM 0 HA LEU A 32 10.571 16.643 14.463 1.00 2.02 H new ATOM 0 HB2 LEU A 32 12.931 15.952 12.776 1.00 61.41 H new ATOM 0 HB3 LEU A 32 11.361 15.738 12.027 1.00 61.41 H new ATOM 0 HG LEU A 32 12.411 17.928 11.539 1.00 44.23 H new ATOM 0 HD11 LEU A 32 10.415 19.296 11.996 1.00 30.52 H new ATOM 0 HD12 LEU A 32 9.983 17.669 11.415 1.00 30.52 H new ATOM 0 HD13 LEU A 32 9.840 18.064 13.145 1.00 30.52 H new ATOM 0 HD21 LEU A 32 12.476 19.649 13.303 1.00 42.43 H new ATOM 0 HD22 LEU A 32 11.984 18.430 14.503 1.00 42.43 H new ATOM 0 HD23 LEU A 32 13.552 18.281 13.676 1.00 42.43 H new ATOM 492 N GLN A 33 9.267 14.595 13.900 1.00 15.14 N ATOM 493 CA GLN A 33 8.468 13.381 13.778 1.00 11.32 C ATOM 494 C GLN A 33 8.453 12.882 12.337 1.00 24.13 C ATOM 495 O GLN A 33 9.063 11.862 12.017 1.00 52.31 O ATOM 496 CB GLN A 33 7.037 13.636 14.256 1.00 5.45 C ATOM 497 CG GLN A 33 6.163 12.393 14.252 1.00 64.43 C ATOM 498 CD GLN A 33 4.943 12.534 15.139 1.00 34.13 C ATOM 499 OE1 GLN A 33 4.721 13.581 15.748 1.00 52.35 O ATOM 500 NE2 GLN A 33 4.142 11.477 15.218 1.00 3.21 N ATOM 0 H GLN A 33 8.728 15.460 13.863 1.00 15.14 H new ATOM 0 HA GLN A 33 8.922 12.614 14.405 1.00 11.32 H new ATOM 0 HB2 GLN A 33 7.068 14.045 15.266 1.00 5.45 H new ATOM 0 HB3 GLN A 33 6.580 14.393 13.619 1.00 5.45 H new ATOM 0 HG2 GLN A 33 5.843 12.182 13.232 1.00 64.43 H new ATOM 0 HG3 GLN A 33 6.752 11.538 14.584 1.00 64.43 H new ATOM 0 HE21 GLN A 33 4.364 10.629 14.696 1.00 3.21 H new ATOM 0 HE22 GLN A 33 3.305 11.514 15.800 1.00 3.21 H new ATOM 509 N GLY A 34 7.752 13.608 11.471 1.00 24.34 N ATOM 510 CA GLY A 34 7.671 13.222 10.075 1.00 43.13 C ATOM 511 C GLY A 34 9.036 12.987 9.458 1.00 32.40 C ATOM 512 O GLY A 34 9.326 11.892 8.974 1.00 1.34 O ATOM 0 H GLY A 34 7.239 14.456 11.712 1.00 24.34 H new ATOM 0 HA2 GLY A 34 7.074 12.314 9.986 1.00 43.13 H new ATOM 0 HA3 GLY A 34 7.152 14.000 9.516 1.00 43.13 H new ATOM 516 N VAL A 35 9.876 14.016 9.473 1.00 1.50 N ATOM 517 CA VAL A 35 11.218 13.917 8.911 1.00 75.15 C ATOM 518 C VAL A 35 11.915 12.643 9.374 1.00 12.03 C ATOM 519 O VAL A 35 11.862 12.287 10.551 1.00 32.35 O ATOM 520 CB VAL A 35 12.081 15.132 9.299 1.00 54.10 C ATOM 521 CG1 VAL A 35 13.120 14.739 10.338 1.00 34.11 C ATOM 522 CG2 VAL A 35 12.745 15.728 8.067 1.00 4.45 C ATOM 0 H VAL A 35 9.651 14.929 9.869 1.00 1.50 H new ATOM 0 HA VAL A 35 11.106 13.893 7.827 1.00 75.15 H new ATOM 0 HB VAL A 35 11.433 15.891 9.738 1.00 54.10 H new ATOM 0 HG11 VAL A 35 13.720 15.610 10.600 1.00 34.11 H new ATOM 0 HG12 VAL A 35 12.619 14.363 11.230 1.00 34.11 H new ATOM 0 HG13 VAL A 35 13.767 13.962 9.930 1.00 34.11 H new ATOM 0 HG21 VAL A 35 13.351 16.586 8.359 1.00 4.45 H new ATOM 0 HG22 VAL A 35 13.381 14.977 7.597 1.00 4.45 H new ATOM 0 HG23 VAL A 35 11.980 16.049 7.360 1.00 4.45 H new ATOM 532 N VAL A 36 12.569 11.960 8.441 1.00 64.33 N ATOM 533 CA VAL A 36 13.279 10.725 8.753 1.00 5.35 C ATOM 534 C VAL A 36 14.751 10.997 9.047 1.00 34.11 C ATOM 535 O VAL A 36 15.298 10.506 10.035 1.00 52.32 O ATOM 536 CB VAL A 36 13.176 9.711 7.599 1.00 25.43 C ATOM 537 CG1 VAL A 36 13.512 8.310 8.088 1.00 33.21 C ATOM 538 CG2 VAL A 36 11.788 9.750 6.978 1.00 23.34 C ATOM 0 H VAL A 36 12.622 12.241 7.462 1.00 64.33 H new ATOM 0 HA VAL A 36 12.806 10.303 9.640 1.00 5.35 H new ATOM 0 HB VAL A 36 13.900 9.985 6.831 1.00 25.43 H new ATOM 0 HG11 VAL A 36 13.434 7.607 7.259 1.00 33.21 H new ATOM 0 HG12 VAL A 36 14.528 8.296 8.481 1.00 33.21 H new ATOM 0 HG13 VAL A 36 12.815 8.022 8.875 1.00 33.21 H new ATOM 0 HG21 VAL A 36 11.733 9.027 6.164 1.00 23.34 H new ATOM 0 HG22 VAL A 36 11.044 9.502 7.735 1.00 23.34 H new ATOM 0 HG23 VAL A 36 11.591 10.749 6.590 1.00 23.34 H new ATOM 548 N ARG A 37 15.386 11.782 8.183 1.00 34.00 N ATOM 549 CA ARG A 37 16.794 12.119 8.349 1.00 24.32 C ATOM 550 C ARG A 37 17.185 13.285 7.446 1.00 13.23 C ATOM 551 O ARG A 37 16.515 13.565 6.452 1.00 45.13 O ATOM 552 CB ARG A 37 17.671 10.904 8.039 1.00 41.01 C ATOM 553 CG ARG A 37 18.584 10.503 9.186 1.00 31.30 C ATOM 554 CD ARG A 37 19.500 9.354 8.793 1.00 33.15 C ATOM 555 NE ARG A 37 19.070 8.087 9.380 1.00 65.04 N ATOM 556 CZ ARG A 37 19.829 6.997 9.410 1.00 71.23 C ATOM 557 NH1 ARG A 37 21.049 7.019 8.890 1.00 14.22 N ATOM 558 NH2 ARG A 37 19.368 5.881 9.961 1.00 52.32 N ATOM 0 H ARG A 37 14.947 12.197 7.361 1.00 34.00 H new ATOM 0 HA ARG A 37 16.950 12.417 9.386 1.00 24.32 H new ATOM 0 HB2 ARG A 37 17.030 10.060 7.784 1.00 41.01 H new ATOM 0 HB3 ARG A 37 18.279 11.120 7.160 1.00 41.01 H new ATOM 0 HG2 ARG A 37 19.184 11.360 9.492 1.00 31.30 H new ATOM 0 HG3 ARG A 37 17.982 10.212 10.047 1.00 31.30 H new ATOM 0 HD2 ARG A 37 19.521 9.262 7.707 1.00 33.15 H new ATOM 0 HD3 ARG A 37 20.518 9.576 9.114 1.00 33.15 H new ATOM 0 HE ARG A 37 18.137 8.037 9.789 1.00 65.04 H new ATOM 0 HH11 ARG A 37 21.407 7.875 8.465 1.00 14.22 H new ATOM 0 HH12 ARG A 37 21.629 6.180 8.915 1.00 14.22 H new ATOM 0 HH21 ARG A 37 18.430 5.860 10.362 1.00 52.32 H new ATOM 0 HH22 ARG A 37 19.951 5.045 9.984 1.00 52.32 H new ATOM 572 N VAL A 38 18.272 13.963 7.800 1.00 21.14 N ATOM 573 CA VAL A 38 18.752 15.099 7.022 1.00 22.44 C ATOM 574 C VAL A 38 20.218 14.924 6.643 1.00 44.32 C ATOM 575 O VAL A 38 21.073 14.710 7.503 1.00 71.32 O ATOM 576 CB VAL A 38 18.587 16.420 7.797 1.00 25.43 C ATOM 577 CG1 VAL A 38 19.401 16.390 9.082 1.00 35.15 C ATOM 578 CG2 VAL A 38 18.992 17.601 6.928 1.00 32.40 C ATOM 0 H VAL A 38 18.837 13.745 8.621 1.00 21.14 H new ATOM 0 HA VAL A 38 18.148 15.141 6.116 1.00 22.44 H new ATOM 0 HB VAL A 38 17.536 16.537 8.063 1.00 25.43 H new ATOM 0 HG11 VAL A 38 19.272 17.331 9.616 1.00 35.15 H new ATOM 0 HG12 VAL A 38 19.060 15.567 9.710 1.00 35.15 H new ATOM 0 HG13 VAL A 38 20.455 16.250 8.842 1.00 35.15 H new ATOM 0 HG21 VAL A 38 18.869 18.526 7.491 1.00 32.40 H new ATOM 0 HG22 VAL A 38 20.035 17.493 6.630 1.00 32.40 H new ATOM 0 HG23 VAL A 38 18.362 17.631 6.039 1.00 32.40 H new ATOM 588 N LYS A 39 20.504 15.018 5.349 1.00 51.34 N ATOM 589 CA LYS A 39 21.867 14.873 4.853 1.00 44.02 C ATOM 590 C LYS A 39 22.368 16.180 4.245 1.00 34.25 C ATOM 591 O LYS A 39 21.755 16.723 3.326 1.00 44.11 O ATOM 592 CB LYS A 39 21.937 13.755 3.811 1.00 74.54 C ATOM 593 CG LYS A 39 23.351 13.294 3.505 1.00 5.24 C ATOM 594 CD LYS A 39 23.375 11.861 3.000 1.00 10.42 C ATOM 595 CE LYS A 39 23.402 10.865 4.150 1.00 54.55 C ATOM 596 NZ LYS A 39 24.125 9.616 3.784 1.00 12.12 N ATOM 0 H LYS A 39 19.809 15.194 4.624 1.00 51.34 H new ATOM 0 HA LYS A 39 22.507 14.616 5.697 1.00 44.02 H new ATOM 0 HB2 LYS A 39 21.355 12.904 4.165 1.00 74.54 H new ATOM 0 HB3 LYS A 39 21.469 14.100 2.889 1.00 74.54 H new ATOM 0 HG2 LYS A 39 23.795 13.951 2.757 1.00 5.24 H new ATOM 0 HG3 LYS A 39 23.963 13.374 4.403 1.00 5.24 H new ATOM 0 HD2 LYS A 39 22.498 11.678 2.379 1.00 10.42 H new ATOM 0 HD3 LYS A 39 24.250 11.712 2.367 1.00 10.42 H new ATOM 0 HE2 LYS A 39 23.882 11.322 5.015 1.00 54.55 H new ATOM 0 HE3 LYS A 39 22.381 10.621 4.443 1.00 54.55 H new ATOM 0 HZ1 LYS A 39 24.122 8.963 4.593 1.00 12.12 H new ATOM 0 HZ2 LYS A 39 23.653 9.166 2.974 1.00 12.12 H new ATOM 0 HZ3 LYS A 39 25.107 9.845 3.528 1.00 12.12 H new ATOM 610 N VAL A 40 23.485 16.679 4.765 1.00 71.13 N ATOM 611 CA VAL A 40 24.069 17.921 4.272 1.00 72.44 C ATOM 612 C VAL A 40 25.406 17.665 3.585 1.00 33.41 C ATOM 613 O VAL A 40 26.254 16.940 4.105 1.00 34.43 O ATOM 614 CB VAL A 40 24.276 18.935 5.412 1.00 52.11 C ATOM 615 CG1 VAL A 40 24.925 20.206 4.885 1.00 22.32 C ATOM 616 CG2 VAL A 40 22.952 19.246 6.094 1.00 3.42 C ATOM 0 H VAL A 40 24.003 16.242 5.527 1.00 71.13 H new ATOM 0 HA VAL A 40 23.366 18.336 3.550 1.00 72.44 H new ATOM 0 HB VAL A 40 24.945 18.494 6.151 1.00 52.11 H new ATOM 0 HG11 VAL A 40 25.063 20.911 5.705 1.00 22.32 H new ATOM 0 HG12 VAL A 40 25.893 19.965 4.446 1.00 22.32 H new ATOM 0 HG13 VAL A 40 24.284 20.654 4.126 1.00 22.32 H new ATOM 0 HG21 VAL A 40 23.116 19.964 6.897 1.00 3.42 H new ATOM 0 HG22 VAL A 40 22.258 19.668 5.367 1.00 3.42 H new ATOM 0 HG23 VAL A 40 22.532 18.329 6.507 1.00 3.42 H new ATOM 626 N SER A 41 25.588 18.265 2.413 1.00 14.33 N ATOM 627 CA SER A 41 26.821 18.100 1.653 1.00 72.11 C ATOM 628 C SER A 41 27.618 19.400 1.621 1.00 52.42 C ATOM 629 O SER A 41 27.251 20.350 0.927 1.00 4.01 O ATOM 630 CB SER A 41 26.508 17.645 0.226 1.00 32.01 C ATOM 631 OG SER A 41 27.681 17.208 -0.439 1.00 34.14 O ATOM 0 H SER A 41 24.897 18.870 1.969 1.00 14.33 H new ATOM 0 HA SER A 41 27.423 17.337 2.146 1.00 72.11 H new ATOM 0 HB2 SER A 41 25.778 16.836 0.251 1.00 32.01 H new ATOM 0 HB3 SER A 41 26.056 18.466 -0.330 1.00 32.01 H new ATOM 0 HG SER A 41 27.454 16.921 -1.348 1.00 34.14 H new ATOM 637 N LEU A 42 28.710 19.436 2.376 1.00 12.24 N ATOM 638 CA LEU A 42 29.561 20.620 2.436 1.00 74.21 C ATOM 639 C LEU A 42 30.281 20.840 1.109 1.00 33.04 C ATOM 640 O LEU A 42 30.585 21.973 0.738 1.00 44.23 O ATOM 641 CB LEU A 42 30.581 20.482 3.567 1.00 64.13 C ATOM 642 CG LEU A 42 31.806 19.618 3.264 1.00 60.22 C ATOM 643 CD1 LEU A 42 32.882 19.829 4.317 1.00 2.04 C ATOM 644 CD2 LEU A 42 31.416 18.149 3.184 1.00 11.12 C ATOM 0 H LEU A 42 29.028 18.659 2.956 1.00 12.24 H new ATOM 0 HA LEU A 42 28.927 21.485 2.632 1.00 74.21 H new ATOM 0 HB2 LEU A 42 30.924 21.479 3.844 1.00 64.13 H new ATOM 0 HB3 LEU A 42 30.074 20.066 4.438 1.00 64.13 H new ATOM 0 HG LEU A 42 32.209 19.920 2.297 1.00 60.22 H new ATOM 0 HD11 LEU A 42 33.746 19.206 4.085 1.00 2.04 H new ATOM 0 HD12 LEU A 42 33.182 20.877 4.326 1.00 2.04 H new ATOM 0 HD13 LEU A 42 32.491 19.556 5.297 1.00 2.04 H new ATOM 0 HD21 LEU A 42 32.300 17.549 2.968 1.00 11.12 H new ATOM 0 HD22 LEU A 42 30.988 17.834 4.135 1.00 11.12 H new ATOM 0 HD23 LEU A 42 30.681 18.010 2.391 1.00 11.12 H new ATOM 656 N SER A 43 30.548 19.749 0.399 1.00 60.12 N ATOM 657 CA SER A 43 31.234 19.822 -0.886 1.00 54.50 C ATOM 658 C SER A 43 30.329 20.436 -1.950 1.00 73.43 C ATOM 659 O SER A 43 30.801 21.085 -2.882 1.00 54.52 O ATOM 660 CB SER A 43 31.687 18.429 -1.327 1.00 12.23 C ATOM 661 OG SER A 43 32.530 18.503 -2.463 1.00 73.14 O ATOM 0 H SER A 43 30.300 18.804 0.692 1.00 60.12 H new ATOM 0 HA SER A 43 32.110 20.459 -0.767 1.00 54.50 H new ATOM 0 HB2 SER A 43 32.216 17.939 -0.509 1.00 12.23 H new ATOM 0 HB3 SER A 43 30.816 17.815 -1.556 1.00 12.23 H new ATOM 0 HG SER A 43 32.807 17.600 -2.724 1.00 73.14 H new ATOM 667 N ASN A 44 29.025 20.223 -1.803 1.00 50.24 N ATOM 668 CA ASN A 44 28.052 20.754 -2.752 1.00 5.02 C ATOM 669 C ASN A 44 27.391 22.015 -2.204 1.00 35.30 C ATOM 670 O ASN A 44 26.555 22.627 -2.868 1.00 75.42 O ATOM 671 CB ASN A 44 26.988 19.701 -3.066 1.00 31.22 C ATOM 672 CG ASN A 44 26.429 19.844 -4.468 1.00 54.40 C ATOM 673 OD1 ASN A 44 25.637 20.746 -4.743 1.00 74.12 O ATOM 674 ND2 ASN A 44 26.839 18.953 -5.363 1.00 21.03 N ATOM 0 H ASN A 44 28.618 19.687 -1.037 1.00 50.24 H new ATOM 0 HA ASN A 44 28.580 21.012 -3.670 1.00 5.02 H new ATOM 0 HB2 ASN A 44 27.419 18.707 -2.949 1.00 31.22 H new ATOM 0 HB3 ASN A 44 26.176 19.783 -2.344 1.00 31.22 H new ATOM 0 HD21 ASN A 44 26.497 18.999 -6.323 1.00 21.03 H new ATOM 0 HD22 ASN A 44 27.496 18.222 -5.091 1.00 21.03 H new ATOM 681 N GLN A 45 27.771 22.396 -0.989 1.00 44.32 N ATOM 682 CA GLN A 45 27.215 23.584 -0.352 1.00 55.05 C ATOM 683 C GLN A 45 25.690 23.563 -0.399 1.00 63.24 C ATOM 684 O GLN A 45 25.053 24.590 -0.632 1.00 64.52 O ATOM 685 CB GLN A 45 27.740 24.848 -1.035 1.00 1.22 C ATOM 686 CG GLN A 45 29.236 25.056 -0.861 1.00 12.42 C ATOM 687 CD GLN A 45 29.663 26.483 -1.145 1.00 24.12 C ATOM 688 OE1 GLN A 45 29.311 27.055 -2.177 1.00 24.11 O ATOM 689 NE2 GLN A 45 30.427 27.066 -0.228 1.00 13.00 N ATOM 0 H GLN A 45 28.462 21.899 -0.426 1.00 44.32 H new ATOM 0 HA GLN A 45 27.529 23.586 0.692 1.00 55.05 H new ATOM 0 HB2 GLN A 45 27.510 24.798 -2.099 1.00 1.22 H new ATOM 0 HB3 GLN A 45 27.212 25.713 -0.635 1.00 1.22 H new ATOM 0 HG2 GLN A 45 29.520 24.792 0.158 1.00 12.42 H new ATOM 0 HG3 GLN A 45 29.773 24.381 -1.527 1.00 12.42 H new ATOM 0 HE21 GLN A 45 30.695 26.554 0.613 1.00 13.00 H new ATOM 0 HE22 GLN A 45 30.746 28.025 -0.365 1.00 13.00 H new ATOM 698 N GLU A 46 25.113 22.386 -0.177 1.00 55.40 N ATOM 699 CA GLU A 46 23.663 22.233 -0.195 1.00 74.45 C ATOM 700 C GLU A 46 23.182 21.459 1.029 1.00 71.43 C ATOM 701 O GLU A 46 23.979 20.861 1.751 1.00 63.34 O ATOM 702 CB GLU A 46 23.220 21.515 -1.472 1.00 52.03 C ATOM 703 CG GLU A 46 23.237 20.000 -1.356 1.00 40.14 C ATOM 704 CD GLU A 46 23.519 19.317 -2.680 1.00 74.15 C ATOM 705 OE1 GLU A 46 22.892 19.699 -3.691 1.00 25.11 O ATOM 706 OE2 GLU A 46 24.366 18.400 -2.706 1.00 21.24 O ATOM 0 H GLU A 46 25.626 21.526 0.017 1.00 55.40 H new ATOM 0 HA GLU A 46 23.218 23.228 -0.172 1.00 74.45 H new ATOM 0 HB2 GLU A 46 22.212 21.840 -1.730 1.00 52.03 H new ATOM 0 HB3 GLU A 46 23.872 21.815 -2.292 1.00 52.03 H new ATOM 0 HG2 GLU A 46 23.994 19.703 -0.630 1.00 40.14 H new ATOM 0 HG3 GLU A 46 22.276 19.658 -0.972 1.00 40.14 H new ATOM 713 N ALA A 47 21.873 21.476 1.256 1.00 74.44 N ATOM 714 CA ALA A 47 21.285 20.775 2.391 1.00 72.04 C ATOM 715 C ALA A 47 20.108 19.910 1.952 1.00 13.33 C ATOM 716 O ALA A 47 19.160 20.400 1.338 1.00 70.55 O ATOM 717 CB ALA A 47 20.844 21.770 3.454 1.00 22.33 C ATOM 0 H ALA A 47 21.199 21.968 0.669 1.00 74.44 H new ATOM 0 HA ALA A 47 22.045 20.119 2.816 1.00 72.04 H new ATOM 0 HB1 ALA A 47 20.407 21.233 4.296 1.00 22.33 H new ATOM 0 HB2 ALA A 47 21.706 22.342 3.797 1.00 22.33 H new ATOM 0 HB3 ALA A 47 20.103 22.449 3.032 1.00 22.33 H new ATOM 723 N VAL A 48 20.175 18.622 2.272 1.00 74.32 N ATOM 724 CA VAL A 48 19.114 17.689 1.911 1.00 31.41 C ATOM 725 C VAL A 48 18.336 17.238 3.142 1.00 11.45 C ATOM 726 O VAL A 48 18.923 16.834 4.146 1.00 20.24 O ATOM 727 CB VAL A 48 19.678 16.449 1.192 1.00 33.30 C ATOM 728 CG1 VAL A 48 18.555 15.643 0.557 1.00 33.21 C ATOM 729 CG2 VAL A 48 20.706 16.860 0.149 1.00 73.12 C ATOM 0 H VAL A 48 20.952 18.201 2.780 1.00 74.32 H new ATOM 0 HA VAL A 48 18.443 18.219 1.235 1.00 31.41 H new ATOM 0 HB VAL A 48 20.174 15.817 1.929 1.00 33.30 H new ATOM 0 HG11 VAL A 48 18.973 14.771 0.054 1.00 33.21 H new ATOM 0 HG12 VAL A 48 17.859 15.317 1.330 1.00 33.21 H new ATOM 0 HG13 VAL A 48 18.028 16.263 -0.168 1.00 33.21 H new ATOM 0 HG21 VAL A 48 21.094 15.972 -0.349 1.00 73.12 H new ATOM 0 HG22 VAL A 48 20.237 17.513 -0.587 1.00 73.12 H new ATOM 0 HG23 VAL A 48 21.525 17.391 0.635 1.00 73.12 H new ATOM 739 N ILE A 49 17.012 17.311 3.058 1.00 12.11 N ATOM 740 CA ILE A 49 16.153 16.909 4.165 1.00 1.42 C ATOM 741 C ILE A 49 15.169 15.828 3.733 1.00 31.31 C ATOM 742 O ILE A 49 14.277 16.072 2.920 1.00 14.54 O ATOM 743 CB ILE A 49 15.367 18.107 4.731 1.00 72.30 C ATOM 744 CG1 ILE A 49 16.325 19.230 5.133 1.00 72.03 C ATOM 745 CG2 ILE A 49 14.523 17.672 5.920 1.00 2.01 C ATOM 746 CD1 ILE A 49 16.007 20.557 4.480 1.00 45.11 C ATOM 0 H ILE A 49 16.511 17.645 2.235 1.00 12.11 H new ATOM 0 HA ILE A 49 16.805 16.513 4.943 1.00 1.42 H new ATOM 0 HB ILE A 49 14.700 18.485 3.956 1.00 72.30 H new ATOM 0 HG12 ILE A 49 16.297 19.351 6.216 1.00 72.03 H new ATOM 0 HG13 ILE A 49 17.343 18.940 4.871 1.00 72.03 H new ATOM 0 HG21 ILE A 49 13.973 18.529 6.309 1.00 2.01 H new ATOM 0 HG22 ILE A 49 13.819 16.902 5.604 1.00 2.01 H new ATOM 0 HG23 ILE A 49 15.171 17.272 6.700 1.00 2.01 H new ATOM 0 HD11 ILE A 49 16.726 21.307 4.810 1.00 45.11 H new ATOM 0 HD12 ILE A 49 16.064 20.452 3.397 1.00 45.11 H new ATOM 0 HD13 ILE A 49 15.002 20.870 4.762 1.00 45.11 H new ATOM 758 N THR A 50 15.336 14.629 4.284 1.00 50.05 N ATOM 759 CA THR A 50 14.463 13.509 3.956 1.00 14.22 C ATOM 760 C THR A 50 13.247 13.474 4.875 1.00 74.52 C ATOM 761 O THR A 50 13.381 13.442 6.098 1.00 5.23 O ATOM 762 CB THR A 50 15.209 12.166 4.059 1.00 61.20 C ATOM 763 OG1 THR A 50 16.423 12.220 3.301 1.00 53.41 O ATOM 764 CG2 THR A 50 14.340 11.024 3.553 1.00 23.14 C ATOM 0 H THR A 50 16.068 14.409 4.959 1.00 50.05 H new ATOM 0 HA THR A 50 14.134 13.655 2.927 1.00 14.22 H new ATOM 0 HB THR A 50 15.444 11.986 5.108 1.00 61.20 H new ATOM 0 HG1 THR A 50 16.892 11.363 3.373 1.00 53.41 H new ATOM 0 HG21 THR A 50 14.888 10.085 3.636 1.00 23.14 H new ATOM 0 HG22 THR A 50 13.430 10.967 4.151 1.00 23.14 H new ATOM 0 HG23 THR A 50 14.078 11.201 2.510 1.00 23.14 H new ATOM 772 N TYR A 51 12.060 13.478 4.278 1.00 71.20 N ATOM 773 CA TYR A 51 10.819 13.448 5.043 1.00 23.44 C ATOM 774 C TYR A 51 9.815 12.485 4.416 1.00 4.30 C ATOM 775 O TYR A 51 9.996 12.034 3.285 1.00 13.23 O ATOM 776 CB TYR A 51 10.214 14.850 5.129 1.00 71.31 C ATOM 777 CG TYR A 51 9.363 15.216 3.934 1.00 61.33 C ATOM 778 CD1 TYR A 51 9.938 15.442 2.690 1.00 44.34 C ATOM 779 CD2 TYR A 51 7.983 15.334 4.049 1.00 64.03 C ATOM 780 CE1 TYR A 51 9.165 15.778 1.595 1.00 31.33 C ATOM 781 CE2 TYR A 51 7.202 15.668 2.959 1.00 32.55 C ATOM 782 CZ TYR A 51 7.797 15.889 1.735 1.00 22.22 C ATOM 783 OH TYR A 51 7.023 16.221 0.647 1.00 1.42 O ATOM 0 H TYR A 51 11.931 13.502 3.266 1.00 71.20 H new ATOM 0 HA TYR A 51 11.051 13.098 6.049 1.00 23.44 H new ATOM 0 HB2 TYR A 51 9.607 14.920 6.032 1.00 71.31 H new ATOM 0 HB3 TYR A 51 11.019 15.578 5.228 1.00 71.31 H new ATOM 0 HD1 TYR A 51 11.008 15.354 2.577 1.00 44.34 H new ATOM 0 HD2 TYR A 51 7.513 15.162 5.006 1.00 64.03 H new ATOM 0 HE1 TYR A 51 9.629 15.953 0.635 1.00 31.33 H new ATOM 0 HE2 TYR A 51 6.131 15.755 3.065 1.00 32.55 H new ATOM 0 HH TYR A 51 7.597 16.341 -0.138 1.00 1.42 H new ATOM 793 N GLN A 52 8.757 12.177 5.159 1.00 24.21 N ATOM 794 CA GLN A 52 7.724 11.268 4.676 1.00 2.33 C ATOM 795 C GLN A 52 6.403 12.004 4.476 1.00 62.43 C ATOM 796 O GLN A 52 5.980 12.807 5.307 1.00 54.23 O ATOM 797 CB GLN A 52 7.533 10.111 5.658 1.00 4.14 C ATOM 798 CG GLN A 52 6.395 9.176 5.284 1.00 54.55 C ATOM 799 CD GLN A 52 6.881 7.894 4.637 1.00 53.53 C ATOM 800 OE1 GLN A 52 6.619 7.641 3.460 1.00 3.23 O ATOM 801 NE2 GLN A 52 7.593 7.077 5.404 1.00 52.24 N ATOM 0 H GLN A 52 8.593 12.543 6.097 1.00 24.21 H new ATOM 0 HA GLN A 52 8.047 10.869 3.714 1.00 2.33 H new ATOM 0 HB2 GLN A 52 8.459 9.538 5.716 1.00 4.14 H new ATOM 0 HB3 GLN A 52 7.347 10.517 6.652 1.00 4.14 H new ATOM 0 HG2 GLN A 52 5.821 8.932 6.178 1.00 54.55 H new ATOM 0 HG3 GLN A 52 5.718 9.689 4.601 1.00 54.55 H new ATOM 0 HE21 GLN A 52 7.786 7.327 6.374 1.00 52.24 H new ATOM 0 HE22 GLN A 52 7.947 6.199 5.023 1.00 52.24 H new ATOM 810 N PRO A 53 5.735 11.724 3.347 1.00 43.04 N ATOM 811 CA PRO A 53 4.452 12.348 3.011 1.00 43.45 C ATOM 812 C PRO A 53 3.321 11.871 3.914 1.00 32.41 C ATOM 813 O PRO A 53 2.465 12.656 4.322 1.00 51.34 O ATOM 814 CB PRO A 53 4.208 11.903 1.567 1.00 63.44 C ATOM 815 CG PRO A 53 4.972 10.631 1.428 1.00 4.25 C ATOM 816 CD PRO A 53 6.181 10.776 2.311 1.00 10.43 C ATOM 0 HA PRO A 53 4.480 13.430 3.139 1.00 43.45 H new ATOM 0 HB2 PRO A 53 3.146 11.750 1.374 1.00 63.44 H new ATOM 0 HB3 PRO A 53 4.556 12.653 0.857 1.00 63.44 H new ATOM 0 HG2 PRO A 53 4.367 9.777 1.732 1.00 4.25 H new ATOM 0 HG3 PRO A 53 5.264 10.462 0.391 1.00 4.25 H new ATOM 0 HD2 PRO A 53 6.480 9.821 2.742 1.00 10.43 H new ATOM 0 HD3 PRO A 53 7.039 11.159 1.758 1.00 10.43 H new ATOM 824 N TYR A 54 3.323 10.579 4.224 1.00 72.01 N ATOM 825 CA TYR A 54 2.295 9.996 5.078 1.00 12.31 C ATOM 826 C TYR A 54 2.365 10.576 6.488 1.00 54.05 C ATOM 827 O TYR A 54 1.432 10.430 7.279 1.00 61.31 O ATOM 828 CB TYR A 54 2.449 8.475 5.132 1.00 13.40 C ATOM 829 CG TYR A 54 1.758 7.839 6.317 1.00 70.53 C ATOM 830 CD1 TYR A 54 2.400 7.729 7.544 1.00 4.50 C ATOM 831 CD2 TYR A 54 0.464 7.345 6.209 1.00 72.02 C ATOM 832 CE1 TYR A 54 1.774 7.148 8.629 1.00 33.21 C ATOM 833 CE2 TYR A 54 -0.171 6.763 7.289 1.00 52.12 C ATOM 834 CZ TYR A 54 0.488 6.667 8.497 1.00 72.44 C ATOM 835 OH TYR A 54 -0.141 6.086 9.575 1.00 43.45 O ATOM 0 H TYR A 54 4.025 9.916 3.897 1.00 72.01 H new ATOM 0 HA TYR A 54 1.322 10.241 4.651 1.00 12.31 H new ATOM 0 HB2 TYR A 54 2.048 8.045 4.214 1.00 13.40 H new ATOM 0 HB3 TYR A 54 3.510 8.226 5.164 1.00 13.40 H new ATOM 0 HD1 TYR A 54 3.407 8.105 7.651 1.00 4.50 H new ATOM 0 HD2 TYR A 54 -0.054 7.417 5.264 1.00 72.02 H new ATOM 0 HE1 TYR A 54 2.288 7.071 9.576 1.00 33.21 H new ATOM 0 HE2 TYR A 54 -1.178 6.385 7.188 1.00 52.12 H new ATOM 0 HH TYR A 54 -1.042 5.801 9.314 1.00 43.45 H new ATOM 845 N LEU A 55 3.476 11.235 6.794 1.00 3.43 N ATOM 846 CA LEU A 55 3.670 11.839 8.108 1.00 12.31 C ATOM 847 C LEU A 55 3.564 13.359 8.030 1.00 65.12 C ATOM 848 O LEU A 55 2.577 13.946 8.473 1.00 72.04 O ATOM 849 CB LEU A 55 5.032 11.440 8.679 1.00 35.22 C ATOM 850 CG LEU A 55 5.289 9.938 8.812 1.00 2.43 C ATOM 851 CD1 LEU A 55 6.770 9.668 9.028 1.00 42.14 C ATOM 852 CD2 LEU A 55 4.467 9.355 9.953 1.00 45.33 C ATOM 0 H LEU A 55 4.257 11.365 6.151 1.00 3.43 H new ATOM 0 HA LEU A 55 2.884 11.472 8.769 1.00 12.31 H new ATOM 0 HB2 LEU A 55 5.809 11.867 8.045 1.00 35.22 H new ATOM 0 HB3 LEU A 55 5.139 11.895 9.664 1.00 35.22 H new ATOM 0 HG LEU A 55 4.983 9.453 7.885 1.00 2.43 H new ATOM 0 HD11 LEU A 55 6.934 8.594 9.121 1.00 42.14 H new ATOM 0 HD12 LEU A 55 7.337 10.050 8.179 1.00 42.14 H new ATOM 0 HD13 LEU A 55 7.101 10.166 9.939 1.00 42.14 H new ATOM 0 HD21 LEU A 55 4.662 8.286 10.033 1.00 45.33 H new ATOM 0 HD22 LEU A 55 4.742 9.845 10.887 1.00 45.33 H new ATOM 0 HD23 LEU A 55 3.407 9.516 9.757 1.00 45.33 H new ATOM 864 N ILE A 56 4.587 13.989 7.462 1.00 2.22 N ATOM 865 CA ILE A 56 4.608 15.440 7.323 1.00 73.01 C ATOM 866 C ILE A 56 4.703 15.850 5.857 1.00 11.23 C ATOM 867 O ILE A 56 5.230 15.109 5.029 1.00 71.44 O ATOM 868 CB ILE A 56 5.785 16.063 8.096 1.00 14.33 C ATOM 869 CG1 ILE A 56 5.682 17.590 8.082 1.00 74.25 C ATOM 870 CG2 ILE A 56 7.109 15.610 7.500 1.00 1.54 C ATOM 871 CD1 ILE A 56 6.799 18.278 8.834 1.00 41.14 C ATOM 0 H ILE A 56 5.412 13.518 7.091 1.00 2.22 H new ATOM 0 HA ILE A 56 3.673 15.811 7.742 1.00 73.01 H new ATOM 0 HB ILE A 56 5.741 15.725 9.131 1.00 14.33 H new ATOM 0 HG12 ILE A 56 5.683 17.937 7.049 1.00 74.25 H new ATOM 0 HG13 ILE A 56 4.727 17.886 8.516 1.00 74.25 H new ATOM 0 HG21 ILE A 56 7.931 16.059 8.057 1.00 1.54 H new ATOM 0 HG22 ILE A 56 7.181 14.524 7.558 1.00 1.54 H new ATOM 0 HG23 ILE A 56 7.164 15.922 6.457 1.00 1.54 H new ATOM 0 HD11 ILE A 56 6.661 19.358 8.782 1.00 41.14 H new ATOM 0 HD12 ILE A 56 6.785 17.960 9.877 1.00 41.14 H new ATOM 0 HD13 ILE A 56 7.757 18.012 8.386 1.00 41.14 H new ATOM 883 N GLN A 57 4.191 17.037 5.546 1.00 30.41 N ATOM 884 CA GLN A 57 4.220 17.546 4.180 1.00 33.11 C ATOM 885 C GLN A 57 5.516 18.302 3.908 1.00 30.01 C ATOM 886 O GLN A 57 6.278 18.625 4.820 1.00 53.22 O ATOM 887 CB GLN A 57 3.020 18.461 3.929 1.00 34.41 C ATOM 888 CG GLN A 57 1.906 17.799 3.134 1.00 71.41 C ATOM 889 CD GLN A 57 0.895 18.796 2.604 1.00 50.24 C ATOM 890 OE1 GLN A 57 0.855 19.948 3.038 1.00 32.54 O ATOM 891 NE2 GLN A 57 0.071 18.359 1.658 1.00 21.14 N ATOM 0 H GLN A 57 3.752 17.663 6.221 1.00 30.41 H new ATOM 0 HA GLN A 57 4.168 16.695 3.501 1.00 33.11 H new ATOM 0 HB2 GLN A 57 2.622 18.796 4.887 1.00 34.41 H new ATOM 0 HB3 GLN A 57 3.357 19.350 3.396 1.00 34.41 H new ATOM 0 HG2 GLN A 57 2.339 17.248 2.299 1.00 71.41 H new ATOM 0 HG3 GLN A 57 1.396 17.072 3.766 1.00 71.41 H new ATOM 0 HE21 GLN A 57 0.139 17.396 1.327 1.00 21.14 H new ATOM 0 HE22 GLN A 57 -0.629 18.986 1.262 1.00 21.14 H new ATOM 900 N PRO A 58 5.775 18.591 2.624 1.00 14.32 N ATOM 901 CA PRO A 58 6.979 19.313 2.202 1.00 31.14 C ATOM 902 C PRO A 58 6.957 20.776 2.630 1.00 43.52 C ATOM 903 O PRO A 58 7.947 21.297 3.144 1.00 71.51 O ATOM 904 CB PRO A 58 6.943 19.201 0.676 1.00 23.12 C ATOM 905 CG PRO A 58 5.503 19.016 0.344 1.00 70.25 C ATOM 906 CD PRO A 58 4.911 18.237 1.485 1.00 20.34 C ATOM 0 HA PRO A 58 7.881 18.899 2.652 1.00 31.14 H new ATOM 0 HB2 PRO A 58 7.346 20.097 0.204 1.00 23.12 H new ATOM 0 HB3 PRO A 58 7.541 18.359 0.327 1.00 23.12 H new ATOM 0 HG2 PRO A 58 5.003 19.977 0.227 1.00 70.25 H new ATOM 0 HG3 PRO A 58 5.386 18.479 -0.597 1.00 70.25 H new ATOM 0 HD2 PRO A 58 3.873 18.516 1.666 1.00 20.34 H new ATOM 0 HD3 PRO A 58 4.924 17.165 1.289 1.00 20.34 H new ATOM 914 N GLU A 59 5.823 21.435 2.414 1.00 74.40 N ATOM 915 CA GLU A 59 5.674 22.839 2.777 1.00 32.03 C ATOM 916 C GLU A 59 5.836 23.032 4.282 1.00 34.34 C ATOM 917 O GLU A 59 6.337 24.060 4.737 1.00 41.00 O ATOM 918 CB GLU A 59 4.308 23.363 2.329 1.00 71.12 C ATOM 919 CG GLU A 59 4.197 23.566 0.827 1.00 31.51 C ATOM 920 CD GLU A 59 2.760 23.692 0.360 1.00 33.31 C ATOM 921 OE1 GLU A 59 2.001 24.467 0.977 1.00 14.55 O ATOM 922 OE2 GLU A 59 2.395 23.014 -0.624 1.00 14.25 O ATOM 0 H GLU A 59 4.994 21.019 1.989 1.00 74.40 H new ATOM 0 HA GLU A 59 6.456 23.404 2.269 1.00 32.03 H new ATOM 0 HB2 GLU A 59 3.537 22.663 2.651 1.00 71.12 H new ATOM 0 HB3 GLU A 59 4.109 24.310 2.831 1.00 71.12 H new ATOM 0 HG2 GLU A 59 4.747 24.463 0.544 1.00 31.51 H new ATOM 0 HG3 GLU A 59 4.669 22.728 0.315 1.00 31.51 H new ATOM 929 N ASP A 60 5.407 22.036 5.050 1.00 72.43 N ATOM 930 CA ASP A 60 5.504 22.094 6.504 1.00 51.14 C ATOM 931 C ASP A 60 6.960 22.023 6.954 1.00 35.43 C ATOM 932 O ASP A 60 7.376 22.745 7.861 1.00 60.10 O ATOM 933 CB ASP A 60 4.705 20.953 7.136 1.00 53.44 C ATOM 934 CG ASP A 60 3.517 21.452 7.935 1.00 1.11 C ATOM 935 OD1 ASP A 60 3.729 21.978 9.048 1.00 22.42 O ATOM 936 OD2 ASP A 60 2.376 21.318 7.447 1.00 34.34 O ATOM 0 H ASP A 60 4.989 21.178 4.689 1.00 72.43 H new ATOM 0 HA ASP A 60 5.086 23.045 6.834 1.00 51.14 H new ATOM 0 HB2 ASP A 60 4.356 20.280 6.353 1.00 53.44 H new ATOM 0 HB3 ASP A 60 5.359 20.372 7.787 1.00 53.44 H new ATOM 941 N LEU A 61 7.729 21.147 6.317 1.00 55.04 N ATOM 942 CA LEU A 61 9.138 20.980 6.652 1.00 23.03 C ATOM 943 C LEU A 61 9.933 22.236 6.307 1.00 33.44 C ATOM 944 O LEU A 61 10.997 22.484 6.875 1.00 54.32 O ATOM 945 CB LEU A 61 9.720 19.775 5.911 1.00 21.00 C ATOM 946 CG LEU A 61 10.416 20.076 4.583 1.00 31.21 C ATOM 947 CD1 LEU A 61 11.890 20.373 4.808 1.00 23.23 C ATOM 948 CD2 LEU A 61 10.246 18.913 3.616 1.00 32.14 C ATOM 0 H LEU A 61 7.400 20.541 5.565 1.00 55.04 H new ATOM 0 HA LEU A 61 9.212 20.809 7.726 1.00 23.03 H new ATOM 0 HB2 LEU A 61 10.434 19.280 6.569 1.00 21.00 H new ATOM 0 HB3 LEU A 61 8.914 19.065 5.723 1.00 21.00 H new ATOM 0 HG LEU A 61 9.952 20.959 4.144 1.00 31.21 H new ATOM 0 HD11 LEU A 61 12.369 20.585 3.852 1.00 23.23 H new ATOM 0 HD12 LEU A 61 11.991 21.238 5.464 1.00 23.23 H new ATOM 0 HD13 LEU A 61 12.369 19.510 5.270 1.00 23.23 H new ATOM 0 HD21 LEU A 61 10.748 19.145 2.676 1.00 32.14 H new ATOM 0 HD22 LEU A 61 10.683 18.013 4.049 1.00 32.14 H new ATOM 0 HD23 LEU A 61 9.185 18.747 3.430 1.00 32.14 H new ATOM 960 N ARG A 62 9.408 23.024 5.376 1.00 54.54 N ATOM 961 CA ARG A 62 10.067 24.255 4.956 1.00 2.11 C ATOM 962 C ARG A 62 10.376 25.143 6.158 1.00 43.23 C ATOM 963 O ARG A 62 11.455 25.729 6.248 1.00 2.20 O ATOM 964 CB ARG A 62 9.190 25.015 3.959 1.00 20.31 C ATOM 965 CG ARG A 62 9.915 26.145 3.247 1.00 25.15 C ATOM 966 CD ARG A 62 10.523 25.677 1.934 1.00 14.30 C ATOM 967 NE ARG A 62 9.597 25.836 0.816 1.00 74.51 N ATOM 968 CZ ARG A 62 9.401 26.986 0.181 1.00 61.44 C ATOM 969 NH1 ARG A 62 10.064 28.072 0.551 1.00 11.52 N ATOM 970 NH2 ARG A 62 8.541 27.050 -0.828 1.00 43.10 N ATOM 0 H ARG A 62 8.528 22.832 4.898 1.00 54.54 H new ATOM 0 HA ARG A 62 11.006 23.987 4.472 1.00 2.11 H new ATOM 0 HB2 ARG A 62 8.809 24.314 3.216 1.00 20.31 H new ATOM 0 HB3 ARG A 62 8.327 25.423 4.485 1.00 20.31 H new ATOM 0 HG2 ARG A 62 9.219 26.962 3.056 1.00 25.15 H new ATOM 0 HG3 ARG A 62 10.700 26.539 3.893 1.00 25.15 H new ATOM 0 HD2 ARG A 62 11.433 26.242 1.734 1.00 14.30 H new ATOM 0 HD3 ARG A 62 10.811 24.629 2.021 1.00 14.30 H new ATOM 0 HE ARG A 62 9.072 25.019 0.506 1.00 74.51 H new ATOM 0 HH11 ARG A 62 10.727 28.026 1.325 1.00 11.52 H new ATOM 0 HH12 ARG A 62 9.912 28.954 0.062 1.00 11.52 H new ATOM 0 HH21 ARG A 62 8.030 26.216 -1.116 1.00 43.10 H new ATOM 0 HH22 ARG A 62 8.391 27.934 -1.315 1.00 43.10 H new ATOM 984 N ASP A 63 9.422 25.238 7.077 1.00 4.24 N ATOM 985 CA ASP A 63 9.592 26.054 8.274 1.00 44.31 C ATOM 986 C ASP A 63 10.696 25.491 9.164 1.00 71.42 C ATOM 987 O ASP A 63 11.470 26.240 9.760 1.00 23.32 O ATOM 988 CB ASP A 63 8.280 26.132 9.055 1.00 32.42 C ATOM 989 CG ASP A 63 8.335 27.146 10.181 1.00 70.41 C ATOM 990 OD1 ASP A 63 8.901 28.239 9.968 1.00 21.53 O ATOM 991 OD2 ASP A 63 7.811 26.847 11.274 1.00 23.32 O ATOM 0 H ASP A 63 8.523 24.760 7.016 1.00 4.24 H new ATOM 0 HA ASP A 63 9.879 27.058 7.961 1.00 44.31 H new ATOM 0 HB2 ASP A 63 7.470 26.394 8.374 1.00 32.42 H new ATOM 0 HB3 ASP A 63 8.046 25.150 9.466 1.00 32.42 H new ATOM 996 N HIS A 64 10.761 24.166 9.249 1.00 23.34 N ATOM 997 CA HIS A 64 11.770 23.501 10.067 1.00 11.32 C ATOM 998 C HIS A 64 13.175 23.896 9.623 1.00 23.32 C ATOM 999 O HIS A 64 14.071 24.075 10.449 1.00 51.23 O ATOM 1000 CB HIS A 64 11.604 21.984 9.986 1.00 31.41 C ATOM 1001 CG HIS A 64 12.728 21.223 10.620 1.00 40.42 C ATOM 1002 ND1 HIS A 64 13.278 20.089 10.062 1.00 60.33 N ATOM 1003 CD2 HIS A 64 13.407 21.442 11.770 1.00 31.02 C ATOM 1004 CE1 HIS A 64 14.245 19.641 10.842 1.00 3.23 C ATOM 1005 NE2 HIS A 64 14.344 20.445 11.886 1.00 41.03 N ATOM 0 H HIS A 64 10.128 23.532 8.762 1.00 23.34 H new ATOM 0 HA HIS A 64 11.632 23.819 11.100 1.00 11.32 H new ATOM 0 HB2 HIS A 64 10.668 21.703 10.469 1.00 31.41 H new ATOM 0 HB3 HIS A 64 11.523 21.691 8.939 1.00 31.41 H new ATOM 0 HD1 HIS A 64 12.984 19.662 9.183 1.00 60.33 H new ATOM 0 HD2 HIS A 64 13.242 22.251 12.467 1.00 31.02 H new ATOM 0 HE1 HIS A 64 14.852 18.767 10.658 1.00 3.23 H new ATOM 1013 N VAL A 65 13.362 24.028 8.314 1.00 52.13 N ATOM 1014 CA VAL A 65 14.658 24.401 7.760 1.00 52.31 C ATOM 1015 C VAL A 65 15.132 25.736 8.323 1.00 5.04 C ATOM 1016 O VAL A 65 16.304 25.897 8.661 1.00 3.04 O ATOM 1017 CB VAL A 65 14.606 24.495 6.223 1.00 32.44 C ATOM 1018 CG1 VAL A 65 15.986 24.794 5.659 1.00 24.43 C ATOM 1019 CG2 VAL A 65 14.045 23.211 5.631 1.00 64.52 C ATOM 0 H VAL A 65 12.632 23.882 7.617 1.00 52.13 H new ATOM 0 HA VAL A 65 15.361 23.618 8.045 1.00 52.31 H new ATOM 0 HB VAL A 65 13.943 25.315 5.948 1.00 32.44 H new ATOM 0 HG11 VAL A 65 15.929 24.857 4.572 1.00 24.43 H new ATOM 0 HG12 VAL A 65 16.345 25.742 6.059 1.00 24.43 H new ATOM 0 HG13 VAL A 65 16.675 23.998 5.941 1.00 24.43 H new ATOM 0 HG21 VAL A 65 14.015 23.294 4.545 1.00 64.52 H new ATOM 0 HG22 VAL A 65 14.681 22.372 5.913 1.00 64.52 H new ATOM 0 HG23 VAL A 65 13.037 23.046 6.010 1.00 64.52 H new ATOM 1029 N ASN A 66 14.213 26.691 8.422 1.00 22.10 N ATOM 1030 CA ASN A 66 14.538 28.013 8.945 1.00 53.11 C ATOM 1031 C ASN A 66 14.981 27.928 10.402 1.00 14.04 C ATOM 1032 O ASN A 66 15.764 28.753 10.873 1.00 12.11 O ATOM 1033 CB ASN A 66 13.330 28.944 8.821 1.00 51.13 C ATOM 1034 CG ASN A 66 13.438 30.155 9.727 1.00 41.43 C ATOM 1035 OD1 ASN A 66 12.854 30.188 10.810 1.00 51.52 O ATOM 1036 ND2 ASN A 66 14.188 31.159 9.286 1.00 60.33 N ATOM 0 H ASN A 66 13.238 26.574 8.147 1.00 22.10 H new ATOM 0 HA ASN A 66 15.362 28.417 8.357 1.00 53.11 H new ATOM 0 HB2 ASN A 66 13.234 29.275 7.787 1.00 51.13 H new ATOM 0 HB3 ASN A 66 12.422 28.391 9.064 1.00 51.13 H new ATOM 0 HD21 ASN A 66 14.298 32.000 9.852 1.00 60.33 H new ATOM 0 HD22 ASN A 66 14.654 31.088 8.381 1.00 60.33 H new ATOM 1043 N ASP A 67 14.474 26.925 11.111 1.00 24.11 N ATOM 1044 CA ASP A 67 14.819 26.730 12.515 1.00 54.23 C ATOM 1045 C ASP A 67 16.313 26.468 12.677 1.00 53.44 C ATOM 1046 O ASP A 67 16.878 26.684 13.748 1.00 32.44 O ATOM 1047 CB ASP A 67 14.018 25.567 13.102 1.00 72.23 C ATOM 1048 CG ASP A 67 13.806 25.706 14.596 1.00 35.13 C ATOM 1049 OD1 ASP A 67 14.768 26.077 15.301 1.00 60.23 O ATOM 1050 OD2 ASP A 67 12.677 25.445 15.062 1.00 73.34 O ATOM 0 H ASP A 67 13.823 26.235 10.737 1.00 24.11 H new ATOM 0 HA ASP A 67 14.568 27.643 13.055 1.00 54.23 H new ATOM 0 HB2 ASP A 67 13.050 25.509 12.605 1.00 72.23 H new ATOM 0 HB3 ASP A 67 14.538 24.631 12.897 1.00 72.23 H new ATOM 1055 N MET A 68 16.946 26.002 11.605 1.00 20.13 N ATOM 1056 CA MET A 68 18.375 25.711 11.629 1.00 32.11 C ATOM 1057 C MET A 68 19.190 26.997 11.726 1.00 30.42 C ATOM 1058 O MET A 68 20.388 26.964 12.002 1.00 65.33 O ATOM 1059 CB MET A 68 18.779 24.930 10.377 1.00 51.30 C ATOM 1060 CG MET A 68 18.158 23.545 10.298 1.00 64.12 C ATOM 1061 SD MET A 68 18.015 22.944 8.604 1.00 63.30 S ATOM 1062 CE MET A 68 19.625 23.383 7.952 1.00 74.22 C ATOM 0 H MET A 68 16.493 25.818 10.710 1.00 20.13 H new ATOM 0 HA MET A 68 18.582 25.103 12.510 1.00 32.11 H new ATOM 0 HB2 MET A 68 18.490 25.500 9.494 1.00 51.30 H new ATOM 0 HB3 MET A 68 19.865 24.834 10.353 1.00 51.30 H new ATOM 0 HG2 MET A 68 18.762 22.847 10.877 1.00 64.12 H new ATOM 0 HG3 MET A 68 17.169 23.568 10.756 1.00 64.12 H new ATOM 0 HE1 MET A 68 19.934 22.641 7.215 1.00 74.22 H new ATOM 0 HE2 MET A 68 19.571 24.364 7.479 1.00 74.22 H new ATOM 0 HE3 MET A 68 20.351 23.411 8.764 1.00 74.22 H new ATOM 1072 N GLY A 69 18.531 28.129 11.497 1.00 22.34 N ATOM 1073 CA GLY A 69 19.211 29.409 11.563 1.00 3.05 C ATOM 1074 C GLY A 69 19.800 29.822 10.229 1.00 10.32 C ATOM 1075 O GLY A 69 20.279 30.946 10.075 1.00 14.20 O ATOM 0 H GLY A 69 17.539 28.182 11.267 1.00 22.34 H new ATOM 0 HA2 GLY A 69 18.510 30.173 11.899 1.00 3.05 H new ATOM 0 HA3 GLY A 69 20.006 29.357 12.307 1.00 3.05 H new ATOM 1079 N PHE A 70 19.767 28.912 9.262 1.00 33.40 N ATOM 1080 CA PHE A 70 20.304 29.186 7.934 1.00 12.54 C ATOM 1081 C PHE A 70 19.181 29.303 6.907 1.00 25.21 C ATOM 1082 O PHE A 70 18.061 28.853 7.144 1.00 60.42 O ATOM 1083 CB PHE A 70 21.280 28.084 7.518 1.00 53.24 C ATOM 1084 CG PHE A 70 22.229 27.679 8.609 1.00 15.43 C ATOM 1085 CD1 PHE A 70 23.310 28.480 8.937 1.00 5.34 C ATOM 1086 CD2 PHE A 70 22.039 26.497 9.307 1.00 13.52 C ATOM 1087 CE1 PHE A 70 24.185 28.111 9.942 1.00 63.12 C ATOM 1088 CE2 PHE A 70 22.910 26.123 10.313 1.00 52.23 C ATOM 1089 CZ PHE A 70 23.985 26.930 10.630 1.00 41.14 C ATOM 0 H PHE A 70 19.374 27.977 9.373 1.00 33.40 H new ATOM 0 HA PHE A 70 20.836 30.136 7.973 1.00 12.54 H new ATOM 0 HB2 PHE A 70 20.713 27.210 7.198 1.00 53.24 H new ATOM 0 HB3 PHE A 70 21.854 28.425 6.656 1.00 53.24 H new ATOM 0 HD1 PHE A 70 23.472 29.404 8.401 1.00 5.34 H new ATOM 0 HD2 PHE A 70 21.201 25.861 9.062 1.00 13.52 H new ATOM 0 HE1 PHE A 70 25.024 28.745 10.189 1.00 63.12 H new ATOM 0 HE2 PHE A 70 22.750 25.200 10.851 1.00 52.23 H new ATOM 0 HZ PHE A 70 24.668 26.638 11.414 1.00 41.14 H new ATOM 1099 N GLU A 71 19.492 29.911 5.766 1.00 20.44 N ATOM 1100 CA GLU A 71 18.509 30.087 4.704 1.00 44.44 C ATOM 1101 C GLU A 71 18.682 29.026 3.621 1.00 35.42 C ATOM 1102 O GLU A 71 19.770 28.852 3.075 1.00 64.11 O ATOM 1103 CB GLU A 71 18.635 31.483 4.089 1.00 5.01 C ATOM 1104 CG GLU A 71 18.784 32.590 5.119 1.00 52.42 C ATOM 1105 CD GLU A 71 17.676 32.576 6.155 1.00 44.04 C ATOM 1106 OE1 GLU A 71 16.497 32.454 5.762 1.00 65.22 O ATOM 1107 OE2 GLU A 71 17.990 32.687 7.359 1.00 74.15 O ATOM 0 H GLU A 71 20.415 30.289 5.554 1.00 20.44 H new ATOM 0 HA GLU A 71 17.516 29.977 5.141 1.00 44.44 H new ATOM 0 HB2 GLU A 71 19.497 31.501 3.422 1.00 5.01 H new ATOM 0 HB3 GLU A 71 17.755 31.683 3.478 1.00 5.01 H new ATOM 0 HG2 GLU A 71 19.746 32.488 5.620 1.00 52.42 H new ATOM 0 HG3 GLU A 71 18.790 33.555 4.612 1.00 52.42 H new ATOM 1114 N ALA A 72 17.599 28.318 3.318 1.00 75.35 N ATOM 1115 CA ALA A 72 17.628 27.274 2.300 1.00 4.23 C ATOM 1116 C ALA A 72 16.654 27.583 1.169 1.00 61.35 C ATOM 1117 O ALA A 72 15.551 28.076 1.403 1.00 23.24 O ATOM 1118 CB ALA A 72 17.308 25.923 2.921 1.00 24.52 C ATOM 0 H ALA A 72 16.690 28.448 3.763 1.00 75.35 H new ATOM 0 HA ALA A 72 18.633 27.239 1.879 1.00 4.23 H new ATOM 0 HB1 ALA A 72 17.333 25.153 2.150 1.00 24.52 H new ATOM 0 HB2 ALA A 72 18.046 25.692 3.689 1.00 24.52 H new ATOM 0 HB3 ALA A 72 16.315 25.955 3.370 1.00 24.52 H new ATOM 1124 N ALA A 73 17.069 27.290 -0.060 1.00 31.34 N ATOM 1125 CA ALA A 73 16.232 27.535 -1.227 1.00 72.34 C ATOM 1126 C ALA A 73 16.106 26.280 -2.085 1.00 53.34 C ATOM 1127 O ALA A 73 17.072 25.537 -2.260 1.00 34.21 O ATOM 1128 CB ALA A 73 16.796 28.684 -2.049 1.00 41.14 C ATOM 0 H ALA A 73 17.980 26.883 -0.272 1.00 31.34 H new ATOM 0 HA ALA A 73 15.236 27.807 -0.878 1.00 72.34 H new ATOM 0 HB1 ALA A 73 16.161 28.856 -2.918 1.00 41.14 H new ATOM 0 HB2 ALA A 73 16.828 29.587 -1.439 1.00 41.14 H new ATOM 0 HB3 ALA A 73 17.804 28.434 -2.380 1.00 41.14 H new ATOM 1134 N ILE A 74 14.910 26.051 -2.618 1.00 10.05 N ATOM 1135 CA ILE A 74 14.659 24.887 -3.457 1.00 72.54 C ATOM 1136 C ILE A 74 15.544 24.903 -4.699 1.00 54.22 C ATOM 1137 O ILE A 74 15.538 25.866 -5.466 1.00 43.14 O ATOM 1138 CB ILE A 74 13.183 24.814 -3.893 1.00 44.30 C ATOM 1139 CG1 ILE A 74 12.269 24.764 -2.667 1.00 71.54 C ATOM 1140 CG2 ILE A 74 12.953 23.602 -4.783 1.00 53.43 C ATOM 1141 CD1 ILE A 74 10.801 24.913 -3.002 1.00 3.12 C ATOM 0 H ILE A 74 14.100 26.657 -2.483 1.00 10.05 H new ATOM 0 HA ILE A 74 14.896 24.009 -2.856 1.00 72.54 H new ATOM 0 HB ILE A 74 12.943 25.710 -4.465 1.00 44.30 H new ATOM 0 HG12 ILE A 74 12.421 23.817 -2.149 1.00 71.54 H new ATOM 0 HG13 ILE A 74 12.558 25.556 -1.976 1.00 71.54 H new ATOM 0 HG21 ILE A 74 11.906 23.564 -5.083 1.00 53.43 H new ATOM 0 HG22 ILE A 74 13.582 23.677 -5.670 1.00 53.43 H new ATOM 0 HG23 ILE A 74 13.206 22.695 -4.235 1.00 53.43 H new ATOM 0 HD11 ILE A 74 10.212 24.868 -2.086 1.00 3.12 H new ATOM 0 HD12 ILE A 74 10.635 25.872 -3.493 1.00 3.12 H new ATOM 0 HD13 ILE A 74 10.496 24.106 -3.669 1.00 3.12 H new ATOM 1153 N LYS A 75 16.302 23.830 -4.893 1.00 25.23 N ATOM 1154 CA LYS A 75 17.191 23.718 -6.043 1.00 63.21 C ATOM 1155 C LYS A 75 16.409 23.831 -7.348 1.00 24.32 C ATOM 1156 O LYS A 75 16.907 24.370 -8.336 1.00 41.01 O ATOM 1157 CB LYS A 75 17.947 22.387 -6.002 1.00 53.53 C ATOM 1158 CG LYS A 75 17.062 21.178 -6.252 1.00 45.03 C ATOM 1159 CD LYS A 75 17.127 20.731 -7.703 1.00 74.21 C ATOM 1160 CE LYS A 75 18.323 19.825 -7.955 1.00 14.51 C ATOM 1161 NZ LYS A 75 18.314 19.265 -9.335 1.00 15.43 N ATOM 0 H LYS A 75 16.319 23.024 -4.268 1.00 25.23 H new ATOM 0 HA LYS A 75 17.908 24.538 -5.998 1.00 63.21 H new ATOM 0 HB2 LYS A 75 18.741 22.406 -6.749 1.00 53.53 H new ATOM 0 HB3 LYS A 75 18.427 22.281 -5.029 1.00 53.53 H new ATOM 0 HG2 LYS A 75 17.372 20.359 -5.603 1.00 45.03 H new ATOM 0 HG3 LYS A 75 16.032 21.419 -5.990 1.00 45.03 H new ATOM 0 HD2 LYS A 75 16.209 20.204 -7.964 1.00 74.21 H new ATOM 0 HD3 LYS A 75 17.188 21.605 -8.352 1.00 74.21 H new ATOM 0 HE2 LYS A 75 19.244 20.387 -7.797 1.00 14.51 H new ATOM 0 HE3 LYS A 75 18.319 19.009 -7.232 1.00 14.51 H new ATOM 0 HZ1 LYS A 75 19.145 18.653 -9.467 1.00 15.43 H new ATOM 0 HZ2 LYS A 75 17.448 18.708 -9.478 1.00 15.43 H new ATOM 0 HZ3 LYS A 75 18.343 20.042 -10.025 1.00 15.43 H new ATOM 1175 N SER A 76 15.182 23.320 -7.343 1.00 63.22 N ATOM 1176 CA SER A 76 14.332 23.362 -8.527 1.00 65.55 C ATOM 1177 C SER A 76 13.351 24.527 -8.451 1.00 40.11 C ATOM 1178 O SER A 76 12.211 24.422 -8.900 1.00 70.33 O ATOM 1179 CB SER A 76 13.568 22.045 -8.679 1.00 13.20 C ATOM 1180 OG SER A 76 13.191 21.826 -10.027 1.00 42.35 O ATOM 0 H SER A 76 14.754 22.872 -6.532 1.00 63.22 H new ATOM 0 HA SER A 76 14.971 23.505 -9.398 1.00 65.55 H new ATOM 0 HB2 SER A 76 14.189 21.219 -8.333 1.00 13.20 H new ATOM 0 HB3 SER A 76 12.679 22.062 -8.048 1.00 13.20 H new ATOM 0 HG SER A 76 12.650 22.580 -10.342 1.00 42.35 H new TER 1186 SER A 76