USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 630 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 22 THR OG1 : rot 180:sc= -0.0717 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.0415 X(o=-0.11,f=-0.072) USER MOD Single : A 0 GLY N :NH3+ -110:sc= 0.0333 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.6) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -75:sc= 1.1 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.123 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.022 K(o=-0.022,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.115 K(o=-0.12,f=-2.3!) USER MOD Single : A 41 GLN : amide:sc=-0.00607 X(o=-0.0061,f=-0.057) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.531 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= -0.741 USER MOD Single : A 60 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.8!) USER MOD Single : A 62 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 120:sc= 0 USER MOD Single : A 66 THR OG1 : rot 119:sc= 1.46 USER MOD Single : A 68 HIS : no HD1:sc= -0.0764 X(o=-0.076,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 0.485 1.912 1.409 1.00 13.31 N ATOM 2 CA GLY A 0 1.287 1.775 0.208 1.00 63.12 C ATOM 3 C GLY A 0 1.343 3.055 -0.602 1.00 4.34 C ATOM 4 O GLY A 0 0.428 3.876 -0.542 1.00 20.42 O ATOM 0 H1 GLY A 0 1.104 1.889 2.244 1.00 13.31 H new ATOM 0 H2 GLY A 0 -0.028 2.816 1.383 1.00 13.31 H new ATOM 0 H3 GLY A 0 -0.197 1.129 1.462 1.00 13.31 H new ATOM 0 HA2 GLY A 0 2.299 1.478 0.483 1.00 63.12 H new ATOM 0 HA3 GLY A 0 0.877 0.976 -0.409 1.00 63.12 H new ATOM 8 N MET A 1 2.421 3.228 -1.359 1.00 65.33 N ATOM 9 CA MET A 1 2.593 4.418 -2.184 1.00 1.33 C ATOM 10 C MET A 1 3.667 4.195 -3.244 1.00 53.22 C ATOM 11 O MET A 1 4.306 5.142 -3.701 1.00 54.43 O ATOM 12 CB MET A 1 2.963 5.620 -1.312 1.00 22.44 C ATOM 13 CG MET A 1 4.208 5.398 -0.468 1.00 63.24 C ATOM 14 SD MET A 1 4.685 6.864 0.466 1.00 14.42 S ATOM 15 CE MET A 1 6.271 6.349 1.120 1.00 55.01 C ATOM 0 H MET A 1 3.189 2.559 -1.418 1.00 65.33 H new ATOM 0 HA MET A 1 1.647 4.620 -2.687 1.00 1.33 H new ATOM 0 HB2 MET A 1 3.118 6.489 -1.952 1.00 22.44 H new ATOM 0 HB3 MET A 1 2.125 5.853 -0.655 1.00 22.44 H new ATOM 0 HG2 MET A 1 4.032 4.574 0.223 1.00 63.24 H new ATOM 0 HG3 MET A 1 5.033 5.100 -1.116 1.00 63.24 H new ATOM 0 HE1 MET A 1 6.694 7.153 1.723 1.00 55.01 H new ATOM 0 HE2 MET A 1 6.138 5.462 1.740 1.00 55.01 H new ATOM 0 HE3 MET A 1 6.947 6.119 0.296 1.00 55.01 H new ATOM 25 N GLN A 2 3.859 2.938 -3.630 1.00 31.22 N ATOM 26 CA GLN A 2 4.856 2.592 -4.636 1.00 23.13 C ATOM 27 C GLN A 2 4.255 2.636 -6.036 1.00 51.45 C ATOM 28 O GLN A 2 3.088 2.296 -6.232 1.00 53.23 O ATOM 29 CB GLN A 2 5.430 1.201 -4.358 1.00 41.31 C ATOM 30 CG GLN A 2 4.472 0.070 -4.694 1.00 62.31 C ATOM 31 CD GLN A 2 4.850 -0.655 -5.971 1.00 11.01 C ATOM 32 OE1 GLN A 2 5.579 -0.122 -6.808 1.00 70.42 O ATOM 33 NE2 GLN A 2 4.355 -1.877 -6.127 1.00 32.22 N ATOM 0 H GLN A 2 3.338 2.143 -3.262 1.00 31.22 H new ATOM 0 HA GLN A 2 5.659 3.327 -4.582 1.00 23.13 H new ATOM 0 HB2 GLN A 2 6.346 1.073 -4.934 1.00 41.31 H new ATOM 0 HB3 GLN A 2 5.704 1.134 -3.305 1.00 41.31 H new ATOM 0 HG2 GLN A 2 4.453 -0.642 -3.869 1.00 62.31 H new ATOM 0 HG3 GLN A 2 3.463 0.471 -4.793 1.00 62.31 H new ATOM 0 HE21 GLN A 2 3.755 -2.280 -5.407 1.00 32.22 H new ATOM 0 HE22 GLN A 2 4.575 -2.413 -6.966 1.00 32.22 H new ATOM 42 N ILE A 3 5.059 3.058 -7.007 1.00 14.12 N ATOM 43 CA ILE A 3 4.605 3.147 -8.389 1.00 62.53 C ATOM 44 C ILE A 3 5.682 2.659 -9.353 1.00 53.32 C ATOM 45 O ILE A 3 6.866 2.636 -9.018 1.00 21.13 O ATOM 46 CB ILE A 3 4.213 4.588 -8.762 1.00 12.40 C ATOM 47 CG1 ILE A 3 5.428 5.513 -8.661 1.00 72.03 C ATOM 48 CG2 ILE A 3 3.090 5.081 -7.862 1.00 15.11 C ATOM 49 CD1 ILE A 3 5.633 6.093 -7.279 1.00 62.33 C ATOM 0 H ILE A 3 6.027 3.343 -6.862 1.00 14.12 H new ATOM 0 HA ILE A 3 3.726 2.508 -8.474 1.00 62.53 H new ATOM 0 HB ILE A 3 3.858 4.597 -9.792 1.00 12.40 H new ATOM 0 HG12 ILE A 3 6.321 4.959 -8.950 1.00 72.03 H new ATOM 0 HG13 ILE A 3 5.314 6.329 -9.375 1.00 72.03 H new ATOM 0 HG21 ILE A 3 2.824 6.101 -8.138 1.00 15.11 H new ATOM 0 HG22 ILE A 3 2.220 4.435 -7.979 1.00 15.11 H new ATOM 0 HG23 ILE A 3 3.420 5.061 -6.823 1.00 15.11 H new ATOM 0 HD11 ILE A 3 6.512 6.738 -7.282 1.00 62.33 H new ATOM 0 HD12 ILE A 3 4.756 6.675 -6.995 1.00 62.33 H new ATOM 0 HD13 ILE A 3 5.779 5.284 -6.563 1.00 62.33 H new ATOM 61 N PHE A 4 5.262 2.272 -10.553 1.00 44.43 N ATOM 62 CA PHE A 4 6.191 1.786 -11.568 1.00 13.45 C ATOM 63 C PHE A 4 6.014 2.550 -12.877 1.00 21.31 C ATOM 64 O PHE A 4 4.893 2.759 -13.340 1.00 51.22 O ATOM 65 CB PHE A 4 5.982 0.289 -11.805 1.00 2.33 C ATOM 66 CG PHE A 4 5.239 -0.019 -13.073 1.00 44.12 C ATOM 67 CD1 PHE A 4 5.912 -0.109 -14.281 1.00 50.12 C ATOM 68 CD2 PHE A 4 3.868 -0.218 -13.058 1.00 23.23 C ATOM 69 CE1 PHE A 4 5.232 -0.393 -15.450 1.00 55.23 C ATOM 70 CE2 PHE A 4 3.183 -0.503 -14.223 1.00 54.34 C ATOM 71 CZ PHE A 4 3.865 -0.589 -15.421 1.00 53.14 C ATOM 0 H PHE A 4 4.285 2.285 -10.847 1.00 44.43 H new ATOM 0 HA PHE A 4 7.206 1.951 -11.206 1.00 13.45 H new ATOM 0 HB2 PHE A 4 6.953 -0.205 -11.833 1.00 2.33 H new ATOM 0 HB3 PHE A 4 5.435 -0.131 -10.961 1.00 2.33 H new ATOM 0 HD1 PHE A 4 6.981 0.045 -14.309 1.00 50.12 H new ATOM 0 HD2 PHE A 4 3.329 -0.149 -12.125 1.00 23.23 H new ATOM 0 HE1 PHE A 4 5.769 -0.462 -16.385 1.00 55.23 H new ATOM 0 HE2 PHE A 4 2.115 -0.659 -14.197 1.00 54.34 H new ATOM 0 HZ PHE A 4 3.330 -0.809 -16.333 1.00 53.14 H new ATOM 81 N VAL A 5 7.130 2.964 -13.469 1.00 21.22 N ATOM 82 CA VAL A 5 7.100 3.704 -14.725 1.00 21.42 C ATOM 83 C VAL A 5 7.519 2.819 -15.894 1.00 4.23 C ATOM 84 O VAL A 5 8.506 2.087 -15.811 1.00 0.34 O ATOM 85 CB VAL A 5 8.021 4.937 -14.672 1.00 25.30 C ATOM 86 CG1 VAL A 5 9.429 4.534 -14.260 1.00 2.33 C ATOM 87 CG2 VAL A 5 8.034 5.650 -16.016 1.00 31.14 C ATOM 0 H VAL A 5 8.066 2.799 -13.099 1.00 21.22 H new ATOM 0 HA VAL A 5 6.072 4.034 -14.874 1.00 21.42 H new ATOM 0 HB VAL A 5 7.632 5.628 -13.924 1.00 25.30 H new ATOM 0 HG11 VAL A 5 10.066 5.418 -14.228 1.00 2.33 H new ATOM 0 HG12 VAL A 5 9.401 4.071 -13.274 1.00 2.33 H new ATOM 0 HG13 VAL A 5 9.830 3.824 -14.983 1.00 2.33 H new ATOM 0 HG21 VAL A 5 8.690 6.519 -15.961 1.00 31.14 H new ATOM 0 HG22 VAL A 5 8.398 4.969 -16.786 1.00 31.14 H new ATOM 0 HG23 VAL A 5 7.024 5.973 -16.266 1.00 31.14 H new ATOM 97 N LYS A 6 6.764 2.892 -16.984 1.00 75.40 N ATOM 98 CA LYS A 6 7.056 2.099 -18.173 1.00 4.44 C ATOM 99 C LYS A 6 7.710 2.958 -19.251 1.00 22.41 C ATOM 100 O LYS A 6 7.350 4.120 -19.437 1.00 40.54 O ATOM 101 CB LYS A 6 5.774 1.466 -18.718 1.00 1.45 C ATOM 102 CG LYS A 6 5.894 -0.026 -18.975 1.00 10.35 C ATOM 103 CD LYS A 6 6.378 -0.311 -20.386 1.00 71.33 C ATOM 104 CE LYS A 6 7.544 -1.288 -20.389 1.00 31.01 C ATOM 105 NZ LYS A 6 7.094 -2.688 -20.624 1.00 42.03 N ATOM 0 H LYS A 6 5.944 3.493 -17.069 1.00 75.40 H new ATOM 0 HA LYS A 6 7.751 1.308 -17.890 1.00 4.44 H new ATOM 0 HB2 LYS A 6 4.963 1.640 -18.010 1.00 1.45 H new ATOM 0 HB3 LYS A 6 5.499 1.965 -19.647 1.00 1.45 H new ATOM 0 HG2 LYS A 6 6.586 -0.465 -18.256 1.00 10.35 H new ATOM 0 HG3 LYS A 6 4.926 -0.502 -18.818 1.00 10.35 H new ATOM 0 HD2 LYS A 6 5.558 -0.719 -20.977 1.00 71.33 H new ATOM 0 HD3 LYS A 6 6.682 0.621 -20.863 1.00 71.33 H new ATOM 0 HE2 LYS A 6 8.256 -1.001 -21.162 1.00 31.01 H new ATOM 0 HE3 LYS A 6 8.069 -1.230 -19.435 1.00 31.01 H new ATOM 0 HZ1 LYS A 6 7.918 -3.323 -20.619 1.00 42.03 H new ATOM 0 HZ2 LYS A 6 6.434 -2.971 -19.872 1.00 42.03 H new ATOM 0 HZ3 LYS A 6 6.616 -2.749 -21.546 1.00 42.03 H new ATOM 119 N THR A 7 8.673 2.377 -19.961 1.00 32.25 N ATOM 120 CA THR A 7 9.376 3.088 -21.020 1.00 43.04 C ATOM 121 C THR A 7 8.902 2.634 -22.396 1.00 54.30 C ATOM 122 O THR A 7 8.088 1.717 -22.512 1.00 62.40 O ATOM 123 CB THR A 7 10.899 2.880 -20.921 1.00 44.41 C ATOM 124 OG1 THR A 7 11.221 1.501 -21.133 1.00 13.13 O ATOM 125 CG2 THR A 7 11.419 3.325 -19.562 1.00 73.31 C ATOM 0 H THR A 7 8.983 1.415 -19.821 1.00 32.25 H new ATOM 0 HA THR A 7 9.152 4.147 -20.892 1.00 43.04 H new ATOM 0 HB THR A 7 11.377 3.486 -21.691 1.00 44.41 H new ATOM 0 HG1 THR A 7 10.985 0.983 -20.335 1.00 13.13 H new ATOM 0 HG21 THR A 7 12.497 3.169 -19.516 1.00 73.31 H new ATOM 0 HG22 THR A 7 11.199 4.383 -19.417 1.00 73.31 H new ATOM 0 HG23 THR A 7 10.934 2.743 -18.778 1.00 73.31 H new ATOM 133 N LEU A 8 9.414 3.281 -23.437 1.00 4.43 N ATOM 134 CA LEU A 8 9.043 2.944 -24.806 1.00 61.54 C ATOM 135 C LEU A 8 9.991 1.898 -25.385 1.00 40.25 C ATOM 136 O LEU A 8 9.958 1.609 -26.582 1.00 63.21 O ATOM 137 CB LEU A 8 9.052 4.198 -25.682 1.00 61.43 C ATOM 138 CG LEU A 8 7.721 4.941 -25.804 1.00 24.12 C ATOM 139 CD1 LEU A 8 7.901 6.233 -26.585 1.00 42.13 C ATOM 140 CD2 LEU A 8 6.675 4.056 -26.466 1.00 11.42 C ATOM 0 H LEU A 8 10.088 4.043 -23.359 1.00 4.43 H new ATOM 0 HA LEU A 8 8.036 2.527 -24.791 1.00 61.54 H new ATOM 0 HB2 LEU A 8 9.796 4.889 -25.285 1.00 61.43 H new ATOM 0 HB3 LEU A 8 9.381 3.916 -26.682 1.00 61.43 H new ATOM 0 HG LEU A 8 7.373 5.192 -24.802 1.00 24.12 H new ATOM 0 HD11 LEU A 8 6.944 6.748 -26.662 1.00 42.13 H new ATOM 0 HD12 LEU A 8 8.617 6.873 -26.070 1.00 42.13 H new ATOM 0 HD13 LEU A 8 8.272 6.005 -27.584 1.00 42.13 H new ATOM 0 HD21 LEU A 8 5.734 4.601 -26.545 1.00 11.42 H new ATOM 0 HD22 LEU A 8 7.015 3.774 -27.462 1.00 11.42 H new ATOM 0 HD23 LEU A 8 6.525 3.158 -25.866 1.00 11.42 H new ATOM 152 N THR A 9 10.835 1.332 -24.528 1.00 52.10 N ATOM 153 CA THR A 9 11.791 0.318 -24.954 1.00 3.24 C ATOM 154 C THR A 9 11.453 -1.042 -24.355 1.00 23.33 C ATOM 155 O THR A 9 12.200 -2.006 -24.518 1.00 22.12 O ATOM 156 CB THR A 9 13.229 0.699 -24.554 1.00 2.41 C ATOM 157 OG1 THR A 9 13.378 2.124 -24.558 1.00 74.42 O ATOM 158 CG2 THR A 9 14.239 0.076 -25.506 1.00 53.42 C ATOM 0 H THR A 9 10.876 1.559 -23.534 1.00 52.10 H new ATOM 0 HA THR A 9 11.727 0.260 -26.041 1.00 3.24 H new ATOM 0 HB THR A 9 13.416 0.317 -23.550 1.00 2.41 H new ATOM 0 HG1 THR A 9 14.294 2.358 -24.301 1.00 74.42 H new ATOM 0 HG21 THR A 9 15.247 0.359 -25.203 1.00 53.42 H new ATOM 0 HG22 THR A 9 14.143 -1.009 -25.479 1.00 53.42 H new ATOM 0 HG23 THR A 9 14.051 0.431 -26.519 1.00 53.42 H new ATOM 166 N GLY A 10 10.321 -1.114 -23.661 1.00 4.35 N ATOM 167 CA GLY A 10 9.904 -2.362 -23.048 1.00 42.52 C ATOM 168 C GLY A 10 10.535 -2.579 -21.687 1.00 13.41 C ATOM 169 O GLY A 10 10.377 -3.640 -21.083 1.00 41.11 O ATOM 0 H GLY A 10 9.685 -0.330 -23.512 1.00 4.35 H new ATOM 0 HA2 GLY A 10 8.819 -2.369 -22.947 1.00 42.52 H new ATOM 0 HA3 GLY A 10 10.168 -3.191 -23.704 1.00 42.52 H new ATOM 173 N LYS A 11 11.253 -1.571 -21.202 1.00 33.31 N ATOM 174 CA LYS A 11 11.910 -1.656 -19.903 1.00 45.43 C ATOM 175 C LYS A 11 11.009 -1.110 -18.800 1.00 60.23 C ATOM 176 O LYS A 11 10.546 0.029 -18.868 1.00 70.15 O ATOM 177 CB LYS A 11 13.231 -0.882 -19.926 1.00 71.43 C ATOM 178 CG LYS A 11 14.381 -1.660 -20.543 1.00 34.32 C ATOM 179 CD LYS A 11 15.500 -1.889 -19.541 1.00 10.30 C ATOM 180 CE LYS A 11 16.537 -0.778 -19.601 1.00 41.21 C ATOM 181 NZ LYS A 11 17.904 -1.278 -19.286 1.00 1.50 N ATOM 0 H LYS A 11 11.394 -0.686 -21.689 1.00 33.31 H new ATOM 0 HA LYS A 11 12.113 -2.706 -19.695 1.00 45.43 H new ATOM 0 HB2 LYS A 11 13.090 0.044 -20.483 1.00 71.43 H new ATOM 0 HB3 LYS A 11 13.497 -0.604 -18.906 1.00 71.43 H new ATOM 0 HG2 LYS A 11 14.017 -2.620 -20.909 1.00 34.32 H new ATOM 0 HG3 LYS A 11 14.768 -1.116 -21.405 1.00 34.32 H new ATOM 0 HD2 LYS A 11 15.083 -1.946 -18.535 1.00 10.30 H new ATOM 0 HD3 LYS A 11 15.979 -2.847 -19.742 1.00 10.30 H new ATOM 0 HE2 LYS A 11 16.534 -0.331 -20.595 1.00 41.21 H new ATOM 0 HE3 LYS A 11 16.267 0.009 -18.897 1.00 41.21 H new ATOM 0 HZ1 LYS A 11 18.582 -0.491 -19.337 1.00 1.50 H new ATOM 0 HZ2 LYS A 11 17.914 -1.681 -18.327 1.00 1.50 H new ATOM 0 HZ3 LYS A 11 18.172 -2.011 -19.973 1.00 1.50 H new ATOM 195 N THR A 12 10.764 -1.930 -17.783 1.00 22.03 N ATOM 196 CA THR A 12 9.919 -1.530 -16.665 1.00 53.31 C ATOM 197 C THR A 12 10.758 -1.098 -15.468 1.00 31.11 C ATOM 198 O THR A 12 11.583 -1.864 -14.968 1.00 52.32 O ATOM 199 CB THR A 12 8.979 -2.672 -16.234 1.00 43.21 C ATOM 200 OG1 THR A 12 8.094 -3.009 -17.308 1.00 35.05 O ATOM 201 CG2 THR A 12 8.171 -2.274 -15.009 1.00 33.15 C ATOM 0 H THR A 12 11.139 -2.876 -17.711 1.00 22.03 H new ATOM 0 HA THR A 12 9.320 -0.687 -17.008 1.00 53.31 H new ATOM 0 HB THR A 12 9.588 -3.539 -15.981 1.00 43.21 H new ATOM 0 HG1 THR A 12 7.501 -3.737 -17.027 1.00 35.05 H new ATOM 0 HG21 THR A 12 7.515 -3.096 -14.723 1.00 33.15 H new ATOM 0 HG22 THR A 12 8.847 -2.047 -14.185 1.00 33.15 H new ATOM 0 HG23 THR A 12 7.571 -1.394 -15.239 1.00 33.15 H new ATOM 209 N ILE A 13 10.542 0.131 -15.012 1.00 52.13 N ATOM 210 CA ILE A 13 11.278 0.663 -13.872 1.00 51.12 C ATOM 211 C ILE A 13 10.340 0.982 -12.713 1.00 22.13 C ATOM 212 O ILE A 13 9.177 1.331 -12.917 1.00 42.55 O ATOM 213 CB ILE A 13 12.059 1.935 -14.250 1.00 44.24 C ATOM 214 CG1 ILE A 13 12.873 1.700 -15.525 1.00 11.22 C ATOM 215 CG2 ILE A 13 12.968 2.359 -13.106 1.00 30.40 C ATOM 216 CD1 ILE A 13 13.885 0.583 -15.398 1.00 43.51 C ATOM 0 H ILE A 13 9.863 0.777 -15.415 1.00 52.13 H new ATOM 0 HA ILE A 13 11.984 -0.109 -13.564 1.00 51.12 H new ATOM 0 HB ILE A 13 11.346 2.738 -14.438 1.00 44.24 H new ATOM 0 HG12 ILE A 13 12.192 1.471 -16.344 1.00 11.22 H new ATOM 0 HG13 ILE A 13 13.392 2.621 -15.790 1.00 11.22 H new ATOM 0 HG21 ILE A 13 13.513 3.260 -13.389 1.00 30.40 H new ATOM 0 HG22 ILE A 13 12.367 2.562 -12.220 1.00 30.40 H new ATOM 0 HG23 ILE A 13 13.676 1.559 -12.889 1.00 30.40 H new ATOM 0 HD11 ILE A 13 14.425 0.473 -16.338 1.00 43.51 H new ATOM 0 HD12 ILE A 13 14.590 0.819 -14.601 1.00 43.51 H new ATOM 0 HD13 ILE A 13 13.371 -0.349 -15.163 1.00 43.51 H new ATOM 228 N THR A 14 10.854 0.861 -11.493 1.00 21.15 N ATOM 229 CA THR A 14 10.064 1.136 -10.299 1.00 53.45 C ATOM 230 C THR A 14 10.681 2.263 -9.479 1.00 51.43 C ATOM 231 O THR A 14 11.899 2.324 -9.306 1.00 31.45 O ATOM 232 CB THR A 14 9.931 -0.116 -9.412 1.00 54.41 C ATOM 233 OG1 THR A 14 11.224 -0.675 -9.157 1.00 71.01 O ATOM 234 CG2 THR A 14 9.044 -1.158 -10.076 1.00 53.24 C ATOM 0 H THR A 14 11.815 0.574 -11.306 1.00 21.15 H new ATOM 0 HA THR A 14 9.073 1.438 -10.639 1.00 53.45 H new ATOM 0 HB THR A 14 9.472 0.181 -8.469 1.00 54.41 H new ATOM 0 HG1 THR A 14 11.131 -1.470 -8.591 1.00 71.01 H new ATOM 0 HG21 THR A 14 8.965 -2.033 -9.431 1.00 53.24 H new ATOM 0 HG22 THR A 14 8.052 -0.739 -10.242 1.00 53.24 H new ATOM 0 HG23 THR A 14 9.479 -1.450 -11.032 1.00 53.24 H new ATOM 242 N LEU A 15 9.834 3.155 -8.976 1.00 61.31 N ATOM 243 CA LEU A 15 10.297 4.281 -8.173 1.00 33.15 C ATOM 244 C LEU A 15 9.307 4.596 -7.055 1.00 61.34 C ATOM 245 O LEU A 15 8.220 4.022 -6.997 1.00 22.01 O ATOM 246 CB LEU A 15 10.497 5.514 -9.055 1.00 14.41 C ATOM 247 CG LEU A 15 11.931 5.790 -9.509 1.00 33.14 C ATOM 248 CD1 LEU A 15 11.942 6.402 -10.901 1.00 12.35 C ATOM 249 CD2 LEU A 15 12.638 6.702 -8.517 1.00 31.02 C ATOM 0 H LEU A 15 8.823 3.120 -9.110 1.00 61.31 H new ATOM 0 HA LEU A 15 11.251 4.006 -7.722 1.00 33.15 H new ATOM 0 HB2 LEU A 15 9.871 5.407 -9.941 1.00 14.41 H new ATOM 0 HB3 LEU A 15 10.135 6.387 -8.512 1.00 14.41 H new ATOM 0 HG LEU A 15 12.468 4.842 -9.547 1.00 33.14 H new ATOM 0 HD11 LEU A 15 12.971 6.591 -11.207 1.00 12.35 H new ATOM 0 HD12 LEU A 15 11.475 5.713 -11.605 1.00 12.35 H new ATOM 0 HD13 LEU A 15 11.388 7.341 -10.890 1.00 12.35 H new ATOM 0 HD21 LEU A 15 13.657 6.888 -8.856 1.00 31.02 H new ATOM 0 HD22 LEU A 15 12.101 7.648 -8.446 1.00 31.02 H new ATOM 0 HD23 LEU A 15 12.663 6.224 -7.537 1.00 31.02 H new ATOM 261 N GLU A 16 9.691 5.512 -6.172 1.00 40.44 N ATOM 262 CA GLU A 16 8.836 5.904 -5.058 1.00 51.11 C ATOM 263 C GLU A 16 8.753 7.424 -4.944 1.00 32.51 C ATOM 264 O GLU A 16 9.748 8.126 -5.123 1.00 53.21 O ATOM 265 CB GLU A 16 9.363 5.311 -3.749 1.00 54.44 C ATOM 266 CG GLU A 16 8.861 3.904 -3.473 1.00 52.02 C ATOM 267 CD GLU A 16 9.142 3.453 -2.053 1.00 61.42 C ATOM 268 OE1 GLU A 16 8.331 3.771 -1.159 1.00 32.25 O ATOM 269 OE2 GLU A 16 10.173 2.782 -1.836 1.00 73.24 O ATOM 0 H GLU A 16 10.588 5.996 -6.206 1.00 40.44 H new ATOM 0 HA GLU A 16 7.835 5.516 -5.247 1.00 51.11 H new ATOM 0 HB2 GLU A 16 10.453 5.300 -3.778 1.00 54.44 H new ATOM 0 HB3 GLU A 16 9.072 5.960 -2.923 1.00 54.44 H new ATOM 0 HG2 GLU A 16 7.788 3.862 -3.658 1.00 52.02 H new ATOM 0 HG3 GLU A 16 9.332 3.211 -4.170 1.00 52.02 H new ATOM 276 N VAL A 17 7.558 7.924 -4.645 1.00 2.20 N ATOM 277 CA VAL A 17 7.344 9.360 -4.506 1.00 72.42 C ATOM 278 C VAL A 17 6.206 9.654 -3.536 1.00 34.03 C ATOM 279 O VAL A 17 5.610 8.740 -2.967 1.00 25.53 O ATOM 280 CB VAL A 17 7.028 10.014 -5.864 1.00 71.24 C ATOM 281 CG1 VAL A 17 8.221 9.902 -6.801 1.00 51.24 C ATOM 282 CG2 VAL A 17 5.791 9.382 -6.485 1.00 21.32 C ATOM 0 H VAL A 17 6.724 7.356 -4.494 1.00 2.20 H new ATOM 0 HA VAL A 17 8.270 9.782 -4.114 1.00 72.42 H new ATOM 0 HB VAL A 17 6.824 11.072 -5.699 1.00 71.24 H new ATOM 0 HG11 VAL A 17 7.979 10.370 -7.755 1.00 51.24 H new ATOM 0 HG12 VAL A 17 9.080 10.405 -6.358 1.00 51.24 H new ATOM 0 HG13 VAL A 17 8.460 8.851 -6.962 1.00 51.24 H new ATOM 0 HG21 VAL A 17 5.583 9.856 -7.444 1.00 21.32 H new ATOM 0 HG22 VAL A 17 5.964 8.317 -6.637 1.00 21.32 H new ATOM 0 HG23 VAL A 17 4.939 9.520 -5.819 1.00 21.32 H new ATOM 292 N GLU A 18 5.908 10.937 -3.352 1.00 63.42 N ATOM 293 CA GLU A 18 4.841 11.351 -2.449 1.00 50.12 C ATOM 294 C GLU A 18 3.835 12.244 -3.170 1.00 34.50 C ATOM 295 O GLU A 18 4.099 12.776 -4.248 1.00 62.11 O ATOM 296 CB GLU A 18 5.422 12.091 -1.242 1.00 62.43 C ATOM 297 CG GLU A 18 5.486 11.244 0.018 1.00 72.44 C ATOM 298 CD GLU A 18 4.977 11.980 1.242 1.00 61.22 C ATOM 299 OE1 GLU A 18 5.730 12.810 1.791 1.00 44.41 O ATOM 300 OE2 GLU A 18 3.825 11.725 1.650 1.00 34.12 O ATOM 0 H GLU A 18 6.390 11.707 -3.816 1.00 63.42 H new ATOM 0 HA GLU A 18 4.325 10.456 -2.103 1.00 50.12 H new ATOM 0 HB2 GLU A 18 6.426 12.438 -1.488 1.00 62.43 H new ATOM 0 HB3 GLU A 18 4.818 12.977 -1.044 1.00 62.43 H new ATOM 0 HG2 GLU A 18 4.898 10.338 -0.127 1.00 72.44 H new ATOM 0 HG3 GLU A 18 6.516 10.931 0.189 1.00 72.44 H new ATOM 307 N PRO A 19 2.651 12.411 -2.561 1.00 40.15 N ATOM 308 CA PRO A 19 1.581 13.238 -3.126 1.00 55.05 C ATOM 309 C PRO A 19 1.918 14.725 -3.094 1.00 62.34 C ATOM 310 O PRO A 19 1.468 15.492 -3.945 1.00 73.32 O ATOM 311 CB PRO A 19 0.386 12.941 -2.217 1.00 54.30 C ATOM 312 CG PRO A 19 0.990 12.519 -0.923 1.00 3.14 C ATOM 313 CD PRO A 19 2.267 11.807 -1.275 1.00 31.32 C ATOM 0 HA PRO A 19 1.402 13.010 -4.177 1.00 55.05 H new ATOM 0 HB2 PRO A 19 -0.244 13.821 -2.091 1.00 54.30 H new ATOM 0 HB3 PRO A 19 -0.244 12.155 -2.635 1.00 54.30 H new ATOM 0 HG2 PRO A 19 1.187 13.380 -0.285 1.00 3.14 H new ATOM 0 HG3 PRO A 19 0.316 11.862 -0.373 1.00 3.14 H new ATOM 0 HD2 PRO A 19 3.034 11.958 -0.515 1.00 31.32 H new ATOM 0 HD3 PRO A 19 2.116 10.731 -1.366 1.00 31.32 H new ATOM 321 N SER A 20 2.714 15.125 -2.108 1.00 31.01 N ATOM 322 CA SER A 20 3.109 16.521 -1.963 1.00 42.13 C ATOM 323 C SER A 20 4.285 16.850 -2.878 1.00 40.31 C ATOM 324 O SER A 20 4.750 17.989 -2.924 1.00 3.32 O ATOM 325 CB SER A 20 3.480 16.820 -0.510 1.00 1.35 C ATOM 326 OG SER A 20 3.644 15.624 0.232 1.00 71.44 O ATOM 0 H SER A 20 3.098 14.502 -1.398 1.00 31.01 H new ATOM 0 HA SER A 20 2.262 17.144 -2.250 1.00 42.13 H new ATOM 0 HB2 SER A 20 4.402 17.400 -0.479 1.00 1.35 H new ATOM 0 HB3 SER A 20 2.703 17.432 -0.052 1.00 1.35 H new ATOM 0 HG SER A 20 3.883 15.843 1.157 1.00 71.44 H new ATOM 332 N ASP A 21 4.760 15.845 -3.605 1.00 4.03 N ATOM 333 CA ASP A 21 5.881 16.026 -4.520 1.00 2.20 C ATOM 334 C ASP A 21 5.423 16.689 -5.815 1.00 62.14 C ATOM 335 O ASP A 21 4.355 16.377 -6.342 1.00 35.41 O ATOM 336 CB ASP A 21 6.540 14.680 -4.826 1.00 51.33 C ATOM 337 CG ASP A 21 7.127 14.028 -3.590 1.00 14.22 C ATOM 338 OD1 ASP A 21 6.962 14.591 -2.487 1.00 45.20 O ATOM 339 OD2 ASP A 21 7.749 12.954 -3.725 1.00 2.33 O ATOM 0 H ASP A 21 4.386 14.896 -3.579 1.00 4.03 H new ATOM 0 HA ASP A 21 6.610 16.677 -4.038 1.00 2.20 H new ATOM 0 HB2 ASP A 21 5.803 14.011 -5.271 1.00 51.33 H new ATOM 0 HB3 ASP A 21 7.327 14.824 -5.566 1.00 51.33 H new ATOM 344 N THR A 22 6.238 17.607 -6.325 1.00 4.30 N ATOM 345 CA THR A 22 5.917 18.316 -7.557 1.00 74.22 C ATOM 346 C THR A 22 6.733 17.781 -8.728 1.00 73.13 C ATOM 347 O THR A 22 7.860 17.319 -8.551 1.00 62.52 O ATOM 348 CB THR A 22 6.170 19.829 -7.418 1.00 23.31 C ATOM 349 OG1 THR A 22 6.584 20.135 -6.082 1.00 12.23 O ATOM 350 CG2 THR A 22 4.918 20.621 -7.761 1.00 41.30 C ATOM 0 H THR A 22 7.126 17.877 -5.903 1.00 4.30 H new ATOM 0 HA THR A 22 4.857 18.149 -7.750 1.00 74.22 H new ATOM 0 HB THR A 22 6.959 20.109 -8.116 1.00 23.31 H new ATOM 0 HG1 THR A 22 6.745 21.098 -6.002 1.00 12.23 H new ATOM 0 HG21 THR A 22 5.121 21.687 -7.656 1.00 41.30 H new ATOM 0 HG22 THR A 22 4.623 20.408 -8.788 1.00 41.30 H new ATOM 0 HG23 THR A 22 4.111 20.337 -7.085 1.00 41.30 H new ATOM 358 N ILE A 23 6.157 17.847 -9.924 1.00 11.31 N ATOM 359 CA ILE A 23 6.833 17.371 -11.124 1.00 72.22 C ATOM 360 C ILE A 23 8.098 18.176 -11.399 1.00 4.12 C ATOM 361 O ILE A 23 9.103 17.633 -11.856 1.00 44.44 O ATOM 362 CB ILE A 23 5.912 17.447 -12.356 1.00 61.25 C ATOM 363 CG1 ILE A 23 4.608 16.691 -12.093 1.00 51.30 C ATOM 364 CG2 ILE A 23 6.618 16.884 -13.581 1.00 4.21 C ATOM 365 CD1 ILE A 23 4.814 15.234 -11.743 1.00 12.22 C ATOM 0 H ILE A 23 5.224 18.225 -10.087 1.00 11.31 H new ATOM 0 HA ILE A 23 7.100 16.330 -10.943 1.00 72.22 H new ATOM 0 HB ILE A 23 5.672 18.493 -12.547 1.00 61.25 H new ATOM 0 HG12 ILE A 23 4.072 17.179 -11.279 1.00 51.30 H new ATOM 0 HG13 ILE A 23 3.974 16.758 -12.977 1.00 51.30 H new ATOM 0 HG21 ILE A 23 5.954 16.945 -14.443 1.00 4.21 H new ATOM 0 HG22 ILE A 23 7.522 17.461 -13.777 1.00 4.21 H new ATOM 0 HG23 ILE A 23 6.884 15.843 -13.401 1.00 4.21 H new ATOM 0 HD11 ILE A 23 3.847 14.761 -11.570 1.00 12.22 H new ATOM 0 HD12 ILE A 23 5.322 14.731 -12.566 1.00 12.22 H new ATOM 0 HD13 ILE A 23 5.421 15.159 -10.841 1.00 12.22 H new ATOM 377 N GLU A 24 8.041 19.473 -11.114 1.00 42.43 N ATOM 378 CA GLU A 24 9.184 20.353 -11.330 1.00 51.11 C ATOM 379 C GLU A 24 10.246 20.138 -10.256 1.00 4.40 C ATOM 380 O GLU A 24 11.434 20.354 -10.491 1.00 44.24 O ATOM 381 CB GLU A 24 8.736 21.816 -11.334 1.00 52.24 C ATOM 382 CG GLU A 24 9.887 22.805 -11.414 1.00 13.01 C ATOM 383 CD GLU A 24 10.261 23.375 -10.059 1.00 61.44 C ATOM 384 OE1 GLU A 24 11.023 22.709 -9.327 1.00 11.12 O ATOM 385 OE2 GLU A 24 9.793 24.485 -9.732 1.00 33.32 O ATOM 0 H GLU A 24 7.217 19.938 -10.733 1.00 42.43 H new ATOM 0 HA GLU A 24 9.618 20.111 -12.300 1.00 51.11 H new ATOM 0 HB2 GLU A 24 8.068 21.980 -12.179 1.00 52.24 H new ATOM 0 HB3 GLU A 24 8.161 22.013 -10.430 1.00 52.24 H new ATOM 0 HG2 GLU A 24 10.756 22.311 -11.849 1.00 13.01 H new ATOM 0 HG3 GLU A 24 9.615 23.620 -12.085 1.00 13.01 H new ATOM 392 N ASN A 25 9.808 19.712 -9.076 1.00 4.44 N ATOM 393 CA ASN A 25 10.721 19.469 -7.964 1.00 51.41 C ATOM 394 C ASN A 25 11.323 18.070 -8.051 1.00 11.25 C ATOM 395 O ASN A 25 12.404 17.814 -7.520 1.00 61.05 O ATOM 396 CB ASN A 25 9.991 19.641 -6.631 1.00 14.13 C ATOM 397 CG ASN A 25 10.479 20.850 -5.855 1.00 71.45 C ATOM 398 OD1 ASN A 25 9.709 21.763 -5.559 1.00 11.14 O ATOM 399 ND2 ASN A 25 11.765 20.860 -5.524 1.00 32.50 N ATOM 0 H ASN A 25 8.827 19.528 -8.865 1.00 4.44 H new ATOM 0 HA ASN A 25 11.530 20.197 -8.024 1.00 51.41 H new ATOM 0 HB2 ASN A 25 8.921 19.739 -6.816 1.00 14.13 H new ATOM 0 HB3 ASN A 25 10.129 18.745 -6.026 1.00 14.13 H new ATOM 0 HD21 ASN A 25 12.151 21.647 -5.003 1.00 32.50 H new ATOM 0 HD22 ASN A 25 12.366 20.081 -5.791 1.00 32.50 H new ATOM 406 N VAL A 26 10.615 17.168 -8.723 1.00 63.10 N ATOM 407 CA VAL A 26 11.080 15.795 -8.881 1.00 31.12 C ATOM 408 C VAL A 26 12.148 15.697 -9.965 1.00 14.24 C ATOM 409 O VAL A 26 13.002 14.811 -9.932 1.00 52.15 O ATOM 410 CB VAL A 26 9.919 14.846 -9.233 1.00 15.44 C ATOM 411 CG1 VAL A 26 10.450 13.484 -9.652 1.00 52.34 C ATOM 412 CG2 VAL A 26 8.963 14.716 -8.056 1.00 71.32 C ATOM 0 H VAL A 26 9.718 17.363 -9.167 1.00 63.10 H new ATOM 0 HA VAL A 26 11.508 15.494 -7.925 1.00 31.12 H new ATOM 0 HB VAL A 26 9.369 15.269 -10.074 1.00 15.44 H new ATOM 0 HG11 VAL A 26 9.615 12.828 -9.897 1.00 52.34 H new ATOM 0 HG12 VAL A 26 11.091 13.597 -10.526 1.00 52.34 H new ATOM 0 HG13 VAL A 26 11.025 13.050 -8.834 1.00 52.34 H new ATOM 0 HG21 VAL A 26 8.149 14.042 -8.322 1.00 71.32 H new ATOM 0 HG22 VAL A 26 9.498 14.316 -7.195 1.00 71.32 H new ATOM 0 HG23 VAL A 26 8.556 15.696 -7.808 1.00 71.32 H new ATOM 422 N LYS A 27 12.094 16.614 -10.925 1.00 10.24 N ATOM 423 CA LYS A 27 13.057 16.634 -12.019 1.00 41.11 C ATOM 424 C LYS A 27 14.478 16.804 -11.491 1.00 11.14 C ATOM 425 O LYS A 27 15.426 16.244 -12.041 1.00 12.43 O ATOM 426 CB LYS A 27 12.727 17.765 -12.996 1.00 75.42 C ATOM 427 CG LYS A 27 13.123 19.141 -12.491 1.00 32.13 C ATOM 428 CD LYS A 27 14.519 19.524 -12.952 1.00 71.13 C ATOM 429 CE LYS A 27 14.595 20.994 -13.336 1.00 64.32 C ATOM 430 NZ LYS A 27 14.864 21.862 -12.156 1.00 73.24 N ATOM 0 H LYS A 27 11.393 17.354 -10.967 1.00 10.24 H new ATOM 0 HA LYS A 27 12.994 15.680 -12.542 1.00 41.11 H new ATOM 0 HB2 LYS A 27 13.233 17.575 -13.942 1.00 75.42 H new ATOM 0 HB3 LYS A 27 11.656 17.757 -13.200 1.00 75.42 H new ATOM 0 HG2 LYS A 27 12.406 19.880 -12.847 1.00 32.13 H new ATOM 0 HG3 LYS A 27 13.082 19.156 -11.402 1.00 32.13 H new ATOM 0 HD2 LYS A 27 15.236 19.317 -12.157 1.00 71.13 H new ATOM 0 HD3 LYS A 27 14.803 18.909 -13.806 1.00 71.13 H new ATOM 0 HE2 LYS A 27 15.381 21.135 -14.078 1.00 64.32 H new ATOM 0 HE3 LYS A 27 13.658 21.296 -13.803 1.00 64.32 H new ATOM 0 HZ1 LYS A 27 14.908 22.856 -12.459 1.00 73.24 H new ATOM 0 HZ2 LYS A 27 14.101 21.746 -11.459 1.00 73.24 H new ATOM 0 HZ3 LYS A 27 15.771 21.591 -11.725 1.00 73.24 H new ATOM 444 N ALA A 28 14.617 17.579 -10.420 1.00 23.33 N ATOM 445 CA ALA A 28 15.922 17.819 -9.815 1.00 73.12 C ATOM 446 C ALA A 28 16.566 16.513 -9.362 1.00 72.05 C ATOM 447 O ALA A 28 17.778 16.334 -9.478 1.00 25.13 O ATOM 448 CB ALA A 28 15.791 18.780 -8.643 1.00 22.44 C ATOM 0 H ALA A 28 13.842 18.051 -9.954 1.00 23.33 H new ATOM 0 HA ALA A 28 16.568 18.269 -10.569 1.00 73.12 H new ATOM 0 HB1 ALA A 28 16.773 18.950 -8.201 1.00 22.44 H new ATOM 0 HB2 ALA A 28 15.382 19.727 -8.993 1.00 22.44 H new ATOM 0 HB3 ALA A 28 15.125 18.352 -7.894 1.00 22.44 H new ATOM 454 N LYS A 29 15.747 15.603 -8.846 1.00 61.32 N ATOM 455 CA LYS A 29 16.236 14.312 -8.376 1.00 0.22 C ATOM 456 C LYS A 29 16.784 13.483 -9.533 1.00 51.21 C ATOM 457 O LYS A 29 17.768 12.760 -9.379 1.00 22.41 O ATOM 458 CB LYS A 29 15.115 13.545 -7.671 1.00 1.01 C ATOM 459 CG LYS A 29 15.411 13.239 -6.213 1.00 12.43 C ATOM 460 CD LYS A 29 14.378 12.295 -5.620 1.00 64.25 C ATOM 461 CE LYS A 29 14.500 12.215 -4.106 1.00 73.04 C ATOM 462 NZ LYS A 29 15.753 11.529 -3.686 1.00 12.23 N ATOM 0 H LYS A 29 14.741 15.736 -8.743 1.00 61.32 H new ATOM 0 HA LYS A 29 17.045 14.494 -7.668 1.00 0.22 H new ATOM 0 HB2 LYS A 29 14.195 14.126 -7.732 1.00 1.01 H new ATOM 0 HB3 LYS A 29 14.937 12.609 -8.201 1.00 1.01 H new ATOM 0 HG2 LYS A 29 16.403 12.795 -6.128 1.00 12.43 H new ATOM 0 HG3 LYS A 29 15.427 14.167 -5.642 1.00 12.43 H new ATOM 0 HD2 LYS A 29 13.377 12.634 -5.888 1.00 64.25 H new ATOM 0 HD3 LYS A 29 14.503 11.301 -6.049 1.00 64.25 H new ATOM 0 HE2 LYS A 29 14.478 13.221 -3.686 1.00 73.04 H new ATOM 0 HE3 LYS A 29 13.640 11.682 -3.700 1.00 73.04 H new ATOM 0 HZ1 LYS A 29 15.799 11.495 -2.648 1.00 12.23 H new ATOM 0 HZ2 LYS A 29 15.762 10.561 -4.065 1.00 12.23 H new ATOM 0 HZ3 LYS A 29 16.574 12.052 -4.052 1.00 12.23 H new ATOM 476 N ILE A 30 16.142 13.595 -10.691 1.00 34.21 N ATOM 477 CA ILE A 30 16.567 12.857 -11.874 1.00 51.30 C ATOM 478 C ILE A 30 17.907 13.371 -12.390 1.00 13.20 C ATOM 479 O ILE A 30 18.768 12.590 -12.794 1.00 13.14 O ATOM 480 CB ILE A 30 15.524 12.954 -13.003 1.00 34.12 C ATOM 481 CG1 ILE A 30 14.145 12.533 -12.490 1.00 12.21 C ATOM 482 CG2 ILE A 30 15.941 12.092 -14.185 1.00 32.32 C ATOM 483 CD1 ILE A 30 14.121 11.145 -11.889 1.00 4.33 C ATOM 0 H ILE A 30 15.326 14.190 -10.835 1.00 34.21 H new ATOM 0 HA ILE A 30 16.671 11.814 -11.575 1.00 51.30 H new ATOM 0 HB ILE A 30 15.466 13.990 -13.337 1.00 34.12 H new ATOM 0 HG12 ILE A 30 13.811 13.250 -11.740 1.00 12.21 H new ATOM 0 HG13 ILE A 30 13.432 12.576 -13.313 1.00 12.21 H new ATOM 0 HG21 ILE A 30 15.194 12.171 -14.975 1.00 32.32 H new ATOM 0 HG22 ILE A 30 16.905 12.433 -14.562 1.00 32.32 H new ATOM 0 HG23 ILE A 30 16.023 11.053 -13.866 1.00 32.32 H new ATOM 0 HD11 ILE A 30 13.112 10.914 -11.547 1.00 4.33 H new ATOM 0 HD12 ILE A 30 14.424 10.417 -12.642 1.00 4.33 H new ATOM 0 HD13 ILE A 30 14.809 11.102 -11.045 1.00 4.33 H new ATOM 495 N GLN A 31 18.075 14.689 -12.372 1.00 4.42 N ATOM 496 CA GLN A 31 19.311 15.307 -12.837 1.00 44.40 C ATOM 497 C GLN A 31 20.463 15.004 -11.885 1.00 5.42 C ATOM 498 O GLN A 31 21.624 14.959 -12.293 1.00 71.25 O ATOM 499 CB GLN A 31 19.130 16.820 -12.972 1.00 45.34 C ATOM 500 CG GLN A 31 20.413 17.558 -13.321 1.00 24.42 C ATOM 501 CD GLN A 31 20.274 19.062 -13.198 1.00 14.13 C ATOM 502 OE1 GLN A 31 19.495 19.560 -12.384 1.00 2.40 O ATOM 503 NE2 GLN A 31 21.029 19.795 -14.007 1.00 2.31 N ATOM 0 H GLN A 31 17.371 15.349 -12.041 1.00 4.42 H new ATOM 0 HA GLN A 31 19.552 14.888 -13.814 1.00 44.40 H new ATOM 0 HB2 GLN A 31 18.384 17.021 -13.741 1.00 45.34 H new ATOM 0 HB3 GLN A 31 18.737 17.215 -12.036 1.00 45.34 H new ATOM 0 HG2 GLN A 31 21.214 17.216 -12.665 1.00 24.42 H new ATOM 0 HG3 GLN A 31 20.706 17.306 -14.340 1.00 24.42 H new ATOM 0 HE21 GLN A 31 21.661 19.340 -14.666 1.00 2.31 H new ATOM 0 HE22 GLN A 31 20.978 20.813 -13.969 1.00 2.31 H new ATOM 512 N ASP A 32 20.135 14.798 -10.614 1.00 45.31 N ATOM 513 CA ASP A 32 21.143 14.499 -9.603 1.00 40.02 C ATOM 514 C ASP A 32 21.557 13.032 -9.667 1.00 4.34 C ATOM 515 O ASP A 32 22.519 12.619 -9.018 1.00 33.31 O ATOM 516 CB ASP A 32 20.611 14.832 -8.208 1.00 63.13 C ATOM 517 CG ASP A 32 21.724 15.087 -7.210 1.00 73.23 C ATOM 518 OD1 ASP A 32 22.402 16.129 -7.330 1.00 55.01 O ATOM 519 OD2 ASP A 32 21.916 14.244 -6.309 1.00 11.52 O ATOM 0 H ASP A 32 19.179 14.833 -10.259 1.00 45.31 H new ATOM 0 HA ASP A 32 22.020 15.115 -9.805 1.00 40.02 H new ATOM 0 HB2 ASP A 32 19.971 15.712 -8.267 1.00 63.13 H new ATOM 0 HB3 ASP A 32 19.990 14.009 -7.853 1.00 63.13 H new ATOM 524 N LYS A 33 20.825 12.249 -10.452 1.00 1.35 N ATOM 525 CA LYS A 33 21.115 10.828 -10.601 1.00 3.22 C ATOM 526 C LYS A 33 21.666 10.528 -11.991 1.00 51.43 C ATOM 527 O LYS A 33 22.574 9.713 -12.146 1.00 21.31 O ATOM 528 CB LYS A 33 19.853 10.000 -10.351 1.00 30.10 C ATOM 529 CG LYS A 33 20.103 8.502 -10.331 1.00 33.24 C ATOM 530 CD LYS A 33 19.647 7.878 -9.022 1.00 54.21 C ATOM 531 CE LYS A 33 20.472 6.650 -8.673 1.00 24.34 C ATOM 532 NZ LYS A 33 21.141 6.789 -7.349 1.00 73.21 N ATOM 0 H LYS A 33 20.026 12.575 -10.995 1.00 1.35 H new ATOM 0 HA LYS A 33 21.871 10.558 -9.864 1.00 3.22 H new ATOM 0 HB2 LYS A 33 19.415 10.300 -9.399 1.00 30.10 H new ATOM 0 HB3 LYS A 33 19.120 10.227 -11.125 1.00 30.10 H new ATOM 0 HG2 LYS A 33 19.576 8.033 -11.162 1.00 33.24 H new ATOM 0 HG3 LYS A 33 21.165 8.307 -10.477 1.00 33.24 H new ATOM 0 HD2 LYS A 33 19.728 8.612 -8.220 1.00 54.21 H new ATOM 0 HD3 LYS A 33 18.595 7.602 -9.096 1.00 54.21 H new ATOM 0 HE2 LYS A 33 19.828 5.770 -8.664 1.00 24.34 H new ATOM 0 HE3 LYS A 33 21.224 6.487 -9.445 1.00 24.34 H new ATOM 0 HZ1 LYS A 33 21.694 5.931 -7.148 1.00 73.21 H new ATOM 0 HZ2 LYS A 33 21.775 7.613 -7.365 1.00 73.21 H new ATOM 0 HZ3 LYS A 33 20.422 6.919 -6.609 1.00 73.21 H new ATOM 546 N GLU A 34 21.111 11.195 -12.999 1.00 72.50 N ATOM 547 CA GLU A 34 21.548 10.999 -14.376 1.00 61.42 C ATOM 548 C GLU A 34 21.994 12.319 -14.999 1.00 31.35 C ATOM 549 O GLU A 34 22.924 12.355 -15.803 1.00 52.52 O ATOM 550 CB GLU A 34 20.422 10.384 -15.210 1.00 32.22 C ATOM 551 CG GLU A 34 19.897 9.072 -14.650 1.00 52.34 C ATOM 552 CD GLU A 34 20.739 7.882 -15.066 1.00 24.12 C ATOM 553 OE1 GLU A 34 21.428 7.977 -16.103 1.00 64.22 O ATOM 554 OE2 GLU A 34 20.710 6.856 -14.355 1.00 13.25 O ATOM 0 H GLU A 34 20.359 11.875 -12.887 1.00 72.50 H new ATOM 0 HA GLU A 34 22.398 10.316 -14.366 1.00 61.42 H new ATOM 0 HB2 GLU A 34 19.600 11.096 -15.276 1.00 32.22 H new ATOM 0 HB3 GLU A 34 20.782 10.218 -16.225 1.00 32.22 H new ATOM 0 HG2 GLU A 34 19.870 9.131 -13.562 1.00 52.34 H new ATOM 0 HG3 GLU A 34 18.871 8.922 -14.987 1.00 52.34 H new ATOM 561 N GLY A 35 21.322 13.402 -14.620 1.00 21.24 N ATOM 562 CA GLY A 35 21.662 14.709 -15.150 1.00 41.02 C ATOM 563 C GLY A 35 20.955 15.006 -16.458 1.00 31.14 C ATOM 564 O GLY A 35 21.400 15.852 -17.233 1.00 50.42 O ATOM 0 H GLY A 35 20.548 13.397 -13.955 1.00 21.24 H new ATOM 0 HA2 GLY A 35 21.402 15.473 -14.418 1.00 41.02 H new ATOM 0 HA3 GLY A 35 22.740 14.767 -15.302 1.00 41.02 H new ATOM 568 N ILE A 36 19.852 14.307 -16.704 1.00 12.33 N ATOM 569 CA ILE A 36 19.083 14.500 -17.927 1.00 13.43 C ATOM 570 C ILE A 36 18.386 15.857 -17.929 1.00 74.33 C ATOM 571 O ILE A 36 17.665 16.214 -16.997 1.00 4.11 O ATOM 572 CB ILE A 36 18.028 13.393 -18.109 1.00 52.31 C ATOM 573 CG1 ILE A 36 18.702 12.021 -18.167 1.00 71.13 C ATOM 574 CG2 ILE A 36 17.211 13.642 -19.368 1.00 42.14 C ATOM 575 CD1 ILE A 36 19.751 11.909 -19.251 1.00 24.32 C ATOM 0 H ILE A 36 19.471 13.602 -16.073 1.00 12.33 H new ATOM 0 HA ILE A 36 19.790 14.456 -18.755 1.00 13.43 H new ATOM 0 HB ILE A 36 17.354 13.409 -17.253 1.00 52.31 H new ATOM 0 HG12 ILE A 36 19.164 11.811 -17.202 1.00 71.13 H new ATOM 0 HG13 ILE A 36 17.941 11.258 -18.329 1.00 71.13 H new ATOM 0 HG21 ILE A 36 16.470 12.851 -19.483 1.00 42.14 H new ATOM 0 HG22 ILE A 36 16.706 14.605 -19.289 1.00 42.14 H new ATOM 0 HG23 ILE A 36 17.872 13.649 -20.235 1.00 42.14 H new ATOM 0 HD11 ILE A 36 20.187 10.910 -19.234 1.00 24.32 H new ATOM 0 HD12 ILE A 36 19.290 12.087 -20.223 1.00 24.32 H new ATOM 0 HD13 ILE A 36 20.533 12.649 -19.079 1.00 24.32 H new ATOM 587 N PRO A 37 18.602 16.631 -19.003 1.00 31.00 N ATOM 588 CA PRO A 37 18.001 17.960 -19.155 1.00 23.43 C ATOM 589 C PRO A 37 16.495 17.892 -19.385 1.00 4.34 C ATOM 590 O PRO A 37 16.015 17.262 -20.327 1.00 35.05 O ATOM 591 CB PRO A 37 18.706 18.528 -20.389 1.00 12.51 C ATOM 592 CG PRO A 37 19.132 17.332 -21.167 1.00 72.31 C ATOM 593 CD PRO A 37 19.449 16.269 -20.152 1.00 32.22 C ATOM 0 HA PRO A 37 18.124 18.569 -18.259 1.00 23.43 H new ATOM 0 HB2 PRO A 37 18.036 19.161 -20.971 1.00 12.51 H new ATOM 0 HB3 PRO A 37 19.561 19.143 -20.108 1.00 12.51 H new ATOM 0 HG2 PRO A 37 18.342 17.004 -21.842 1.00 72.31 H new ATOM 0 HG3 PRO A 37 20.003 17.557 -21.782 1.00 72.31 H new ATOM 0 HD2 PRO A 37 19.214 15.273 -20.527 1.00 32.22 H new ATOM 0 HD3 PRO A 37 20.506 16.269 -19.887 1.00 32.22 H new ATOM 601 N PRO A 38 15.731 18.557 -18.505 1.00 64.10 N ATOM 602 CA PRO A 38 14.268 18.588 -18.592 1.00 44.34 C ATOM 603 C PRO A 38 13.776 19.402 -19.784 1.00 41.31 C ATOM 604 O PRO A 38 12.581 19.428 -20.080 1.00 22.45 O ATOM 605 CB PRO A 38 13.849 19.255 -17.280 1.00 31.43 C ATOM 606 CG PRO A 38 15.024 20.079 -16.881 1.00 52.31 C ATOM 607 CD PRO A 38 16.237 19.330 -17.358 1.00 31.41 C ATOM 0 HA PRO A 38 13.847 17.593 -18.734 1.00 44.34 H new ATOM 0 HB2 PRO A 38 12.961 19.872 -17.416 1.00 31.43 H new ATOM 0 HB3 PRO A 38 13.609 18.513 -16.518 1.00 31.43 H new ATOM 0 HG2 PRO A 38 14.976 21.071 -17.331 1.00 52.31 H new ATOM 0 HG3 PRO A 38 15.053 20.220 -15.801 1.00 52.31 H new ATOM 0 HD2 PRO A 38 17.038 20.008 -17.652 1.00 31.41 H new ATOM 0 HD3 PRO A 38 16.639 18.680 -16.581 1.00 31.41 H new ATOM 615 N ASP A 39 14.704 20.066 -20.465 1.00 32.10 N ATOM 616 CA ASP A 39 14.364 20.880 -21.626 1.00 40.11 C ATOM 617 C ASP A 39 14.060 20.002 -22.836 1.00 22.43 C ATOM 618 O ASP A 39 13.322 20.402 -23.735 1.00 41.22 O ATOM 619 CB ASP A 39 15.507 21.842 -21.953 1.00 41.22 C ATOM 620 CG ASP A 39 15.018 23.251 -22.224 1.00 40.45 C ATOM 621 OD1 ASP A 39 14.753 23.985 -21.249 1.00 60.14 O ATOM 622 OD2 ASP A 39 14.899 23.620 -23.412 1.00 5.41 O ATOM 0 H ASP A 39 15.697 20.056 -20.233 1.00 32.10 H new ATOM 0 HA ASP A 39 13.471 21.457 -21.385 1.00 40.11 H new ATOM 0 HB2 ASP A 39 16.213 21.859 -21.122 1.00 41.22 H new ATOM 0 HB3 ASP A 39 16.049 21.475 -22.824 1.00 41.22 H new ATOM 627 N GLN A 40 14.635 18.803 -22.850 1.00 4.51 N ATOM 628 CA GLN A 40 14.427 17.870 -23.950 1.00 63.24 C ATOM 629 C GLN A 40 13.662 16.637 -23.481 1.00 20.11 C ATOM 630 O GLN A 40 13.325 15.763 -24.280 1.00 11.53 O ATOM 631 CB GLN A 40 15.770 17.452 -24.554 1.00 14.34 C ATOM 632 CG GLN A 40 16.004 17.999 -25.953 1.00 21.33 C ATOM 633 CD GLN A 40 15.521 17.055 -27.036 1.00 65.23 C ATOM 634 OE1 GLN A 40 15.140 15.917 -26.760 1.00 63.00 O ATOM 635 NE2 GLN A 40 15.535 17.523 -28.279 1.00 1.01 N ATOM 0 H GLN A 40 15.248 18.456 -22.112 1.00 4.51 H new ATOM 0 HA GLN A 40 13.834 18.374 -24.713 1.00 63.24 H new ATOM 0 HB2 GLN A 40 16.574 17.791 -23.901 1.00 14.34 H new ATOM 0 HB3 GLN A 40 15.822 16.364 -24.585 1.00 14.34 H new ATOM 0 HG2 GLN A 40 15.492 18.956 -26.055 1.00 21.33 H new ATOM 0 HG3 GLN A 40 17.068 18.190 -26.091 1.00 21.33 H new ATOM 0 HE21 GLN A 40 15.859 18.473 -28.463 1.00 1.01 H new ATOM 0 HE22 GLN A 40 15.222 16.933 -29.050 1.00 1.01 H new ATOM 644 N GLN A 41 13.392 16.574 -22.181 1.00 71.41 N ATOM 645 CA GLN A 41 12.667 15.447 -21.606 1.00 62.40 C ATOM 646 C GLN A 41 11.177 15.754 -21.501 1.00 61.13 C ATOM 647 O GLN A 41 10.784 16.797 -20.979 1.00 33.12 O ATOM 648 CB GLN A 41 13.228 15.104 -20.225 1.00 13.14 C ATOM 649 CG GLN A 41 12.945 13.675 -19.790 1.00 54.03 C ATOM 650 CD GLN A 41 13.217 13.448 -18.316 1.00 43.15 C ATOM 651 OE1 GLN A 41 14.111 12.685 -17.949 1.00 32.40 O ATOM 652 NE2 GLN A 41 12.447 14.112 -17.463 1.00 32.25 N ATOM 0 H GLN A 41 13.664 17.289 -21.507 1.00 71.41 H new ATOM 0 HA GLN A 41 12.796 14.589 -22.266 1.00 62.40 H new ATOM 0 HB2 GLN A 41 14.306 15.267 -20.229 1.00 13.14 H new ATOM 0 HB3 GLN A 41 12.805 15.789 -19.490 1.00 13.14 H new ATOM 0 HG2 GLN A 41 11.904 13.434 -20.005 1.00 54.03 H new ATOM 0 HG3 GLN A 41 13.558 12.992 -20.378 1.00 54.03 H new ATOM 0 HE21 GLN A 41 11.718 14.734 -17.812 1.00 32.25 H new ATOM 0 HE22 GLN A 41 12.584 14.000 -16.458 1.00 32.25 H new ATOM 661 N ARG A 42 10.353 14.839 -22.002 1.00 12.42 N ATOM 662 CA ARG A 42 8.906 15.014 -21.966 1.00 32.31 C ATOM 663 C ARG A 42 8.218 13.749 -21.460 1.00 61.12 C ATOM 664 O ARG A 42 8.528 12.642 -21.903 1.00 34.22 O ATOM 665 CB ARG A 42 8.379 15.372 -23.357 1.00 2.02 C ATOM 666 CG ARG A 42 9.398 15.164 -24.466 1.00 35.02 C ATOM 667 CD ARG A 42 8.737 15.165 -25.836 1.00 24.13 C ATOM 668 NE ARG A 42 9.379 14.227 -26.753 1.00 34.31 N ATOM 669 CZ ARG A 42 8.899 13.932 -27.956 1.00 63.52 C ATOM 670 NH1 ARG A 42 7.780 14.499 -28.385 1.00 64.31 N ATOM 671 NH2 ARG A 42 9.540 13.068 -28.733 1.00 61.42 N ATOM 0 H ARG A 42 10.663 13.970 -22.437 1.00 12.42 H new ATOM 0 HA ARG A 42 8.681 15.830 -21.279 1.00 32.31 H new ATOM 0 HB2 ARG A 42 7.496 14.769 -23.568 1.00 2.02 H new ATOM 0 HB3 ARG A 42 8.060 16.414 -23.359 1.00 2.02 H new ATOM 0 HG2 ARG A 42 10.150 15.952 -24.423 1.00 35.02 H new ATOM 0 HG3 ARG A 42 9.917 14.218 -24.312 1.00 35.02 H new ATOM 0 HD2 ARG A 42 7.684 14.906 -25.731 1.00 24.13 H new ATOM 0 HD3 ARG A 42 8.777 16.169 -26.257 1.00 24.13 H new ATOM 0 HE ARG A 42 10.242 13.774 -26.454 1.00 34.31 H new ATOM 0 HH11 ARG A 42 7.285 15.164 -27.791 1.00 64.31 H new ATOM 0 HH12 ARG A 42 7.414 14.270 -29.309 1.00 64.31 H new ATOM 0 HH21 ARG A 42 10.401 12.630 -28.407 1.00 61.42 H new ATOM 0 HH22 ARG A 42 9.171 12.842 -29.657 1.00 61.42 H new ATOM 685 N LEU A 43 7.285 13.921 -20.531 1.00 33.42 N ATOM 686 CA LEU A 43 6.553 12.793 -19.964 1.00 1.13 C ATOM 687 C LEU A 43 5.048 13.024 -20.047 1.00 34.25 C ATOM 688 O LEU A 43 4.573 14.150 -19.894 1.00 21.21 O ATOM 689 CB LEU A 43 6.967 12.571 -18.508 1.00 2.10 C ATOM 690 CG LEU A 43 6.604 13.688 -17.529 1.00 50.21 C ATOM 691 CD1 LEU A 43 6.420 13.130 -16.126 1.00 44.04 C ATOM 692 CD2 LEU A 43 7.671 14.773 -17.538 1.00 22.01 C ATOM 0 H LEU A 43 7.017 14.830 -20.154 1.00 33.42 H new ATOM 0 HA LEU A 43 6.798 11.904 -20.545 1.00 1.13 H new ATOM 0 HB2 LEU A 43 6.509 11.646 -18.158 1.00 2.10 H new ATOM 0 HB3 LEU A 43 8.047 12.424 -18.477 1.00 2.10 H new ATOM 0 HG LEU A 43 5.661 14.132 -17.848 1.00 50.21 H new ATOM 0 HD11 LEU A 43 6.162 13.940 -15.443 1.00 44.04 H new ATOM 0 HD12 LEU A 43 5.619 12.390 -16.131 1.00 44.04 H new ATOM 0 HD13 LEU A 43 7.347 12.659 -15.797 1.00 44.04 H new ATOM 0 HD21 LEU A 43 7.396 15.560 -16.835 1.00 22.01 H new ATOM 0 HD22 LEU A 43 8.629 14.344 -17.245 1.00 22.01 H new ATOM 0 HD23 LEU A 43 7.753 15.194 -18.540 1.00 22.01 H new ATOM 704 N ILE A 44 4.302 11.950 -20.287 1.00 1.51 N ATOM 705 CA ILE A 44 2.850 12.036 -20.386 1.00 64.02 C ATOM 706 C ILE A 44 2.177 10.979 -19.517 1.00 52.42 C ATOM 707 O ILE A 44 2.785 9.967 -19.169 1.00 14.03 O ATOM 708 CB ILE A 44 2.375 11.867 -21.841 1.00 52.23 C ATOM 709 CG1 ILE A 44 2.781 10.493 -22.378 1.00 2.05 C ATOM 710 CG2 ILE A 44 2.945 12.973 -22.717 1.00 1.24 C ATOM 711 CD1 ILE A 44 4.193 10.449 -22.920 1.00 14.30 C ATOM 0 H ILE A 44 4.679 11.011 -20.416 1.00 1.51 H new ATOM 0 HA ILE A 44 2.567 13.028 -20.033 1.00 64.02 H new ATOM 0 HB ILE A 44 1.287 11.937 -21.862 1.00 52.23 H new ATOM 0 HG12 ILE A 44 2.684 9.757 -21.580 1.00 2.05 H new ATOM 0 HG13 ILE A 44 2.088 10.201 -23.167 1.00 2.05 H new ATOM 0 HG21 ILE A 44 2.600 12.839 -23.742 1.00 1.24 H new ATOM 0 HG22 ILE A 44 2.610 13.941 -22.345 1.00 1.24 H new ATOM 0 HG23 ILE A 44 4.034 12.932 -22.692 1.00 1.24 H new ATOM 0 HD11 ILE A 44 4.412 9.445 -23.283 1.00 14.30 H new ATOM 0 HD12 ILE A 44 4.290 11.161 -23.740 1.00 14.30 H new ATOM 0 HD13 ILE A 44 4.895 10.709 -22.128 1.00 14.30 H new ATOM 723 N PHE A 45 0.916 11.221 -19.172 1.00 25.11 N ATOM 724 CA PHE A 45 0.159 10.290 -18.344 1.00 32.21 C ATOM 725 C PHE A 45 -1.339 10.555 -18.459 1.00 75.11 C ATOM 726 O PHE A 45 -1.787 11.698 -18.371 1.00 60.21 O ATOM 727 CB PHE A 45 0.597 10.401 -16.882 1.00 50.22 C ATOM 728 CG PHE A 45 -0.252 9.597 -15.939 1.00 44.21 C ATOM 729 CD1 PHE A 45 -0.077 8.227 -15.825 1.00 41.52 C ATOM 730 CD2 PHE A 45 -1.224 10.211 -15.167 1.00 15.22 C ATOM 731 CE1 PHE A 45 -0.856 7.485 -14.958 1.00 21.30 C ATOM 732 CE2 PHE A 45 -2.006 9.474 -14.298 1.00 31.23 C ATOM 733 CZ PHE A 45 -1.822 8.109 -14.194 1.00 75.30 C ATOM 0 H PHE A 45 0.398 12.053 -19.453 1.00 25.11 H new ATOM 0 HA PHE A 45 0.360 9.280 -18.700 1.00 32.21 H new ATOM 0 HB2 PHE A 45 1.633 10.073 -16.795 1.00 50.22 H new ATOM 0 HB3 PHE A 45 0.568 11.448 -16.581 1.00 50.22 H new ATOM 0 HD1 PHE A 45 0.677 7.734 -16.421 1.00 41.52 H new ATOM 0 HD2 PHE A 45 -1.373 11.278 -15.245 1.00 15.22 H new ATOM 0 HE1 PHE A 45 -0.709 6.418 -14.878 1.00 21.30 H new ATOM 0 HE2 PHE A 45 -2.760 9.965 -13.701 1.00 31.23 H new ATOM 0 HZ PHE A 45 -2.433 7.531 -13.516 1.00 75.30 H new ATOM 743 N ALA A 46 -2.109 9.490 -18.657 1.00 72.30 N ATOM 744 CA ALA A 46 -3.557 9.606 -18.783 1.00 63.00 C ATOM 745 C ALA A 46 -3.937 10.413 -20.019 1.00 40.45 C ATOM 746 O ALA A 46 -5.037 10.959 -20.103 1.00 24.32 O ATOM 747 CB ALA A 46 -4.146 10.242 -17.533 1.00 1.41 C ATOM 0 H ALA A 46 -1.754 8.537 -18.734 1.00 72.30 H new ATOM 0 HA ALA A 46 -3.969 8.603 -18.895 1.00 63.00 H new ATOM 0 HB1 ALA A 46 -5.228 10.322 -17.641 1.00 1.41 H new ATOM 0 HB2 ALA A 46 -3.913 9.624 -16.666 1.00 1.41 H new ATOM 0 HB3 ALA A 46 -3.720 11.236 -17.395 1.00 1.41 H new ATOM 753 N GLY A 47 -3.019 10.486 -20.979 1.00 10.23 N ATOM 754 CA GLY A 47 -3.277 11.230 -22.198 1.00 34.11 C ATOM 755 C GLY A 47 -3.085 12.723 -22.018 1.00 72.41 C ATOM 756 O GLY A 47 -3.238 13.495 -22.965 1.00 64.31 O ATOM 0 H GLY A 47 -2.101 10.043 -20.934 1.00 10.23 H new ATOM 0 HA2 GLY A 47 -2.612 10.874 -22.985 1.00 34.11 H new ATOM 0 HA3 GLY A 47 -4.297 11.035 -22.530 1.00 34.11 H new ATOM 760 N LYS A 48 -2.751 13.132 -20.799 1.00 61.01 N ATOM 761 CA LYS A 48 -2.538 14.542 -20.497 1.00 1.34 C ATOM 762 C LYS A 48 -1.076 14.810 -20.152 1.00 53.33 C ATOM 763 O LYS A 48 -0.454 14.047 -19.414 1.00 41.23 O ATOM 764 CB LYS A 48 -3.434 14.977 -19.335 1.00 15.00 C ATOM 765 CG LYS A 48 -4.840 15.364 -19.763 1.00 25.11 C ATOM 766 CD LYS A 48 -4.937 16.847 -20.080 1.00 74.32 C ATOM 767 CE LYS A 48 -6.082 17.137 -21.038 1.00 55.23 C ATOM 768 NZ LYS A 48 -5.804 18.326 -21.891 1.00 71.21 N ATOM 0 H LYS A 48 -2.622 12.506 -20.004 1.00 61.01 H new ATOM 0 HA LYS A 48 -2.796 15.120 -21.384 1.00 1.34 H new ATOM 0 HB2 LYS A 48 -3.494 14.165 -18.610 1.00 15.00 H new ATOM 0 HB3 LYS A 48 -2.972 15.824 -18.828 1.00 15.00 H new ATOM 0 HG2 LYS A 48 -5.127 14.784 -20.640 1.00 25.11 H new ATOM 0 HG3 LYS A 48 -5.545 15.113 -18.970 1.00 25.11 H new ATOM 0 HD2 LYS A 48 -5.082 17.409 -19.157 1.00 74.32 H new ATOM 0 HD3 LYS A 48 -3.999 17.189 -20.518 1.00 74.32 H new ATOM 0 HE2 LYS A 48 -6.254 16.267 -21.672 1.00 55.23 H new ATOM 0 HE3 LYS A 48 -6.997 17.303 -20.470 1.00 55.23 H new ATOM 0 HZ1 LYS A 48 -6.608 18.490 -22.530 1.00 71.21 H new ATOM 0 HZ2 LYS A 48 -5.665 19.161 -21.287 1.00 71.21 H new ATOM 0 HZ3 LYS A 48 -4.945 18.157 -22.452 1.00 71.21 H new ATOM 782 N GLN A 49 -0.536 15.899 -20.691 1.00 33.05 N ATOM 783 CA GLN A 49 0.852 16.267 -20.439 1.00 21.31 C ATOM 784 C GLN A 49 1.009 16.883 -19.053 1.00 2.50 C ATOM 785 O GLN A 49 0.339 17.861 -18.717 1.00 45.34 O ATOM 786 CB GLN A 49 1.343 17.247 -21.505 1.00 44.22 C ATOM 787 CG GLN A 49 0.524 18.525 -21.580 1.00 54.25 C ATOM 788 CD GLN A 49 0.962 19.434 -22.712 1.00 71.10 C ATOM 789 OE1 GLN A 49 1.942 19.155 -23.404 1.00 34.13 O ATOM 790 NE2 GLN A 49 0.236 20.529 -22.907 1.00 65.11 N ATOM 0 H GLN A 49 -1.038 16.541 -21.304 1.00 33.05 H new ATOM 0 HA GLN A 49 1.456 15.361 -20.484 1.00 21.31 H new ATOM 0 HB2 GLN A 49 2.382 17.503 -21.300 1.00 44.22 H new ATOM 0 HB3 GLN A 49 1.322 16.754 -22.477 1.00 44.22 H new ATOM 0 HG2 GLN A 49 -0.528 18.271 -21.710 1.00 54.25 H new ATOM 0 HG3 GLN A 49 0.608 19.062 -20.635 1.00 54.25 H new ATOM 0 HE21 GLN A 49 -0.568 20.721 -22.310 1.00 65.11 H new ATOM 0 HE22 GLN A 49 0.483 21.178 -23.654 1.00 65.11 H new ATOM 799 N LEU A 50 1.897 16.306 -18.251 1.00 45.34 N ATOM 800 CA LEU A 50 2.143 16.799 -16.900 1.00 53.14 C ATOM 801 C LEU A 50 2.852 18.149 -16.934 1.00 14.35 C ATOM 802 O LEU A 50 3.936 18.278 -17.501 1.00 74.53 O ATOM 803 CB LEU A 50 2.980 15.790 -16.112 1.00 53.03 C ATOM 804 CG LEU A 50 2.424 14.367 -16.041 1.00 42.24 C ATOM 805 CD1 LEU A 50 3.034 13.614 -14.869 1.00 71.13 C ATOM 806 CD2 LEU A 50 0.907 14.392 -15.930 1.00 53.05 C ATOM 0 H LEU A 50 2.459 15.496 -18.513 1.00 45.34 H new ATOM 0 HA LEU A 50 1.180 16.927 -16.406 1.00 53.14 H new ATOM 0 HB2 LEU A 50 3.975 15.748 -16.555 1.00 53.03 H new ATOM 0 HB3 LEU A 50 3.100 16.163 -15.095 1.00 53.03 H new ATOM 0 HG LEU A 50 2.692 13.846 -16.960 1.00 42.24 H new ATOM 0 HD11 LEU A 50 2.627 12.604 -14.834 1.00 71.13 H new ATOM 0 HD12 LEU A 50 4.116 13.565 -14.991 1.00 71.13 H new ATOM 0 HD13 LEU A 50 2.797 14.133 -13.940 1.00 71.13 H new ATOM 0 HD21 LEU A 50 0.529 13.371 -15.881 1.00 53.05 H new ATOM 0 HD22 LEU A 50 0.617 14.930 -15.028 1.00 53.05 H new ATOM 0 HD23 LEU A 50 0.487 14.893 -16.802 1.00 53.05 H new ATOM 818 N GLU A 51 2.232 19.152 -16.319 1.00 42.42 N ATOM 819 CA GLU A 51 2.805 20.493 -16.278 1.00 24.40 C ATOM 820 C GLU A 51 3.736 20.650 -15.079 1.00 21.52 C ATOM 821 O GLU A 51 3.484 20.098 -14.007 1.00 52.14 O ATOM 822 CB GLU A 51 1.696 21.544 -16.217 1.00 52.44 C ATOM 823 CG GLU A 51 1.574 22.374 -17.484 1.00 52.05 C ATOM 824 CD GLU A 51 0.459 23.399 -17.406 1.00 34.52 C ATOM 825 OE1 GLU A 51 -0.715 22.991 -17.284 1.00 72.51 O ATOM 826 OE2 GLU A 51 0.761 24.609 -17.466 1.00 34.11 O ATOM 0 H GLU A 51 1.334 19.062 -15.843 1.00 42.42 H new ATOM 0 HA GLU A 51 3.385 20.640 -17.189 1.00 24.40 H new ATOM 0 HB2 GLU A 51 0.745 21.046 -16.026 1.00 52.44 H new ATOM 0 HB3 GLU A 51 1.883 22.209 -15.374 1.00 52.44 H new ATOM 0 HG2 GLU A 51 2.519 22.884 -17.672 1.00 52.05 H new ATOM 0 HG3 GLU A 51 1.395 21.712 -18.331 1.00 52.05 H new ATOM 833 N ASP A 52 4.812 21.405 -15.268 1.00 25.31 N ATOM 834 CA ASP A 52 5.781 21.635 -14.203 1.00 4.43 C ATOM 835 C ASP A 52 5.128 22.336 -13.016 1.00 14.22 C ATOM 836 O ASP A 52 5.622 22.266 -11.891 1.00 53.24 O ATOM 837 CB ASP A 52 6.953 22.470 -14.722 1.00 10.32 C ATOM 838 CG ASP A 52 6.857 23.925 -14.305 1.00 73.23 C ATOM 839 OD1 ASP A 52 7.297 24.251 -13.183 1.00 12.41 O ATOM 840 OD2 ASP A 52 6.342 24.737 -15.102 1.00 61.11 O ATOM 0 H ASP A 52 5.035 21.868 -16.149 1.00 25.31 H new ATOM 0 HA ASP A 52 6.154 20.666 -13.870 1.00 4.43 H new ATOM 0 HB2 ASP A 52 7.888 22.050 -14.351 1.00 10.32 H new ATOM 0 HB3 ASP A 52 6.986 22.408 -15.810 1.00 10.32 H new ATOM 845 N GLY A 53 4.013 23.013 -13.275 1.00 40.42 N ATOM 846 CA GLY A 53 3.311 23.718 -12.219 1.00 55.30 C ATOM 847 C GLY A 53 2.241 22.866 -11.565 1.00 2.12 C ATOM 848 O GLY A 53 1.448 23.361 -10.764 1.00 21.44 O ATOM 0 H GLY A 53 3.584 23.086 -14.197 1.00 40.42 H new ATOM 0 HA2 GLY A 53 4.027 24.040 -11.463 1.00 55.30 H new ATOM 0 HA3 GLY A 53 2.854 24.618 -12.629 1.00 55.30 H new ATOM 852 N ARG A 54 2.218 21.582 -11.908 1.00 0.34 N ATOM 853 CA ARG A 54 1.236 20.660 -11.350 1.00 51.31 C ATOM 854 C ARG A 54 1.874 19.757 -10.299 1.00 31.13 C ATOM 855 O ARG A 54 3.056 19.421 -10.387 1.00 15.25 O ATOM 856 CB ARG A 54 0.616 19.810 -12.460 1.00 73.21 C ATOM 857 CG ARG A 54 -0.765 20.280 -12.888 1.00 61.12 C ATOM 858 CD ARG A 54 -0.710 21.655 -13.534 1.00 45.33 C ATOM 859 NE ARG A 54 -1.940 22.412 -13.318 1.00 70.41 N ATOM 860 CZ ARG A 54 -2.135 23.644 -13.775 1.00 34.50 C ATOM 861 NH1 ARG A 54 -1.186 24.255 -14.470 1.00 71.31 N ATOM 862 NH2 ARG A 54 -3.283 24.266 -13.537 1.00 44.52 N ATOM 0 H ARG A 54 2.868 21.157 -12.569 1.00 0.34 H new ATOM 0 HA ARG A 54 0.453 21.248 -10.871 1.00 51.31 H new ATOM 0 HB2 ARG A 54 1.278 19.819 -13.326 1.00 73.21 H new ATOM 0 HB3 ARG A 54 0.550 18.776 -12.120 1.00 73.21 H new ATOM 0 HG2 ARG A 54 -1.193 19.564 -13.590 1.00 61.12 H new ATOM 0 HG3 ARG A 54 -1.425 20.310 -12.021 1.00 61.12 H new ATOM 0 HD2 ARG A 54 0.134 22.212 -13.128 1.00 45.33 H new ATOM 0 HD3 ARG A 54 -0.535 21.546 -14.604 1.00 45.33 H new ATOM 0 HE ARG A 54 -2.691 21.970 -12.787 1.00 70.41 H new ATOM 0 HH11 ARG A 54 -0.303 23.779 -14.655 1.00 71.31 H new ATOM 0 HH12 ARG A 54 -1.339 25.201 -14.820 1.00 71.31 H new ATOM 0 HH21 ARG A 54 -4.015 23.798 -13.003 1.00 44.52 H new ATOM 0 HH22 ARG A 54 -3.433 25.212 -13.888 1.00 44.52 H new ATOM 876 N THR A 55 1.084 19.366 -9.303 1.00 52.52 N ATOM 877 CA THR A 55 1.571 18.504 -8.234 1.00 71.13 C ATOM 878 C THR A 55 1.041 17.083 -8.390 1.00 23.01 C ATOM 879 O THR A 55 0.065 16.848 -9.103 1.00 70.13 O ATOM 880 CB THR A 55 1.165 19.042 -6.849 1.00 61.02 C ATOM 881 OG1 THR A 55 0.035 18.316 -6.353 1.00 71.14 O ATOM 882 CG2 THR A 55 0.830 20.524 -6.921 1.00 41.14 C ATOM 0 H THR A 55 0.104 19.633 -9.215 1.00 52.52 H new ATOM 0 HA THR A 55 2.659 18.494 -8.307 1.00 71.13 H new ATOM 0 HB THR A 55 2.008 18.909 -6.171 1.00 61.02 H new ATOM 0 HG1 THR A 55 -0.216 18.663 -5.472 1.00 71.14 H new ATOM 0 HG21 THR A 55 0.546 20.881 -5.931 1.00 41.14 H new ATOM 0 HG22 THR A 55 1.702 21.077 -7.271 1.00 41.14 H new ATOM 0 HG23 THR A 55 0.002 20.677 -7.613 1.00 41.14 H new ATOM 890 N LEU A 56 1.690 16.138 -7.718 1.00 51.03 N ATOM 891 CA LEU A 56 1.283 14.738 -7.781 1.00 42.54 C ATOM 892 C LEU A 56 -0.152 14.566 -7.295 1.00 31.12 C ATOM 893 O LEU A 56 -0.980 13.959 -7.974 1.00 64.42 O ATOM 894 CB LEU A 56 2.226 13.875 -6.942 1.00 32.35 C ATOM 895 CG LEU A 56 2.687 12.566 -7.583 1.00 70.50 C ATOM 896 CD1 LEU A 56 4.175 12.618 -7.894 1.00 53.50 C ATOM 897 CD2 LEU A 56 2.372 11.386 -6.674 1.00 51.32 C ATOM 0 H LEU A 56 2.500 16.315 -7.124 1.00 51.03 H new ATOM 0 HA LEU A 56 1.335 14.416 -8.821 1.00 42.54 H new ATOM 0 HB2 LEU A 56 3.108 14.467 -6.698 1.00 32.35 H new ATOM 0 HB3 LEU A 56 1.730 13.640 -6.000 1.00 32.35 H new ATOM 0 HG LEU A 56 2.145 12.433 -8.519 1.00 70.50 H new ATOM 0 HD11 LEU A 56 4.485 11.677 -8.350 1.00 53.50 H new ATOM 0 HD12 LEU A 56 4.374 13.438 -8.584 1.00 53.50 H new ATOM 0 HD13 LEU A 56 4.734 12.776 -6.972 1.00 53.50 H new ATOM 0 HD21 LEU A 56 2.707 10.463 -7.147 1.00 51.32 H new ATOM 0 HD22 LEU A 56 2.886 11.513 -5.721 1.00 51.32 H new ATOM 0 HD23 LEU A 56 1.297 11.336 -6.502 1.00 51.32 H new ATOM 909 N SER A 57 -0.441 15.106 -6.115 1.00 45.11 N ATOM 910 CA SER A 57 -1.776 15.010 -5.536 1.00 44.45 C ATOM 911 C SER A 57 -2.801 15.718 -6.417 1.00 12.43 C ATOM 912 O SER A 57 -3.959 15.307 -6.493 1.00 51.23 O ATOM 913 CB SER A 57 -1.790 15.614 -4.131 1.00 3.22 C ATOM 914 OG SER A 57 -2.554 16.807 -4.096 1.00 2.12 O ATOM 0 H SER A 57 0.232 15.615 -5.541 1.00 45.11 H new ATOM 0 HA SER A 57 -2.043 13.955 -5.472 1.00 44.45 H new ATOM 0 HB2 SER A 57 -2.204 14.893 -3.426 1.00 3.22 H new ATOM 0 HB3 SER A 57 -0.769 15.823 -3.811 1.00 3.22 H new ATOM 0 HG SER A 57 -2.549 17.172 -3.187 1.00 2.12 H new ATOM 920 N ASP A 58 -2.367 16.785 -7.079 1.00 20.01 N ATOM 921 CA ASP A 58 -3.246 17.551 -7.955 1.00 42.00 C ATOM 922 C ASP A 58 -3.725 16.698 -9.125 1.00 70.41 C ATOM 923 O ASP A 58 -4.801 16.930 -9.676 1.00 73.21 O ATOM 924 CB ASP A 58 -2.524 18.794 -8.477 1.00 4.34 C ATOM 925 CG ASP A 58 -3.325 19.529 -9.533 1.00 71.11 C ATOM 926 OD1 ASP A 58 -3.214 19.164 -10.723 1.00 10.53 O ATOM 927 OD2 ASP A 58 -4.064 20.468 -9.170 1.00 72.44 O ATOM 0 H ASP A 58 -1.412 17.139 -7.026 1.00 20.01 H new ATOM 0 HA ASP A 58 -4.115 17.861 -7.375 1.00 42.00 H new ATOM 0 HB2 ASP A 58 -2.320 19.468 -7.645 1.00 4.34 H new ATOM 0 HB3 ASP A 58 -1.560 18.502 -8.894 1.00 4.34 H new ATOM 932 N TYR A 59 -2.919 15.711 -9.500 1.00 21.41 N ATOM 933 CA TYR A 59 -3.259 14.825 -10.607 1.00 63.10 C ATOM 934 C TYR A 59 -3.982 13.579 -10.106 1.00 35.04 C ATOM 935 O TYR A 59 -4.301 12.678 -10.881 1.00 2.42 O ATOM 936 CB TYR A 59 -1.996 14.422 -11.371 1.00 54.03 C ATOM 937 CG TYR A 59 -1.995 14.869 -12.816 1.00 23.22 C ATOM 938 CD1 TYR A 59 -1.790 16.201 -13.151 1.00 55.53 C ATOM 939 CD2 TYR A 59 -2.196 13.958 -13.845 1.00 73.43 C ATOM 940 CE1 TYR A 59 -1.789 16.614 -14.470 1.00 21.03 C ATOM 941 CE2 TYR A 59 -2.195 14.361 -15.167 1.00 21.13 C ATOM 942 CZ TYR A 59 -1.991 15.690 -15.474 1.00 13.13 C ATOM 943 OH TYR A 59 -1.989 16.097 -16.788 1.00 70.12 O ATOM 0 H TYR A 59 -2.025 15.504 -9.054 1.00 21.41 H new ATOM 0 HA TYR A 59 -3.926 15.365 -11.279 1.00 63.10 H new ATOM 0 HB2 TYR A 59 -1.126 14.845 -10.868 1.00 54.03 H new ATOM 0 HB3 TYR A 59 -1.890 13.338 -11.335 1.00 54.03 H new ATOM 0 HD1 TYR A 59 -1.629 16.927 -12.367 1.00 55.53 H new ATOM 0 HD2 TYR A 59 -2.356 12.917 -13.608 1.00 73.43 H new ATOM 0 HE1 TYR A 59 -1.631 17.654 -14.713 1.00 21.03 H new ATOM 0 HE2 TYR A 59 -2.353 13.640 -15.955 1.00 21.13 H new ATOM 0 HH TYR A 59 -1.122 16.499 -17.004 1.00 70.12 H new ATOM 953 N ASN A 60 -4.240 13.536 -8.802 1.00 45.33 N ATOM 954 CA ASN A 60 -4.926 12.402 -8.195 1.00 63.43 C ATOM 955 C ASN A 60 -4.192 11.098 -8.496 1.00 11.01 C ATOM 956 O ASN A 60 -4.816 10.058 -8.709 1.00 20.13 O ATOM 957 CB ASN A 60 -6.366 12.318 -8.704 1.00 52.24 C ATOM 958 CG ASN A 60 -7.331 11.842 -7.635 1.00 44.32 C ATOM 959 OD1 ASN A 60 -7.111 12.061 -6.444 1.00 12.22 O ATOM 960 ND2 ASN A 60 -8.406 11.187 -8.058 1.00 4.14 N ATOM 0 H ASN A 60 -3.984 14.274 -8.146 1.00 45.33 H new ATOM 0 HA ASN A 60 -4.937 12.552 -7.115 1.00 63.43 H new ATOM 0 HB2 ASN A 60 -6.680 13.299 -9.062 1.00 52.24 H new ATOM 0 HB3 ASN A 60 -6.408 11.639 -9.556 1.00 52.24 H new ATOM 0 HD21 ASN A 60 -9.091 10.842 -7.385 1.00 4.14 H new ATOM 0 HD22 ASN A 60 -8.547 11.029 -9.056 1.00 4.14 H new ATOM 967 N ILE A 61 -2.865 11.162 -8.511 1.00 11.32 N ATOM 968 CA ILE A 61 -2.047 9.987 -8.783 1.00 41.35 C ATOM 969 C ILE A 61 -2.093 9.003 -7.619 1.00 43.43 C ATOM 970 O ILE A 61 -1.347 9.139 -6.650 1.00 45.22 O ATOM 971 CB ILE A 61 -0.581 10.373 -9.058 1.00 12.05 C ATOM 972 CG1 ILE A 61 -0.503 11.383 -10.205 1.00 23.54 C ATOM 973 CG2 ILE A 61 0.242 9.134 -9.378 1.00 15.02 C ATOM 974 CD1 ILE A 61 -0.972 10.828 -11.531 1.00 73.41 C ATOM 0 H ILE A 61 -2.334 12.015 -8.338 1.00 11.32 H new ATOM 0 HA ILE A 61 -2.462 9.513 -9.672 1.00 41.35 H new ATOM 0 HB ILE A 61 -0.169 10.837 -8.162 1.00 12.05 H new ATOM 0 HG12 ILE A 61 -1.106 12.255 -9.952 1.00 23.54 H new ATOM 0 HG13 ILE A 61 0.527 11.726 -10.307 1.00 23.54 H new ATOM 0 HG21 ILE A 61 1.275 9.423 -9.570 1.00 15.02 H new ATOM 0 HG22 ILE A 61 0.209 8.447 -8.533 1.00 15.02 H new ATOM 0 HG23 ILE A 61 -0.167 8.643 -10.261 1.00 15.02 H new ATOM 0 HD11 ILE A 61 -0.889 11.598 -12.298 1.00 73.41 H new ATOM 0 HD12 ILE A 61 -0.354 9.973 -11.807 1.00 73.41 H new ATOM 0 HD13 ILE A 61 -2.012 10.512 -11.446 1.00 73.41 H new ATOM 986 N GLN A 62 -2.972 8.012 -7.723 1.00 52.45 N ATOM 987 CA GLN A 62 -3.114 7.005 -6.679 1.00 71.32 C ATOM 988 C GLN A 62 -1.937 6.036 -6.694 1.00 64.54 C ATOM 989 O GLN A 62 -1.034 6.152 -7.523 1.00 64.52 O ATOM 990 CB GLN A 62 -4.425 6.236 -6.857 1.00 43.33 C ATOM 991 CG GLN A 62 -5.229 6.099 -5.574 1.00 42.25 C ATOM 992 CD GLN A 62 -5.810 4.711 -5.396 1.00 21.45 C ATOM 993 OE1 GLN A 62 -5.237 3.721 -5.853 1.00 5.43 O ATOM 994 NE2 GLN A 62 -6.955 4.629 -4.727 1.00 44.23 N ATOM 0 H GLN A 62 -3.596 7.885 -8.520 1.00 52.45 H new ATOM 0 HA GLN A 62 -3.129 7.516 -5.716 1.00 71.32 H new ATOM 0 HB2 GLN A 62 -5.035 6.742 -7.606 1.00 43.33 H new ATOM 0 HB3 GLN A 62 -4.204 5.242 -7.245 1.00 43.33 H new ATOM 0 HG2 GLN A 62 -4.590 6.333 -4.722 1.00 42.25 H new ATOM 0 HG3 GLN A 62 -6.038 6.830 -5.577 1.00 42.25 H new ATOM 0 HE21 GLN A 62 -7.396 5.475 -4.365 1.00 44.23 H new ATOM 0 HE22 GLN A 62 -7.393 3.720 -4.575 1.00 44.23 H new ATOM 1003 N LYS A 63 -1.952 5.079 -5.772 1.00 0.30 N ATOM 1004 CA LYS A 63 -0.887 4.088 -5.679 1.00 5.32 C ATOM 1005 C LYS A 63 -1.023 3.038 -6.776 1.00 60.14 C ATOM 1006 O LYS A 63 -2.132 2.655 -7.146 1.00 73.21 O ATOM 1007 CB LYS A 63 -0.909 3.413 -4.306 1.00 31.51 C ATOM 1008 CG LYS A 63 -2.171 2.609 -4.044 1.00 71.23 C ATOM 1009 CD LYS A 63 -2.245 2.142 -2.600 1.00 74.23 C ATOM 1010 CE LYS A 63 -3.531 2.602 -1.931 1.00 13.20 C ATOM 1011 NZ LYS A 63 -3.344 3.879 -1.188 1.00 45.23 N ATOM 0 H LYS A 63 -2.691 4.969 -5.078 1.00 0.30 H new ATOM 0 HA LYS A 63 0.065 4.602 -5.809 1.00 5.32 H new ATOM 0 HB2 LYS A 63 -0.044 2.755 -4.220 1.00 31.51 H new ATOM 0 HB3 LYS A 63 -0.807 4.176 -3.534 1.00 31.51 H new ATOM 0 HG2 LYS A 63 -3.045 3.217 -4.276 1.00 71.23 H new ATOM 0 HG3 LYS A 63 -2.198 1.745 -4.708 1.00 71.23 H new ATOM 0 HD2 LYS A 63 -2.184 1.054 -2.565 1.00 74.23 H new ATOM 0 HD3 LYS A 63 -1.388 2.527 -2.047 1.00 74.23 H new ATOM 0 HE2 LYS A 63 -4.307 2.731 -2.686 1.00 13.20 H new ATOM 0 HE3 LYS A 63 -3.879 1.830 -1.245 1.00 13.20 H new ATOM 0 HZ1 LYS A 63 -4.243 4.159 -0.746 1.00 45.23 H new ATOM 0 HZ2 LYS A 63 -2.622 3.749 -0.451 1.00 45.23 H new ATOM 0 HZ3 LYS A 63 -3.036 4.622 -1.847 1.00 45.23 H new ATOM 1025 N GLU A 64 0.112 2.576 -7.292 1.00 21.13 N ATOM 1026 CA GLU A 64 0.117 1.569 -8.347 1.00 3.33 C ATOM 1027 C GLU A 64 -0.154 2.206 -9.707 1.00 61.50 C ATOM 1028 O GLU A 64 -0.683 1.560 -10.612 1.00 13.04 O ATOM 1029 CB GLU A 64 -0.929 0.491 -8.058 1.00 62.33 C ATOM 1030 CG GLU A 64 -0.569 -0.873 -8.625 1.00 15.34 C ATOM 1031 CD GLU A 64 -1.689 -1.475 -9.451 1.00 52.43 C ATOM 1032 OE1 GLU A 64 -2.833 -1.529 -8.953 1.00 4.54 O ATOM 1033 OE2 GLU A 64 -1.421 -1.892 -10.598 1.00 12.43 O ATOM 0 H GLU A 64 1.039 2.883 -6.997 1.00 21.13 H new ATOM 0 HA GLU A 64 1.105 1.109 -8.371 1.00 3.33 H new ATOM 0 HB2 GLU A 64 -1.060 0.404 -6.979 1.00 62.33 H new ATOM 0 HB3 GLU A 64 -1.887 0.806 -8.471 1.00 62.33 H new ATOM 0 HG2 GLU A 64 0.324 -0.781 -9.243 1.00 15.34 H new ATOM 0 HG3 GLU A 64 -0.322 -1.549 -7.806 1.00 15.34 H new ATOM 1040 N SER A 65 0.212 3.476 -9.843 1.00 65.02 N ATOM 1041 CA SER A 65 0.005 4.202 -11.091 1.00 20.22 C ATOM 1042 C SER A 65 1.172 3.981 -12.048 1.00 43.41 C ATOM 1043 O SER A 65 2.333 3.964 -11.638 1.00 4.03 O ATOM 1044 CB SER A 65 -0.166 5.697 -10.813 1.00 75.43 C ATOM 1045 OG SER A 65 0.982 6.233 -10.180 1.00 21.34 O ATOM 0 H SER A 65 0.653 4.024 -9.105 1.00 65.02 H new ATOM 0 HA SER A 65 -0.903 3.820 -11.559 1.00 20.22 H new ATOM 0 HB2 SER A 65 -0.349 6.225 -11.749 1.00 75.43 H new ATOM 0 HB3 SER A 65 -1.040 5.855 -10.181 1.00 75.43 H new ATOM 0 HG SER A 65 1.364 6.941 -10.740 1.00 21.34 H new ATOM 1051 N THR A 66 0.856 3.813 -13.328 1.00 71.24 N ATOM 1052 CA THR A 66 1.876 3.592 -14.345 1.00 44.12 C ATOM 1053 C THR A 66 1.965 4.776 -15.301 1.00 72.05 C ATOM 1054 O THR A 66 0.964 5.190 -15.888 1.00 73.40 O ATOM 1055 CB THR A 66 1.595 2.312 -15.155 1.00 51.51 C ATOM 1056 OG1 THR A 66 2.640 2.097 -16.109 1.00 64.15 O ATOM 1057 CG2 THR A 66 0.258 2.410 -15.874 1.00 14.03 C ATOM 0 H THR A 66 -0.099 3.826 -13.685 1.00 71.24 H new ATOM 0 HA THR A 66 2.825 3.480 -13.821 1.00 44.12 H new ATOM 0 HB THR A 66 1.557 1.471 -14.463 1.00 51.51 H new ATOM 0 HG1 THR A 66 3.085 1.244 -15.921 1.00 64.15 H new ATOM 0 HG21 THR A 66 0.081 1.495 -16.439 1.00 14.03 H new ATOM 0 HG22 THR A 66 -0.539 2.545 -15.143 1.00 14.03 H new ATOM 0 HG23 THR A 66 0.273 3.260 -16.556 1.00 14.03 H new ATOM 1065 N LEU A 67 3.168 5.318 -15.455 1.00 70.53 N ATOM 1066 CA LEU A 67 3.387 6.455 -16.342 1.00 64.23 C ATOM 1067 C LEU A 67 4.204 6.044 -17.563 1.00 62.51 C ATOM 1068 O LEU A 67 5.073 5.175 -17.478 1.00 4.31 O ATOM 1069 CB LEU A 67 4.101 7.581 -15.593 1.00 2.03 C ATOM 1070 CG LEU A 67 3.674 7.796 -14.140 1.00 45.42 C ATOM 1071 CD1 LEU A 67 4.652 7.121 -13.191 1.00 33.41 C ATOM 1072 CD2 LEU A 67 3.568 9.282 -13.830 1.00 43.53 C ATOM 0 H LEU A 67 4.007 4.988 -14.977 1.00 70.53 H new ATOM 0 HA LEU A 67 2.415 6.812 -16.681 1.00 64.23 H new ATOM 0 HB2 LEU A 67 5.172 7.380 -15.610 1.00 2.03 H new ATOM 0 HB3 LEU A 67 3.943 8.511 -16.139 1.00 2.03 H new ATOM 0 HG LEU A 67 2.692 7.344 -13.999 1.00 45.42 H new ATOM 0 HD11 LEU A 67 4.332 7.285 -12.162 1.00 33.41 H new ATOM 0 HD12 LEU A 67 4.679 6.051 -13.397 1.00 33.41 H new ATOM 0 HD13 LEU A 67 5.647 7.543 -13.333 1.00 33.41 H new ATOM 0 HD21 LEU A 67 3.263 9.416 -12.792 1.00 43.53 H new ATOM 0 HD22 LEU A 67 4.536 9.757 -13.988 1.00 43.53 H new ATOM 0 HD23 LEU A 67 2.828 9.739 -14.487 1.00 43.53 H new ATOM 1084 N HIS A 68 3.921 6.674 -18.698 1.00 53.33 N ATOM 1085 CA HIS A 68 4.631 6.376 -19.937 1.00 21.13 C ATOM 1086 C HIS A 68 5.889 7.230 -20.060 1.00 65.35 C ATOM 1087 O HIS A 68 5.902 8.396 -19.665 1.00 4.14 O ATOM 1088 CB HIS A 68 3.720 6.612 -21.142 1.00 0.03 C ATOM 1089 CG HIS A 68 2.718 5.520 -21.358 1.00 12.22 C ATOM 1090 ND1 HIS A 68 3.004 4.186 -21.159 1.00 15.02 N ATOM 1091 CD2 HIS A 68 1.425 5.571 -21.757 1.00 3.24 C ATOM 1092 CE1 HIS A 68 1.931 3.463 -21.427 1.00 52.44 C ATOM 1093 NE2 HIS A 68 0.959 4.280 -21.792 1.00 12.10 N ATOM 0 H HIS A 68 3.205 7.395 -18.786 1.00 53.33 H new ATOM 0 HA HIS A 68 4.926 5.327 -19.915 1.00 21.13 H new ATOM 0 HB2 HIS A 68 3.193 7.557 -21.009 1.00 0.03 H new ATOM 0 HB3 HIS A 68 4.334 6.713 -22.037 1.00 0.03 H new ATOM 0 HD2 HIS A 68 0.865 6.461 -22.002 1.00 3.24 H new ATOM 0 HE1 HIS A 68 1.861 2.387 -21.359 1.00 52.44 H new ATOM 0 HE2 HIS A 68 0.015 3.997 -22.057 1.00 12.10 H new ATOM 1101 N LEU A 69 6.946 6.642 -20.611 1.00 73.51 N ATOM 1102 CA LEU A 69 8.210 7.348 -20.786 1.00 70.04 C ATOM 1103 C LEU A 69 8.583 7.439 -22.263 1.00 31.34 C ATOM 1104 O LEU A 69 8.563 6.440 -22.982 1.00 35.55 O ATOM 1105 CB LEU A 69 9.323 6.642 -20.010 1.00 1.31 C ATOM 1106 CG LEU A 69 10.106 7.509 -19.023 1.00 22.21 C ATOM 1107 CD1 LEU A 69 11.268 6.726 -18.431 1.00 42.31 C ATOM 1108 CD2 LEU A 69 10.605 8.775 -19.704 1.00 63.20 C ATOM 0 H LEU A 69 6.952 5.678 -20.944 1.00 73.51 H new ATOM 0 HA LEU A 69 8.090 8.359 -20.397 1.00 70.04 H new ATOM 0 HB2 LEU A 69 8.884 5.808 -19.462 1.00 1.31 H new ATOM 0 HB3 LEU A 69 10.026 6.217 -20.727 1.00 1.31 H new ATOM 0 HG LEU A 69 9.437 7.797 -18.212 1.00 22.21 H new ATOM 0 HD11 LEU A 69 11.814 7.359 -17.731 1.00 42.31 H new ATOM 0 HD12 LEU A 69 10.887 5.850 -17.907 1.00 42.31 H new ATOM 0 HD13 LEU A 69 11.937 6.408 -19.230 1.00 42.31 H new ATOM 0 HD21 LEU A 69 11.160 9.380 -18.987 1.00 63.20 H new ATOM 0 HD22 LEU A 69 11.258 8.508 -20.535 1.00 63.20 H new ATOM 0 HD23 LEU A 69 9.755 9.346 -20.079 1.00 63.20 H new ATOM 1120 N VAL A 70 8.925 8.643 -22.708 1.00 45.33 N ATOM 1121 CA VAL A 70 9.307 8.864 -24.098 1.00 51.40 C ATOM 1122 C VAL A 70 10.800 8.636 -24.301 1.00 5.10 C ATOM 1123 O VAL A 70 11.582 8.680 -23.350 1.00 15.55 O ATOM 1124 CB VAL A 70 8.949 10.290 -24.558 1.00 44.22 C ATOM 1125 CG1 VAL A 70 9.953 11.295 -24.012 1.00 73.25 C ATOM 1126 CG2 VAL A 70 8.885 10.359 -26.076 1.00 44.25 C ATOM 0 H VAL A 70 8.946 9.481 -22.127 1.00 45.33 H new ATOM 0 HA VAL A 70 8.748 8.145 -24.698 1.00 51.40 H new ATOM 0 HB VAL A 70 7.965 10.545 -24.164 1.00 44.22 H new ATOM 0 HG11 VAL A 70 9.684 12.297 -24.347 1.00 73.25 H new ATOM 0 HG12 VAL A 70 9.945 11.262 -22.923 1.00 73.25 H new ATOM 0 HG13 VAL A 70 10.950 11.047 -24.375 1.00 73.25 H new ATOM 0 HG21 VAL A 70 8.631 11.373 -26.384 1.00 44.25 H new ATOM 0 HG22 VAL A 70 9.854 10.085 -26.494 1.00 44.25 H new ATOM 0 HG23 VAL A 70 8.124 9.668 -26.440 1.00 44.25 H new ATOM 1136 N LEU A 71 11.192 8.392 -25.547 1.00 0.13 N ATOM 1137 CA LEU A 71 12.594 8.157 -25.876 1.00 54.00 C ATOM 1138 C LEU A 71 13.135 9.264 -26.775 1.00 10.34 C ATOM 1139 O LEU A 71 12.373 9.962 -27.445 1.00 21.43 O ATOM 1140 CB LEU A 71 12.756 6.801 -26.565 1.00 34.23 C ATOM 1141 CG LEU A 71 14.096 6.096 -26.353 1.00 11.14 C ATOM 1142 CD1 LEU A 71 13.901 4.590 -26.281 1.00 25.53 C ATOM 1143 CD2 LEU A 71 15.070 6.458 -27.464 1.00 62.53 C ATOM 0 H LEU A 71 10.559 8.352 -26.346 1.00 0.13 H new ATOM 0 HA LEU A 71 13.165 8.157 -24.947 1.00 54.00 H new ATOM 0 HB2 LEU A 71 11.962 6.141 -26.215 1.00 34.23 H new ATOM 0 HB3 LEU A 71 12.607 6.940 -27.636 1.00 34.23 H new ATOM 0 HG LEU A 71 14.516 6.432 -25.405 1.00 11.14 H new ATOM 0 HD11 LEU A 71 14.865 4.105 -26.130 1.00 25.53 H new ATOM 0 HD12 LEU A 71 13.239 4.348 -25.450 1.00 25.53 H new ATOM 0 HD13 LEU A 71 13.459 4.235 -27.212 1.00 25.53 H new ATOM 0 HD21 LEU A 71 16.018 5.947 -27.297 1.00 62.53 H new ATOM 0 HD22 LEU A 71 14.657 6.151 -28.425 1.00 62.53 H new ATOM 0 HD23 LEU A 71 15.234 7.536 -27.467 1.00 62.53 H new ATOM 1155 N ARG A 72 14.455 9.419 -26.785 1.00 71.50 N ATOM 1156 CA ARG A 72 15.098 10.440 -27.602 1.00 43.31 C ATOM 1157 C ARG A 72 15.924 9.805 -28.717 1.00 32.30 C ATOM 1158 O ARG A 72 16.882 9.076 -28.456 1.00 60.24 O ATOM 1159 CB ARG A 72 15.992 11.329 -26.735 1.00 14.21 C ATOM 1160 CG ARG A 72 16.913 10.550 -25.810 1.00 75.03 C ATOM 1161 CD ARG A 72 16.496 10.697 -24.355 1.00 53.23 C ATOM 1162 NE ARG A 72 16.567 9.429 -23.634 1.00 43.15 N ATOM 1163 CZ ARG A 72 16.046 9.239 -22.428 1.00 15.33 C ATOM 1164 NH1 ARG A 72 15.417 10.230 -21.810 1.00 40.02 N ATOM 1165 NH2 ARG A 72 16.152 8.056 -21.836 1.00 54.13 N ATOM 0 H ARG A 72 15.100 8.850 -26.236 1.00 71.50 H new ATOM 0 HA ARG A 72 14.317 11.051 -28.055 1.00 43.31 H new ATOM 0 HB2 ARG A 72 16.595 11.965 -27.383 1.00 14.21 H new ATOM 0 HB3 ARG A 72 15.363 11.988 -26.137 1.00 14.21 H new ATOM 0 HG2 ARG A 72 16.903 9.496 -26.088 1.00 75.03 H new ATOM 0 HG3 ARG A 72 17.937 10.902 -25.933 1.00 75.03 H new ATOM 0 HD2 ARG A 72 17.139 11.429 -23.866 1.00 53.23 H new ATOM 0 HD3 ARG A 72 15.478 11.085 -24.307 1.00 53.23 H new ATOM 0 HE ARG A 72 17.043 8.646 -24.082 1.00 43.15 H new ATOM 0 HH11 ARG A 72 15.333 11.141 -22.261 1.00 40.02 H new ATOM 0 HH12 ARG A 72 15.018 10.081 -20.883 1.00 40.02 H new ATOM 0 HH21 ARG A 72 16.634 7.291 -22.308 1.00 54.13 H new ATOM 0 HH22 ARG A 72 15.751 7.912 -20.909 1.00 54.13 H new ATOM 1179 N LEU A 73 15.546 10.085 -29.959 1.00 72.02 N ATOM 1180 CA LEU A 73 16.250 9.541 -31.115 1.00 24.53 C ATOM 1181 C LEU A 73 17.190 10.579 -31.719 1.00 10.43 C ATOM 1182 O LEU A 73 16.864 11.765 -31.779 1.00 1.03 O ATOM 1183 CB LEU A 73 15.250 9.066 -32.170 1.00 51.31 C ATOM 1184 CG LEU A 73 15.099 7.552 -32.319 1.00 53.13 C ATOM 1185 CD1 LEU A 73 13.892 7.219 -33.183 1.00 64.42 C ATOM 1186 CD2 LEU A 73 16.364 6.945 -32.909 1.00 55.41 C ATOM 0 H LEU A 73 14.755 10.686 -30.192 1.00 72.02 H new ATOM 0 HA LEU A 73 16.845 8.691 -30.779 1.00 24.53 H new ATOM 0 HB2 LEU A 73 14.273 9.486 -31.931 1.00 51.31 H new ATOM 0 HB3 LEU A 73 15.547 9.478 -33.134 1.00 51.31 H new ATOM 0 HG LEU A 73 14.942 7.122 -31.330 1.00 53.13 H new ATOM 0 HD11 LEU A 73 13.800 6.137 -33.278 1.00 64.42 H new ATOM 0 HD12 LEU A 73 12.991 7.620 -32.719 1.00 64.42 H new ATOM 0 HD13 LEU A 73 14.019 7.661 -34.171 1.00 64.42 H new ATOM 0 HD21 LEU A 73 16.238 5.867 -33.008 1.00 55.41 H new ATOM 0 HD22 LEU A 73 16.553 7.380 -33.891 1.00 55.41 H new ATOM 0 HD23 LEU A 73 17.208 7.153 -32.252 1.00 55.41 H new ATOM 1198 N ARG A 74 18.356 10.126 -32.167 1.00 30.43 N ATOM 1199 CA ARG A 74 19.342 11.016 -32.767 1.00 63.53 C ATOM 1200 C ARG A 74 19.576 10.658 -34.232 1.00 44.12 C ATOM 1201 O ARG A 74 20.161 9.622 -34.543 1.00 65.50 O ATOM 1202 CB ARG A 74 20.662 10.944 -31.997 1.00 32.54 C ATOM 1203 CG ARG A 74 21.027 12.240 -31.292 1.00 63.04 C ATOM 1204 CD ARG A 74 21.492 11.988 -29.867 1.00 33.35 C ATOM 1205 NE ARG A 74 22.041 13.192 -29.249 1.00 22.52 N ATOM 1206 CZ ARG A 74 22.618 13.206 -28.052 1.00 61.33 C ATOM 1207 NH1 ARG A 74 22.721 12.087 -27.349 1.00 34.43 N ATOM 1208 NH2 ARG A 74 23.094 14.341 -27.557 1.00 43.15 N ATOM 0 H ARG A 74 18.641 9.147 -32.126 1.00 30.43 H new ATOM 0 HA ARG A 74 18.955 12.034 -32.716 1.00 63.53 H new ATOM 0 HB2 ARG A 74 20.599 10.144 -31.259 1.00 32.54 H new ATOM 0 HB3 ARG A 74 21.462 10.678 -32.688 1.00 32.54 H new ATOM 0 HG2 ARG A 74 21.815 12.748 -31.848 1.00 63.04 H new ATOM 0 HG3 ARG A 74 20.164 12.905 -31.282 1.00 63.04 H new ATOM 0 HD2 ARG A 74 20.655 11.625 -29.271 1.00 33.35 H new ATOM 0 HD3 ARG A 74 22.248 11.203 -29.866 1.00 33.35 H new ATOM 0 HE ARG A 74 21.978 14.070 -29.764 1.00 22.52 H new ATOM 0 HH11 ARG A 74 22.357 11.212 -27.727 1.00 34.43 H new ATOM 0 HH12 ARG A 74 23.164 12.101 -26.431 1.00 34.43 H new ATOM 0 HH21 ARG A 74 23.017 15.204 -28.095 1.00 43.15 H new ATOM 0 HH22 ARG A 74 23.537 14.351 -26.638 1.00 43.15 H new ATOM 1222 N GLY A 75 19.114 11.525 -35.129 1.00 22.52 N ATOM 1223 CA GLY A 75 19.282 11.282 -36.550 1.00 4.33 C ATOM 1224 C GLY A 75 17.958 11.150 -37.276 1.00 44.40 C ATOM 1225 O GLY A 75 17.253 10.154 -37.120 1.00 3.51 O ATOM 0 H GLY A 75 18.627 12.391 -34.897 1.00 22.52 H new ATOM 0 HA2 GLY A 75 19.854 12.099 -36.990 1.00 4.33 H new ATOM 0 HA3 GLY A 75 19.864 10.372 -36.693 1.00 4.33 H new ATOM 1229 N GLY A 76 17.619 12.160 -38.072 1.00 74.31 N ATOM 1230 CA GLY A 76 16.370 12.133 -38.811 1.00 41.44 C ATOM 1231 C GLY A 76 16.175 13.371 -39.664 1.00 41.42 C ATOM 1232 O GLY A 76 15.172 13.460 -40.370 1.00 53.31 O ATOM 0 H GLY A 76 18.186 12.995 -38.218 1.00 74.31 H new ATOM 0 HA2 GLY A 76 16.347 11.249 -39.448 1.00 41.44 H new ATOM 0 HA3 GLY A 76 15.539 12.043 -38.111 1.00 41.44 H new TER 1236 GLY A 76