USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -40:sc= 0.913 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.108 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.605 (180deg=-0.792) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.703 (180deg=0.602) USER MOD Single : A 2 GLN : amide:sc= 0.95 K(o=0.95,f=-4.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 8:sc= 0.0157 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 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 160:sc=9.47e-05 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 25 ASN : amide:sc= 1.07 K(o=1.1,f=-0.038) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 0.978 (180deg=0.54) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 2.35 (180deg=2.32) USER MOD Single : A 31 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.011) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 1.29 (180deg=1.2) USER MOD Single : A 40 GLN : amide:sc= -3.09! K(o=-3.1!,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0607 K(o=-0.061,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= 0.555 (180deg=-0.0286) USER MOD Single : A 49 GLN : amide:sc= 0.341 K(o=0.34,f=-7.1!) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.619 USER MOD Single : A 60 ASN : amide:sc= -0.0706 K(o=-0.071,f=-0.81) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.248 31.572 16.843 1.00 0.00 N ATOM 2 CA MET A 1 13.378 31.003 18.191 1.00 0.00 C ATOM 3 C MET A 1 14.719 31.606 18.590 1.00 0.00 C ATOM 4 O MET A 1 15.686 31.445 17.831 1.00 0.00 O ATOM 5 CB MET A 1 13.341 29.473 18.101 1.00 0.00 C ATOM 6 CG MET A 1 13.569 28.761 19.440 1.00 0.00 C ATOM 7 SD MET A 1 13.252 26.975 19.510 1.00 0.00 S ATOM 8 CE MET A 1 14.899 26.238 19.493 1.00 0.00 C ATOM 0 H1 MET A 1 12.275 31.437 16.501 1.00 0.00 H new ATOM 0 H2 MET A 1 13.466 32.588 16.873 1.00 0.00 H new ATOM 0 H3 MET A 1 13.910 31.094 16.199 1.00 0.00 H new ATOM 0 HA MET A 1 12.596 31.222 18.919 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.375 29.167 17.699 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.101 29.143 17.392 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.604 28.930 19.738 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.939 29.243 20.188 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.814 25.160 19.354 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.480 26.665 18.676 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.399 26.443 20.439 1.00 0.00 H new ATOM 20 N GLN A 2 14.892 32.324 19.697 1.00 0.00 N ATOM 21 CA GLN A 2 16.158 32.717 20.264 1.00 0.00 C ATOM 22 C GLN A 2 16.607 31.715 21.333 1.00 0.00 C ATOM 23 O GLN A 2 15.744 31.144 21.998 1.00 0.00 O ATOM 24 CB GLN A 2 16.000 34.048 20.985 1.00 0.00 C ATOM 25 CG GLN A 2 16.239 35.199 20.013 1.00 0.00 C ATOM 26 CD GLN A 2 17.715 35.364 19.657 1.00 0.00 C ATOM 27 OE1 GLN A 2 18.462 35.554 20.615 1.00 0.00 O ATOM 28 NE2 GLN A 2 18.073 35.556 18.395 1.00 0.00 N ATOM 0 H GLN A 2 14.101 32.661 20.246 1.00 0.00 H new ATOM 0 HA GLN A 2 16.880 32.771 19.449 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.000 34.123 21.412 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.706 34.108 21.814 1.00 0.00 H new ATOM 0 HG2 GLN A 2 15.666 35.027 19.102 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.868 36.125 20.453 1.00 0.00 H new ATOM 0 HE21 GLN A 2 17.406 35.380 17.643 1.00 0.00 H new ATOM 0 HE22 GLN A 2 19.015 35.879 18.176 1.00 0.00 H new ATOM 37 N ILE A 3 17.874 31.310 21.360 1.00 0.00 N ATOM 38 CA ILE A 3 18.494 30.529 22.412 1.00 0.00 C ATOM 39 C ILE A 3 19.828 31.243 22.626 1.00 0.00 C ATOM 40 O ILE A 3 20.342 31.972 21.774 1.00 0.00 O ATOM 41 CB ILE A 3 18.522 29.060 22.004 1.00 0.00 C ATOM 42 CG1 ILE A 3 19.087 28.904 20.588 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.229 28.291 22.247 1.00 0.00 C ATOM 44 CD1 ILE A 3 19.724 27.527 20.363 1.00 0.00 C ATOM 0 H ILE A 3 18.525 31.532 20.607 1.00 0.00 H new ATOM 0 HA ILE A 3 17.974 30.481 23.369 1.00 0.00 H new ATOM 0 HB ILE A 3 19.210 28.567 22.691 1.00 0.00 H new ATOM 0 HG12 ILE A 3 18.288 29.055 19.862 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.831 29.680 20.409 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.354 27.258 21.923 1.00 0.00 H new ATOM 0 HG22 ILE A 3 16.988 28.312 23.310 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.419 28.753 21.682 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.109 27.466 19.345 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.542 27.384 21.070 1.00 0.00 H new ATOM 0 HD13 ILE A 3 18.974 26.750 20.514 1.00 0.00 H new ATOM 56 N PHE A 4 20.421 30.978 23.783 1.00 0.00 N ATOM 57 CA PHE A 4 21.595 31.641 24.310 1.00 0.00 C ATOM 58 C PHE A 4 22.794 30.707 24.489 1.00 0.00 C ATOM 59 O PHE A 4 22.628 29.538 24.830 1.00 0.00 O ATOM 60 CB PHE A 4 21.198 32.250 25.657 1.00 0.00 C ATOM 61 CG PHE A 4 20.103 33.269 25.488 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.176 34.312 24.553 1.00 0.00 C ATOM 63 CD2 PHE A 4 18.910 33.074 26.197 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.077 35.148 24.301 1.00 0.00 C ATOM 65 CE2 PHE A 4 17.873 33.996 26.053 1.00 0.00 C ATOM 66 CZ PHE A 4 17.912 34.982 25.051 1.00 0.00 C ATOM 0 H PHE A 4 20.072 30.253 24.410 1.00 0.00 H new ATOM 0 HA PHE A 4 21.919 32.398 23.596 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.865 31.462 26.332 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.067 32.719 26.118 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.098 34.475 24.015 1.00 0.00 H new ATOM 0 HD2 PHE A 4 18.795 32.220 26.848 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.132 35.909 23.537 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.026 33.952 26.722 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.049 35.604 24.864 1.00 0.00 H new ATOM 76 N VAL A 5 23.991 31.286 24.350 1.00 0.00 N ATOM 77 CA VAL A 5 25.301 30.747 24.664 1.00 0.00 C ATOM 78 C VAL A 5 26.238 31.801 25.264 1.00 0.00 C ATOM 79 O VAL A 5 26.015 33.007 25.264 1.00 0.00 O ATOM 80 CB VAL A 5 25.822 29.859 23.536 1.00 0.00 C ATOM 81 CG1 VAL A 5 25.042 28.544 23.400 1.00 0.00 C ATOM 82 CG2 VAL A 5 26.000 30.514 22.167 1.00 0.00 C ATOM 0 H VAL A 5 24.064 32.233 23.979 1.00 0.00 H new ATOM 0 HA VAL A 5 25.228 30.044 25.494 1.00 0.00 H new ATOM 0 HB VAL A 5 26.836 29.647 23.876 1.00 0.00 H new ATOM 0 HG11 VAL A 5 25.459 27.956 22.582 1.00 0.00 H new ATOM 0 HG12 VAL A 5 25.118 27.978 24.329 1.00 0.00 H new ATOM 0 HG13 VAL A 5 23.994 28.762 23.193 1.00 0.00 H new ATOM 0 HG21 VAL A 5 26.375 29.777 21.457 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.041 30.897 21.820 1.00 0.00 H new ATOM 0 HG23 VAL A 5 26.712 31.336 22.247 1.00 0.00 H new ATOM 92 N LYS A 6 27.310 31.287 25.844 1.00 0.00 N ATOM 93 CA LYS A 6 28.202 32.075 26.661 1.00 0.00 C ATOM 94 C LYS A 6 29.590 31.444 26.505 1.00 0.00 C ATOM 95 O LYS A 6 29.640 30.228 26.314 1.00 0.00 O ATOM 96 CB LYS A 6 27.668 32.078 28.096 1.00 0.00 C ATOM 97 CG LYS A 6 28.396 32.782 29.230 1.00 0.00 C ATOM 98 CD LYS A 6 28.362 32.290 30.678 1.00 0.00 C ATOM 99 CE LYS A 6 29.241 33.163 31.573 1.00 0.00 C ATOM 100 NZ LYS A 6 29.774 32.443 32.741 1.00 0.00 N ATOM 0 H LYS A 6 27.582 30.308 25.758 1.00 0.00 H new ATOM 0 HA LYS A 6 28.269 33.122 26.366 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.665 32.503 28.056 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.561 31.035 28.393 1.00 0.00 H new ATOM 0 HG2 LYS A 6 29.447 32.825 28.943 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.028 33.808 29.244 1.00 0.00 H new ATOM 0 HD2 LYS A 6 27.336 32.302 31.046 1.00 0.00 H new ATOM 0 HD3 LYS A 6 28.704 31.256 30.723 1.00 0.00 H new ATOM 0 HE2 LYS A 6 30.071 33.554 30.985 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.661 34.020 31.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 30.361 33.088 33.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 28.986 32.092 33.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 30.352 31.640 32.420 1.00 0.00 H new ATOM 114 N THR A 7 30.664 32.218 26.450 1.00 0.00 N ATOM 115 CA THR A 7 32.061 31.839 26.400 1.00 0.00 C ATOM 116 C THR A 7 32.844 32.742 27.346 1.00 0.00 C ATOM 117 O THR A 7 32.306 33.123 28.376 1.00 0.00 O ATOM 118 CB THR A 7 32.475 31.846 24.933 1.00 0.00 C ATOM 119 OG1 THR A 7 32.178 32.980 24.151 1.00 0.00 O ATOM 120 CG2 THR A 7 32.142 30.633 24.060 1.00 0.00 C ATOM 0 H THR A 7 30.563 33.233 26.438 1.00 0.00 H new ATOM 0 HA THR A 7 32.271 30.832 26.760 1.00 0.00 H new ATOM 0 HB THR A 7 33.537 31.834 25.180 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.832 33.693 24.727 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.506 30.803 23.047 1.00 0.00 H new ATOM 0 HG22 THR A 7 32.620 29.745 24.473 1.00 0.00 H new ATOM 0 HG23 THR A 7 31.062 30.487 24.037 1.00 0.00 H new ATOM 128 N LEU A 8 34.085 33.130 27.064 1.00 0.00 N ATOM 129 CA LEU A 8 34.960 33.792 28.015 1.00 0.00 C ATOM 130 C LEU A 8 34.863 35.307 27.784 1.00 0.00 C ATOM 131 O LEU A 8 34.449 36.013 28.699 1.00 0.00 O ATOM 132 CB LEU A 8 36.399 33.316 27.828 1.00 0.00 C ATOM 133 CG LEU A 8 36.763 31.852 27.566 1.00 0.00 C ATOM 134 CD1 LEU A 8 38.273 31.701 27.354 1.00 0.00 C ATOM 135 CD2 LEU A 8 36.257 30.907 28.655 1.00 0.00 C ATOM 0 H LEU A 8 34.514 32.988 26.150 1.00 0.00 H new ATOM 0 HA LEU A 8 34.656 33.552 29.034 1.00 0.00 H new ATOM 0 HB2 LEU A 8 36.810 33.891 26.998 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.943 33.615 28.724 1.00 0.00 H new ATOM 0 HG LEU A 8 36.251 31.558 26.650 1.00 0.00 H new ATOM 0 HD11 LEU A 8 38.512 30.654 27.169 1.00 0.00 H new ATOM 0 HD12 LEU A 8 38.582 32.300 26.497 1.00 0.00 H new ATOM 0 HD13 LEU A 8 38.801 32.042 28.244 1.00 0.00 H new ATOM 0 HD21 LEU A 8 36.546 29.884 28.413 1.00 0.00 H new ATOM 0 HD22 LEU A 8 36.693 31.190 29.613 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.171 30.972 28.717 1.00 0.00 H new ATOM 147 N THR A 9 35.104 35.776 26.568 1.00 0.00 N ATOM 148 CA THR A 9 35.063 37.163 26.162 1.00 0.00 C ATOM 149 C THR A 9 33.672 37.665 25.782 1.00 0.00 C ATOM 150 O THR A 9 33.341 38.833 25.945 1.00 0.00 O ATOM 151 CB THR A 9 36.007 37.319 24.970 1.00 0.00 C ATOM 152 OG1 THR A 9 35.708 36.522 23.848 1.00 0.00 O ATOM 153 CG2 THR A 9 37.511 37.181 25.234 1.00 0.00 C ATOM 0 H THR A 9 35.348 35.156 25.796 1.00 0.00 H new ATOM 0 HA THR A 9 35.366 37.767 27.017 1.00 0.00 H new ATOM 0 HB THR A 9 35.798 38.367 24.755 1.00 0.00 H new ATOM 0 HG1 THR A 9 36.364 36.693 23.141 1.00 0.00 H new ATOM 0 HG21 THR A 9 38.058 37.315 24.301 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.826 37.939 25.951 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.720 36.191 25.638 1.00 0.00 H new ATOM 161 N GLY A 10 32.860 36.713 25.335 1.00 0.00 N ATOM 162 CA GLY A 10 31.462 36.940 25.010 1.00 0.00 C ATOM 163 C GLY A 10 30.644 36.239 26.096 1.00 0.00 C ATOM 164 O GLY A 10 30.805 35.044 26.323 1.00 0.00 O ATOM 0 H GLY A 10 33.161 35.750 25.187 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.238 38.006 24.983 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.223 36.539 24.025 1.00 0.00 H new ATOM 168 N LYS A 11 29.769 36.984 26.770 1.00 0.00 N ATOM 169 CA LYS A 11 28.959 36.599 27.901 1.00 0.00 C ATOM 170 C LYS A 11 27.535 36.358 27.384 1.00 0.00 C ATOM 171 O LYS A 11 26.845 35.490 27.909 1.00 0.00 O ATOM 172 CB LYS A 11 28.993 37.654 28.996 1.00 0.00 C ATOM 173 CG LYS A 11 28.919 39.141 28.623 1.00 0.00 C ATOM 174 CD LYS A 11 28.862 40.193 29.731 1.00 0.00 C ATOM 175 CE LYS A 11 28.596 41.554 29.098 1.00 0.00 C ATOM 176 NZ LYS A 11 28.187 42.559 30.096 1.00 0.00 N ATOM 0 H LYS A 11 29.602 37.955 26.507 1.00 0.00 H new ATOM 0 HA LYS A 11 29.350 35.688 28.355 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.165 37.447 29.673 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.913 37.506 29.562 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.787 39.366 28.003 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.037 39.277 27.997 1.00 0.00 H new ATOM 0 HD2 LYS A 11 28.076 39.948 30.445 1.00 0.00 H new ATOM 0 HD3 LYS A 11 29.801 40.210 30.284 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.495 41.897 28.586 1.00 0.00 H new ATOM 0 HE3 LYS A 11 27.817 41.456 28.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 28.016 43.469 29.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 27.315 42.245 30.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 28.941 42.673 30.803 1.00 0.00 H new ATOM 190 N THR A 12 27.097 37.028 26.316 1.00 0.00 N ATOM 191 CA THR A 12 25.774 36.972 25.724 1.00 0.00 C ATOM 192 C THR A 12 26.032 36.923 24.209 1.00 0.00 C ATOM 193 O THR A 12 26.007 38.019 23.657 1.00 0.00 O ATOM 194 CB THR A 12 24.889 38.103 26.251 1.00 0.00 C ATOM 195 OG1 THR A 12 24.765 37.987 27.656 1.00 0.00 O ATOM 196 CG2 THR A 12 23.457 37.975 25.735 1.00 0.00 C ATOM 0 H THR A 12 27.709 37.669 25.811 1.00 0.00 H new ATOM 0 HA THR A 12 25.185 36.096 25.997 1.00 0.00 H new ATOM 0 HB THR A 12 25.350 39.037 25.931 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.200 38.712 27.995 1.00 0.00 H new ATOM 0 HG21 THR A 12 22.854 38.794 26.128 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.458 38.015 24.646 1.00 0.00 H new ATOM 0 HG23 THR A 12 23.036 37.025 26.063 1.00 0.00 H new ATOM 204 N ILE A 13 26.030 35.718 23.657 1.00 0.00 N ATOM 205 CA ILE A 13 25.947 35.345 22.259 1.00 0.00 C ATOM 206 C ILE A 13 24.478 34.907 22.227 1.00 0.00 C ATOM 207 O ILE A 13 24.155 33.897 22.836 1.00 0.00 O ATOM 208 CB ILE A 13 26.909 34.199 21.943 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.323 34.722 22.152 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.853 33.522 20.570 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.313 33.585 22.419 1.00 0.00 C ATOM 0 H ILE A 13 26.094 34.889 24.247 1.00 0.00 H new ATOM 0 HA ILE A 13 26.215 36.112 21.532 1.00 0.00 H new ATOM 0 HB ILE A 13 26.588 33.405 22.617 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.639 35.280 21.271 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.333 35.418 22.991 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.604 32.734 20.522 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.864 33.091 20.417 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.051 34.260 19.792 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.311 33.998 22.563 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.012 33.043 23.316 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.322 32.903 21.569 1.00 0.00 H new ATOM 223 N THR A 14 23.638 35.701 21.570 1.00 0.00 N ATOM 224 CA THR A 14 22.235 35.504 21.263 1.00 0.00 C ATOM 225 C THR A 14 22.347 34.718 19.947 1.00 0.00 C ATOM 226 O THR A 14 23.201 34.968 19.104 1.00 0.00 O ATOM 227 CB THR A 14 21.677 36.898 20.997 1.00 0.00 C ATOM 228 OG1 THR A 14 22.273 37.689 19.990 1.00 0.00 O ATOM 229 CG2 THR A 14 21.542 37.904 22.140 1.00 0.00 C ATOM 0 H THR A 14 23.965 36.594 21.202 1.00 0.00 H new ATOM 0 HA THR A 14 21.617 35.011 22.013 1.00 0.00 H new ATOM 0 HB THR A 14 20.713 36.479 20.709 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.647 38.389 19.710 1.00 0.00 H new ATOM 0 HG21 THR A 14 21.128 38.837 21.757 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.879 37.499 22.905 1.00 0.00 H new ATOM 0 HG23 THR A 14 22.523 38.095 22.575 1.00 0.00 H new ATOM 237 N LEU A 15 21.620 33.611 19.829 1.00 0.00 N ATOM 238 CA LEU A 15 21.669 32.707 18.708 1.00 0.00 C ATOM 239 C LEU A 15 20.193 32.555 18.307 1.00 0.00 C ATOM 240 O LEU A 15 19.281 32.208 19.049 1.00 0.00 O ATOM 241 CB LEU A 15 22.273 31.369 19.151 1.00 0.00 C ATOM 242 CG LEU A 15 22.874 30.532 18.020 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.371 30.811 17.937 1.00 0.00 C ATOM 244 CD2 LEU A 15 22.666 29.039 18.259 1.00 0.00 C ATOM 0 H LEU A 15 20.957 33.317 20.546 1.00 0.00 H new ATOM 0 HA LEU A 15 22.285 33.060 17.881 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.048 31.564 19.892 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.499 30.783 19.646 1.00 0.00 H new ATOM 0 HG LEU A 15 22.374 30.806 17.091 1.00 0.00 H new ATOM 0 HD11 LEU A 15 24.808 30.218 17.133 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.533 31.870 17.736 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.844 30.544 18.882 1.00 0.00 H new ATOM 0 HD21 LEU A 15 23.105 28.474 17.437 1.00 0.00 H new ATOM 0 HD22 LEU A 15 23.145 28.750 19.194 1.00 0.00 H new ATOM 0 HD23 LEU A 15 21.599 28.825 18.317 1.00 0.00 H new ATOM 256 N GLU A 16 20.014 32.947 17.048 1.00 0.00 N ATOM 257 CA GLU A 16 18.812 33.017 16.245 1.00 0.00 C ATOM 258 C GLU A 16 18.778 31.713 15.434 1.00 0.00 C ATOM 259 O GLU A 16 19.670 31.349 14.661 1.00 0.00 O ATOM 260 CB GLU A 16 18.959 34.222 15.317 1.00 0.00 C ATOM 261 CG GLU A 16 17.819 34.551 14.345 1.00 0.00 C ATOM 262 CD GLU A 16 16.485 34.891 14.995 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.509 35.424 16.122 1.00 0.00 O ATOM 264 OE2 GLU A 16 15.408 34.676 14.389 1.00 0.00 O ATOM 0 H GLU A 16 20.818 33.262 16.504 1.00 0.00 H new ATOM 0 HA GLU A 16 17.899 33.127 16.831 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.124 35.100 15.941 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.864 34.075 14.727 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.126 35.392 13.723 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.674 33.699 13.680 1.00 0.00 H new ATOM 271 N VAL A 17 17.734 30.904 15.591 1.00 0.00 N ATOM 272 CA VAL A 17 17.568 29.555 15.101 1.00 0.00 C ATOM 273 C VAL A 17 16.099 29.374 14.694 1.00 0.00 C ATOM 274 O VAL A 17 15.249 29.999 15.321 1.00 0.00 O ATOM 275 CB VAL A 17 18.047 28.484 16.082 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.502 28.535 16.540 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.180 28.193 17.300 1.00 0.00 C ATOM 0 H VAL A 17 16.913 31.212 16.113 1.00 0.00 H new ATOM 0 HA VAL A 17 18.211 29.415 14.232 1.00 0.00 H new ATOM 0 HB VAL A 17 17.939 27.655 15.382 1.00 0.00 H new ATOM 0 HG11 VAL A 17 19.695 27.715 17.232 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.159 28.442 15.675 1.00 0.00 H new ATOM 0 HG13 VAL A 17 19.693 29.484 17.041 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.647 27.413 17.901 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.076 29.099 17.898 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.195 27.859 16.974 1.00 0.00 H new ATOM 287 N GLU A 18 15.811 28.397 13.845 1.00 0.00 N ATOM 288 CA GLU A 18 14.570 27.746 13.485 1.00 0.00 C ATOM 289 C GLU A 18 14.649 26.482 14.348 1.00 0.00 C ATOM 290 O GLU A 18 15.724 26.049 14.747 1.00 0.00 O ATOM 291 CB GLU A 18 14.538 27.492 11.977 1.00 0.00 C ATOM 292 CG GLU A 18 14.443 28.830 11.242 1.00 0.00 C ATOM 293 CD GLU A 18 14.581 28.687 9.739 1.00 0.00 C ATOM 294 OE1 GLU A 18 15.677 28.367 9.231 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.535 28.685 9.053 1.00 0.00 O ATOM 0 H GLU A 18 16.574 27.982 13.310 1.00 0.00 H new ATOM 0 HA GLU A 18 13.652 28.305 13.665 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.436 26.957 11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.687 26.862 11.721 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.486 29.298 11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.221 29.498 11.612 1.00 0.00 H new ATOM 302 N PRO A 19 13.523 25.903 14.764 1.00 0.00 N ATOM 303 CA PRO A 19 13.507 24.710 15.582 1.00 0.00 C ATOM 304 C PRO A 19 14.074 23.436 14.943 1.00 0.00 C ATOM 305 O PRO A 19 13.951 22.369 15.543 1.00 0.00 O ATOM 306 CB PRO A 19 12.083 24.627 16.150 1.00 0.00 C ATOM 307 CG PRO A 19 11.265 25.318 15.060 1.00 0.00 C ATOM 308 CD PRO A 19 12.189 26.379 14.473 1.00 0.00 C ATOM 0 HA PRO A 19 14.231 24.789 16.393 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.766 23.596 16.306 1.00 0.00 H new ATOM 0 HB3 PRO A 19 11.996 25.136 17.110 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.948 24.607 14.297 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.362 25.768 15.472 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.033 26.490 13.400 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.009 27.355 14.924 1.00 0.00 H new ATOM 316 N SER A 20 14.710 23.430 13.779 1.00 0.00 N ATOM 317 CA SER A 20 15.484 22.368 13.157 1.00 0.00 C ATOM 318 C SER A 20 16.892 22.752 12.686 1.00 0.00 C ATOM 319 O SER A 20 17.525 21.864 12.126 1.00 0.00 O ATOM 320 CB SER A 20 14.683 21.743 12.017 1.00 0.00 C ATOM 321 OG SER A 20 14.141 22.764 11.201 1.00 0.00 O ATOM 0 H SER A 20 14.693 24.259 13.185 1.00 0.00 H new ATOM 0 HA SER A 20 15.660 21.643 13.951 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.324 21.091 11.423 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.883 21.122 12.419 1.00 0.00 H new ATOM 0 HG SER A 20 13.629 22.361 10.469 1.00 0.00 H new ATOM 327 N ASP A 21 17.477 23.861 13.133 1.00 0.00 N ATOM 328 CA ASP A 21 18.912 24.082 13.111 1.00 0.00 C ATOM 329 C ASP A 21 19.870 22.949 13.475 1.00 0.00 C ATOM 330 O ASP A 21 19.796 22.435 14.586 1.00 0.00 O ATOM 331 CB ASP A 21 19.334 25.372 13.820 1.00 0.00 C ATOM 332 CG ASP A 21 19.138 26.719 13.132 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.017 27.166 12.815 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.186 27.398 13.096 1.00 0.00 O ATOM 0 H ASP A 21 16.953 24.642 13.527 1.00 0.00 H new ATOM 0 HA ASP A 21 19.041 24.159 12.031 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.798 25.411 14.768 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.394 25.280 14.057 1.00 0.00 H new ATOM 339 N THR A 22 20.738 22.468 12.583 1.00 0.00 N ATOM 340 CA THR A 22 21.717 21.414 12.743 1.00 0.00 C ATOM 341 C THR A 22 22.876 21.941 13.596 1.00 0.00 C ATOM 342 O THR A 22 23.169 23.140 13.549 1.00 0.00 O ATOM 343 CB THR A 22 22.323 21.111 11.367 1.00 0.00 C ATOM 344 OG1 THR A 22 22.788 22.175 10.561 1.00 0.00 O ATOM 345 CG2 THR A 22 21.346 20.314 10.500 1.00 0.00 C ATOM 0 H THR A 22 20.768 22.852 11.639 1.00 0.00 H new ATOM 0 HA THR A 22 21.243 20.542 13.193 1.00 0.00 H new ATOM 0 HB THR A 22 23.217 20.566 11.671 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.145 21.817 9.721 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.801 20.113 9.530 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.109 19.371 10.992 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.431 20.890 10.359 1.00 0.00 H new ATOM 353 N ILE A 23 23.515 21.026 14.314 1.00 0.00 N ATOM 354 CA ILE A 23 24.679 21.235 15.142 1.00 0.00 C ATOM 355 C ILE A 23 25.748 21.966 14.341 1.00 0.00 C ATOM 356 O ILE A 23 26.328 22.922 14.864 1.00 0.00 O ATOM 357 CB ILE A 23 25.144 20.020 15.945 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.111 19.671 17.013 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.578 20.181 16.457 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.438 20.047 18.468 1.00 0.00 C ATOM 0 H ILE A 23 23.206 20.054 14.329 1.00 0.00 H new ATOM 0 HA ILE A 23 24.393 21.892 15.963 1.00 0.00 H new ATOM 0 HB ILE A 23 25.201 19.153 15.287 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.172 20.155 16.744 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.938 18.596 16.974 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.865 19.294 17.022 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.254 20.307 15.611 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.637 21.057 17.103 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.617 19.740 19.116 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.353 19.542 18.777 1.00 0.00 H new ATOM 0 HD13 ILE A 23 24.576 21.126 18.543 1.00 0.00 H new ATOM 372 N GLU A 24 25.910 21.579 13.078 1.00 0.00 N ATOM 373 CA GLU A 24 26.735 22.252 12.088 1.00 0.00 C ATOM 374 C GLU A 24 26.415 23.718 11.789 1.00 0.00 C ATOM 375 O GLU A 24 27.247 24.618 11.813 1.00 0.00 O ATOM 376 CB GLU A 24 26.761 21.381 10.831 1.00 0.00 C ATOM 377 CG GLU A 24 27.853 21.731 9.826 1.00 0.00 C ATOM 378 CD GLU A 24 29.223 21.315 10.318 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.383 20.364 11.121 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.231 21.896 9.859 1.00 0.00 O ATOM 0 H GLU A 24 25.448 20.750 12.704 1.00 0.00 H new ATOM 0 HA GLU A 24 27.728 22.349 12.528 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.884 20.340 11.131 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.794 21.457 10.335 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.643 21.240 8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 24 27.844 22.805 9.639 1.00 0.00 H new ATOM 387 N ASN A 25 25.147 24.096 11.687 1.00 0.00 N ATOM 388 CA ASN A 25 24.695 25.470 11.586 1.00 0.00 C ATOM 389 C ASN A 25 24.976 26.309 12.832 1.00 0.00 C ATOM 390 O ASN A 25 25.483 27.413 12.623 1.00 0.00 O ATOM 391 CB ASN A 25 23.170 25.445 11.421 1.00 0.00 C ATOM 392 CG ASN A 25 22.595 26.367 10.346 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.164 26.497 9.267 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.564 27.110 10.713 1.00 0.00 N ATOM 0 H ASN A 25 24.379 23.425 11.672 1.00 0.00 H new ATOM 0 HA ASN A 25 25.232 25.917 10.749 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.866 24.423 11.195 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.717 25.708 12.377 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.207 27.832 10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.126 26.961 11.622 1.00 0.00 H new ATOM 401 N VAL A 26 24.645 25.911 14.053 1.00 0.00 N ATOM 402 CA VAL A 26 25.111 26.573 15.250 1.00 0.00 C ATOM 403 C VAL A 26 26.619 26.833 15.224 1.00 0.00 C ATOM 404 O VAL A 26 26.995 27.968 15.522 1.00 0.00 O ATOM 405 CB VAL A 26 24.737 25.617 16.390 1.00 0.00 C ATOM 406 CG1 VAL A 26 25.217 26.192 17.713 1.00 0.00 C ATOM 407 CG2 VAL A 26 23.233 25.374 16.490 1.00 0.00 C ATOM 0 H VAL A 26 24.039 25.111 14.235 1.00 0.00 H new ATOM 0 HA VAL A 26 24.658 27.558 15.360 1.00 0.00 H new ATOM 0 HB VAL A 26 25.219 24.664 16.172 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.951 25.513 18.523 1.00 0.00 H new ATOM 0 HG12 VAL A 26 26.299 26.316 17.684 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.745 27.160 17.882 1.00 0.00 H new ATOM 0 HG21 VAL A 26 23.029 24.690 17.314 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.723 26.320 16.669 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.872 24.938 15.559 1.00 0.00 H new ATOM 417 N LYS A 27 27.469 25.840 15.003 1.00 0.00 N ATOM 418 CA LYS A 27 28.901 25.898 14.758 1.00 0.00 C ATOM 419 C LYS A 27 29.347 26.825 13.634 1.00 0.00 C ATOM 420 O LYS A 27 30.243 27.643 13.870 1.00 0.00 O ATOM 421 CB LYS A 27 29.512 24.503 14.636 1.00 0.00 C ATOM 422 CG LYS A 27 29.302 23.574 15.827 1.00 0.00 C ATOM 423 CD LYS A 27 29.926 22.177 15.733 1.00 0.00 C ATOM 424 CE LYS A 27 29.965 21.266 16.962 1.00 0.00 C ATOM 425 NZ LYS A 27 30.385 19.875 16.715 1.00 0.00 N ATOM 0 H LYS A 27 27.137 24.876 14.990 1.00 0.00 H new ATOM 0 HA LYS A 27 29.304 26.373 15.653 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.098 24.023 13.749 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.584 24.611 14.469 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.700 24.065 16.715 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.229 23.457 15.982 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.395 21.638 14.948 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.954 22.305 15.393 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.641 21.705 17.695 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.972 21.252 17.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.965 19.253 17.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.065 19.578 15.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.422 19.811 16.765 1.00 0.00 H new ATOM 439 N ALA A 28 28.795 26.860 12.419 1.00 0.00 N ATOM 440 CA ALA A 28 28.864 27.956 11.473 1.00 0.00 C ATOM 441 C ALA A 28 28.505 29.365 11.950 1.00 0.00 C ATOM 442 O ALA A 28 29.335 30.261 11.841 1.00 0.00 O ATOM 443 CB ALA A 28 28.151 27.607 10.163 1.00 0.00 C ATOM 0 H ALA A 28 28.258 26.073 12.056 1.00 0.00 H new ATOM 0 HA ALA A 28 29.939 28.047 11.316 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.221 28.450 9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.622 26.732 9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.102 27.390 10.366 1.00 0.00 H new ATOM 449 N LYS A 29 27.324 29.489 12.550 1.00 0.00 N ATOM 450 CA LYS A 29 26.679 30.682 13.042 1.00 0.00 C ATOM 451 C LYS A 29 27.524 31.325 14.148 1.00 0.00 C ATOM 452 O LYS A 29 27.386 32.514 14.420 1.00 0.00 O ATOM 453 CB LYS A 29 25.240 30.459 13.516 1.00 0.00 C ATOM 454 CG LYS A 29 24.203 30.362 12.391 1.00 0.00 C ATOM 455 CD LYS A 29 22.764 30.361 12.904 1.00 0.00 C ATOM 456 CE LYS A 29 21.667 30.405 11.845 1.00 0.00 C ATOM 457 NZ LYS A 29 20.451 29.973 12.556 1.00 0.00 N ATOM 0 H LYS A 29 26.744 28.666 12.716 1.00 0.00 H new ATOM 0 HA LYS A 29 26.607 31.362 12.193 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.204 29.543 14.105 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.960 31.276 14.180 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.338 31.199 11.706 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.380 29.451 11.819 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.618 29.467 13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.636 31.219 13.564 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.552 31.408 11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.895 29.743 11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.613 30.359 12.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.401 28.934 12.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.480 30.321 13.536 1.00 0.00 H new ATOM 471 N ILE A 30 28.233 30.542 14.960 1.00 0.00 N ATOM 472 CA ILE A 30 29.199 30.917 15.980 1.00 0.00 C ATOM 473 C ILE A 30 30.486 31.306 15.250 1.00 0.00 C ATOM 474 O ILE A 30 31.011 32.375 15.525 1.00 0.00 O ATOM 475 CB ILE A 30 29.448 29.763 16.950 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.189 29.605 17.809 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.784 29.665 17.687 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.210 28.306 18.623 1.00 0.00 C ATOM 0 H ILE A 30 28.131 29.528 14.911 1.00 0.00 H new ATOM 0 HA ILE A 30 28.826 31.750 16.577 1.00 0.00 H new ATOM 0 HB ILE A 30 29.615 28.878 16.336 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.102 30.455 18.485 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.308 29.617 17.167 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.781 28.785 18.330 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.594 29.582 16.962 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.931 30.558 18.294 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.299 28.234 19.217 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.270 27.454 17.946 1.00 0.00 H new ATOM 0 HD13 ILE A 30 29.076 28.305 19.285 1.00 0.00 H new ATOM 490 N GLN A 31 31.025 30.542 14.296 1.00 0.00 N ATOM 491 CA GLN A 31 32.192 30.796 13.478 1.00 0.00 C ATOM 492 C GLN A 31 32.177 32.179 12.821 1.00 0.00 C ATOM 493 O GLN A 31 33.200 32.838 13.000 1.00 0.00 O ATOM 494 CB GLN A 31 32.499 29.697 12.468 1.00 0.00 C ATOM 495 CG GLN A 31 33.887 29.848 11.835 1.00 0.00 C ATOM 496 CD GLN A 31 34.020 28.942 10.618 1.00 0.00 C ATOM 497 OE1 GLN A 31 35.016 28.269 10.381 1.00 0.00 O ATOM 498 NE2 GLN A 31 33.112 29.061 9.656 1.00 0.00 N ATOM 0 H GLN A 31 30.605 29.642 14.062 1.00 0.00 H new ATOM 0 HA GLN A 31 33.020 30.787 14.187 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.432 28.727 12.961 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.743 29.709 11.683 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.049 30.886 11.543 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.656 29.599 12.567 1.00 0.00 H new ATOM 0 HE21 GLN A 31 32.269 29.613 9.816 1.00 0.00 H new ATOM 0 HE22 GLN A 31 33.257 28.600 8.758 1.00 0.00 H new ATOM 507 N ASP A 32 31.087 32.567 12.170 1.00 0.00 N ATOM 508 CA ASP A 32 30.876 33.765 11.377 1.00 0.00 C ATOM 509 C ASP A 32 31.301 35.072 12.057 1.00 0.00 C ATOM 510 O ASP A 32 31.839 35.952 11.404 1.00 0.00 O ATOM 511 CB ASP A 32 29.416 33.872 10.958 1.00 0.00 C ATOM 512 CG ASP A 32 28.939 35.032 10.105 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.488 35.227 8.990 1.00 0.00 O ATOM 514 OD2 ASP A 32 28.068 35.800 10.577 1.00 0.00 O ATOM 0 H ASP A 32 30.246 31.990 12.188 1.00 0.00 H new ATOM 0 HA ASP A 32 31.527 33.647 10.510 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.168 32.956 10.422 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.820 33.878 11.871 1.00 0.00 H new ATOM 519 N LYS A 33 31.142 35.018 13.375 1.00 0.00 N ATOM 520 CA LYS A 33 31.487 36.086 14.303 1.00 0.00 C ATOM 521 C LYS A 33 32.770 35.760 15.069 1.00 0.00 C ATOM 522 O LYS A 33 33.779 36.450 14.989 1.00 0.00 O ATOM 523 CB LYS A 33 30.364 36.161 15.347 1.00 0.00 C ATOM 524 CG LYS A 33 29.216 37.112 14.999 1.00 0.00 C ATOM 525 CD LYS A 33 28.117 36.638 14.053 1.00 0.00 C ATOM 526 CE LYS A 33 27.244 37.642 13.304 1.00 0.00 C ATOM 527 NZ LYS A 33 26.370 37.132 12.236 1.00 0.00 N ATOM 0 H LYS A 33 30.755 34.198 13.842 1.00 0.00 H new ATOM 0 HA LYS A 33 31.621 37.011 13.743 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.956 35.161 15.491 1.00 0.00 H new ATOM 0 HB3 LYS A 33 30.795 36.470 16.300 1.00 0.00 H new ATOM 0 HG2 LYS A 33 28.739 37.407 15.934 1.00 0.00 H new ATOM 0 HG3 LYS A 33 29.655 38.012 14.567 1.00 0.00 H new ATOM 0 HD2 LYS A 33 28.591 36.004 13.304 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.448 36.001 14.632 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.616 38.150 14.036 1.00 0.00 H new ATOM 0 HE3 LYS A 33 27.900 38.396 12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.863 37.925 11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.945 36.646 11.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.683 36.464 12.639 1.00 0.00 H new ATOM 541 N GLU A 34 32.717 34.707 15.876 1.00 0.00 N ATOM 542 CA GLU A 34 33.667 34.561 16.961 1.00 0.00 C ATOM 543 C GLU A 34 35.021 33.990 16.534 1.00 0.00 C ATOM 544 O GLU A 34 36.062 34.290 17.098 1.00 0.00 O ATOM 545 CB GLU A 34 32.993 33.565 17.912 1.00 0.00 C ATOM 546 CG GLU A 34 31.756 34.087 18.652 1.00 0.00 C ATOM 547 CD GLU A 34 31.863 35.430 19.355 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.865 35.658 20.067 1.00 0.00 O ATOM 549 OE2 GLU A 34 30.998 36.307 19.168 1.00 0.00 O ATOM 0 H GLU A 34 32.034 33.953 15.798 1.00 0.00 H new ATOM 0 HA GLU A 34 33.889 35.537 17.392 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.706 32.682 17.341 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.727 33.242 18.651 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.938 34.149 17.934 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.472 33.342 19.395 1.00 0.00 H new ATOM 556 N GLY A 35 34.942 33.203 15.462 1.00 0.00 N ATOM 557 CA GLY A 35 36.124 32.712 14.767 1.00 0.00 C ATOM 558 C GLY A 35 36.308 31.240 15.137 1.00 0.00 C ATOM 559 O GLY A 35 37.269 30.615 14.687 1.00 0.00 O ATOM 0 H GLY A 35 34.060 32.891 15.055 1.00 0.00 H new ATOM 0 HA2 GLY A 35 36.006 32.823 13.689 1.00 0.00 H new ATOM 0 HA3 GLY A 35 37.003 33.290 15.053 1.00 0.00 H new ATOM 563 N ILE A 36 35.450 30.627 15.957 1.00 0.00 N ATOM 564 CA ILE A 36 35.736 29.298 16.460 1.00 0.00 C ATOM 565 C ILE A 36 35.358 28.290 15.363 1.00 0.00 C ATOM 566 O ILE A 36 34.177 28.233 15.037 1.00 0.00 O ATOM 567 CB ILE A 36 35.051 29.078 17.796 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.157 30.194 18.830 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.513 27.734 18.362 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.600 30.343 19.307 1.00 0.00 C ATOM 0 H ILE A 36 34.569 31.028 16.277 1.00 0.00 H new ATOM 0 HA ILE A 36 36.796 29.160 16.674 1.00 0.00 H new ATOM 0 HB ILE A 36 33.983 29.080 17.579 1.00 0.00 H new ATOM 0 HG12 ILE A 36 34.812 31.133 18.398 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.508 29.976 19.678 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.030 27.559 19.323 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.244 26.936 17.670 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.595 27.748 18.496 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.659 31.143 20.044 1.00 0.00 H new ATOM 0 HD12 ILE A 36 36.932 29.408 19.759 1.00 0.00 H new ATOM 0 HD13 ILE A 36 37.241 30.584 18.459 1.00 0.00 H new ATOM 582 N PRO A 37 36.267 27.449 14.883 1.00 0.00 N ATOM 583 CA PRO A 37 35.828 26.451 13.921 1.00 0.00 C ATOM 584 C PRO A 37 35.080 25.292 14.567 1.00 0.00 C ATOM 585 O PRO A 37 35.392 25.076 15.734 1.00 0.00 O ATOM 586 CB PRO A 37 37.120 25.954 13.270 1.00 0.00 C ATOM 587 CG PRO A 37 38.283 26.325 14.177 1.00 0.00 C ATOM 588 CD PRO A 37 37.702 27.428 15.065 1.00 0.00 C ATOM 0 HA PRO A 37 35.122 26.881 13.210 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.081 24.875 13.124 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.247 26.404 12.286 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.622 25.472 14.765 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.141 26.679 13.606 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.949 27.244 16.110 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.132 28.394 14.801 1.00 0.00 H new ATOM 596 N PRO A 38 34.212 24.546 13.877 1.00 0.00 N ATOM 597 CA PRO A 38 33.640 23.337 14.406 1.00 0.00 C ATOM 598 C PRO A 38 34.628 22.377 15.074 1.00 0.00 C ATOM 599 O PRO A 38 34.317 21.838 16.144 1.00 0.00 O ATOM 600 CB PRO A 38 33.069 22.627 13.176 1.00 0.00 C ATOM 601 CG PRO A 38 32.753 23.756 12.201 1.00 0.00 C ATOM 602 CD PRO A 38 33.740 24.874 12.549 1.00 0.00 C ATOM 0 HA PRO A 38 32.928 23.603 15.187 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.788 21.925 12.753 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.175 22.056 13.426 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.875 23.430 11.168 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.722 24.093 12.309 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.562 24.913 11.835 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.255 25.850 12.531 1.00 0.00 H new ATOM 610 N ASP A 39 35.924 22.458 14.771 1.00 0.00 N ATOM 611 CA ASP A 39 36.815 21.473 15.347 1.00 0.00 C ATOM 612 C ASP A 39 37.276 21.717 16.778 1.00 0.00 C ATOM 613 O ASP A 39 37.744 20.803 17.450 1.00 0.00 O ATOM 614 CB ASP A 39 38.045 21.527 14.453 1.00 0.00 C ATOM 615 CG ASP A 39 37.829 20.839 13.112 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.216 19.756 13.053 1.00 0.00 O ATOM 617 OD2 ASP A 39 38.428 21.294 12.107 1.00 0.00 O ATOM 0 H ASP A 39 36.355 23.156 14.165 1.00 0.00 H new ATOM 0 HA ASP A 39 36.279 20.525 15.397 1.00 0.00 H new ATOM 0 HB2 ASP A 39 38.319 22.568 14.282 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.883 21.057 14.967 1.00 0.00 H new ATOM 622 N GLN A 40 37.224 22.971 17.233 1.00 0.00 N ATOM 623 CA GLN A 40 37.907 23.322 18.456 1.00 0.00 C ATOM 624 C GLN A 40 36.954 23.522 19.640 1.00 0.00 C ATOM 625 O GLN A 40 37.432 23.766 20.740 1.00 0.00 O ATOM 626 CB GLN A 40 38.674 24.574 18.028 1.00 0.00 C ATOM 627 CG GLN A 40 39.678 24.988 19.101 1.00 0.00 C ATOM 628 CD GLN A 40 40.511 26.122 18.519 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.570 26.393 19.086 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.092 26.701 17.401 1.00 0.00 N ATOM 0 H GLN A 40 36.726 23.736 16.778 1.00 0.00 H new ATOM 0 HA GLN A 40 38.561 22.543 18.847 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.195 24.384 17.090 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.974 25.389 17.844 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.164 25.313 20.006 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.313 24.147 19.380 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.202 26.425 16.987 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.660 27.422 16.956 1.00 0.00 H new ATOM 639 N GLN A 41 35.663 23.282 19.411 1.00 0.00 N ATOM 640 CA GLN A 41 34.545 23.560 20.295 1.00 0.00 C ATOM 641 C GLN A 41 33.769 22.240 20.383 1.00 0.00 C ATOM 642 O GLN A 41 33.411 21.637 19.375 1.00 0.00 O ATOM 643 CB GLN A 41 33.720 24.646 19.604 1.00 0.00 C ATOM 644 CG GLN A 41 32.820 24.464 18.393 1.00 0.00 C ATOM 645 CD GLN A 41 32.162 25.789 17.997 1.00 0.00 C ATOM 646 OE1 GLN A 41 31.366 26.337 18.747 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.450 26.335 16.819 1.00 0.00 N ATOM 0 H GLN A 41 35.355 22.857 18.537 1.00 0.00 H new ATOM 0 HA GLN A 41 34.819 23.900 21.294 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.082 25.067 20.381 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.434 25.421 19.323 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.403 24.078 17.556 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.051 23.723 18.614 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.114 25.878 16.194 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.007 27.211 16.541 1.00 0.00 H new ATOM 656 N ARG A 42 33.528 21.867 21.636 1.00 0.00 N ATOM 657 CA ARG A 42 32.487 20.966 22.085 1.00 0.00 C ATOM 658 C ARG A 42 31.285 21.862 22.382 1.00 0.00 C ATOM 659 O ARG A 42 31.330 23.084 22.499 1.00 0.00 O ATOM 660 CB ARG A 42 33.034 20.264 23.326 1.00 0.00 C ATOM 661 CG ARG A 42 33.660 18.905 23.054 1.00 0.00 C ATOM 662 CD ARG A 42 34.031 18.183 24.349 1.00 0.00 C ATOM 663 NE ARG A 42 34.085 16.733 24.125 1.00 0.00 N ATOM 664 CZ ARG A 42 35.229 16.044 23.976 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.436 16.605 23.884 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.138 14.724 23.777 1.00 0.00 N ATOM 0 H ARG A 42 34.095 22.212 22.411 1.00 0.00 H new ATOM 0 HA ARG A 42 32.189 20.198 21.371 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.780 20.907 23.793 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.224 20.140 24.045 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.964 18.292 22.482 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.552 19.032 22.440 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.997 18.539 24.708 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.299 18.411 25.124 1.00 0.00 H new ATOM 0 HE ARG A 42 33.205 16.220 24.080 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.531 17.620 23.926 1.00 0.00 H new ATOM 0 HH12 ARG A 42 37.263 16.019 23.772 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.223 14.275 23.743 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.984 14.166 23.659 1.00 0.00 H new ATOM 680 N LEU A 43 30.168 21.167 22.611 1.00 0.00 N ATOM 681 CA LEU A 43 28.923 21.817 22.985 1.00 0.00 C ATOM 682 C LEU A 43 28.275 20.984 24.084 1.00 0.00 C ATOM 683 O LEU A 43 27.847 19.847 23.886 1.00 0.00 O ATOM 684 CB LEU A 43 28.275 22.188 21.659 1.00 0.00 C ATOM 685 CG LEU A 43 27.040 23.081 21.735 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.241 24.444 22.397 1.00 0.00 C ATOM 687 CD2 LEU A 43 26.563 23.347 20.303 1.00 0.00 C ATOM 0 H LEU A 43 30.107 20.151 22.542 1.00 0.00 H new ATOM 0 HA LEU A 43 28.916 22.775 23.505 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.021 22.688 21.042 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.000 21.268 21.143 1.00 0.00 H new ATOM 0 HG LEU A 43 26.329 22.539 22.358 1.00 0.00 H new ATOM 0 HD11 LEU A 43 26.299 24.992 22.395 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.577 24.304 23.424 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.991 25.010 21.844 1.00 0.00 H new ATOM 0 HD21 LEU A 43 25.679 23.984 20.326 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.354 23.844 19.742 1.00 0.00 H new ATOM 0 HD23 LEU A 43 26.316 22.401 19.820 1.00 0.00 H new ATOM 699 N ILE A 44 28.206 21.516 25.307 1.00 0.00 N ATOM 700 CA ILE A 44 27.532 20.978 26.473 1.00 0.00 C ATOM 701 C ILE A 44 26.166 21.672 26.503 1.00 0.00 C ATOM 702 O ILE A 44 25.929 22.854 26.306 1.00 0.00 O ATOM 703 CB ILE A 44 28.339 21.229 27.752 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.767 20.689 27.607 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.627 20.852 29.054 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.858 19.237 27.141 1.00 0.00 C ATOM 0 H ILE A 44 28.659 22.406 25.515 1.00 0.00 H new ATOM 0 HA ILE A 44 27.423 19.895 26.418 1.00 0.00 H new ATOM 0 HB ILE A 44 28.424 22.310 27.863 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.308 21.318 26.900 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.274 20.780 28.567 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.279 21.067 29.901 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.708 21.431 29.147 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.386 19.789 29.042 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.905 18.943 27.068 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.350 18.592 27.858 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.384 19.138 26.164 1.00 0.00 H new ATOM 718 N PHE A 45 25.176 20.863 26.868 1.00 0.00 N ATOM 719 CA PHE A 45 23.964 21.300 27.537 1.00 0.00 C ATOM 720 C PHE A 45 23.463 20.078 28.310 1.00 0.00 C ATOM 721 O PHE A 45 23.574 18.969 27.779 1.00 0.00 O ATOM 722 CB PHE A 45 23.060 21.774 26.391 1.00 0.00 C ATOM 723 CG PHE A 45 21.570 21.589 26.479 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.878 20.364 26.407 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.731 22.686 26.665 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.482 20.236 26.429 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.338 22.603 26.725 1.00 0.00 C ATOM 728 CZ PHE A 45 18.679 21.373 26.566 1.00 0.00 C ATOM 0 H PHE A 45 25.200 19.857 26.700 1.00 0.00 H new ATOM 0 HA PHE A 45 24.048 22.112 28.259 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.246 22.839 26.251 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.396 21.270 25.485 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.464 19.460 26.329 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.186 23.660 26.769 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.027 19.260 26.340 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.759 23.498 26.896 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.601 21.308 26.550 1.00 0.00 H new ATOM 738 N ALA A 46 22.880 20.325 29.477 1.00 0.00 N ATOM 739 CA ALA A 46 22.256 19.332 30.319 1.00 0.00 C ATOM 740 C ALA A 46 23.232 18.197 30.660 1.00 0.00 C ATOM 741 O ALA A 46 22.801 17.142 31.113 1.00 0.00 O ATOM 742 CB ALA A 46 20.973 18.806 29.669 1.00 0.00 C ATOM 0 H ALA A 46 22.831 21.264 29.872 1.00 0.00 H new ATOM 0 HA ALA A 46 21.980 19.806 31.261 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.516 18.059 30.318 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.276 19.631 29.519 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.212 18.354 28.706 1.00 0.00 H new ATOM 748 N GLY A 47 24.531 18.441 30.580 1.00 0.00 N ATOM 749 CA GLY A 47 25.541 17.488 30.989 1.00 0.00 C ATOM 750 C GLY A 47 26.075 16.786 29.738 1.00 0.00 C ATOM 751 O GLY A 47 27.108 16.125 29.878 1.00 0.00 O ATOM 0 H GLY A 47 24.914 19.317 30.225 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.350 17.995 31.515 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.118 16.760 31.681 1.00 0.00 H new ATOM 755 N LYS A 48 25.448 16.896 28.579 1.00 0.00 N ATOM 756 CA LYS A 48 25.616 15.949 27.493 1.00 0.00 C ATOM 757 C LYS A 48 26.417 16.677 26.414 1.00 0.00 C ATOM 758 O LYS A 48 26.045 17.741 25.929 1.00 0.00 O ATOM 759 CB LYS A 48 24.237 15.592 26.929 1.00 0.00 C ATOM 760 CG LYS A 48 23.207 15.135 27.967 1.00 0.00 C ATOM 761 CD LYS A 48 23.567 13.885 28.770 1.00 0.00 C ATOM 762 CE LYS A 48 22.435 13.403 29.665 1.00 0.00 C ATOM 763 NZ LYS A 48 21.974 14.400 30.640 1.00 0.00 N ATOM 0 H LYS A 48 24.801 17.655 28.365 1.00 0.00 H new ATOM 0 HA LYS A 48 26.116 15.038 27.824 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.840 16.461 26.405 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.358 14.801 26.188 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.038 15.954 28.666 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.262 14.953 27.455 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.844 13.086 28.082 1.00 0.00 H new ATOM 0 HD3 LYS A 48 24.443 14.095 29.384 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.593 13.106 29.039 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.764 12.512 30.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.990 13.986 31.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.601 15.229 30.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.004 14.692 30.406 1.00 0.00 H new ATOM 777 N GLN A 49 27.497 16.016 26.012 1.00 0.00 N ATOM 778 CA GLN A 49 28.322 16.245 24.841 1.00 0.00 C ATOM 779 C GLN A 49 27.388 16.039 23.651 1.00 0.00 C ATOM 780 O GLN A 49 27.201 14.909 23.192 1.00 0.00 O ATOM 781 CB GLN A 49 29.551 15.343 24.898 1.00 0.00 C ATOM 782 CG GLN A 49 30.791 15.734 25.695 1.00 0.00 C ATOM 783 CD GLN A 49 30.569 15.463 27.179 1.00 0.00 C ATOM 784 OE1 GLN A 49 29.503 15.007 27.576 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.596 15.634 27.989 1.00 0.00 N ATOM 0 H GLN A 49 27.848 15.228 26.556 1.00 0.00 H new ATOM 0 HA GLN A 49 28.747 17.246 24.767 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.219 14.379 25.283 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.874 15.182 23.869 1.00 0.00 H new ATOM 0 HG2 GLN A 49 31.654 15.170 25.340 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.014 16.790 25.540 1.00 0.00 H new ATOM 0 HE21 GLN A 49 32.471 16.016 27.630 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.515 15.384 28.975 1.00 0.00 H new ATOM 794 N LEU A 50 26.757 17.077 23.108 1.00 0.00 N ATOM 795 CA LEU A 50 25.984 16.999 21.886 1.00 0.00 C ATOM 796 C LEU A 50 26.821 16.667 20.655 1.00 0.00 C ATOM 797 O LEU A 50 27.904 17.235 20.490 1.00 0.00 O ATOM 798 CB LEU A 50 25.272 18.342 21.696 1.00 0.00 C ATOM 799 CG LEU A 50 24.556 18.822 22.956 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.868 20.157 22.679 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.750 17.781 23.724 1.00 0.00 C ATOM 0 H LEU A 50 26.773 18.011 23.518 1.00 0.00 H new ATOM 0 HA LEU A 50 25.273 16.179 21.986 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.001 19.093 21.391 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.548 18.252 20.886 1.00 0.00 H new ATOM 0 HG LEU A 50 25.321 19.007 23.710 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.358 20.497 23.580 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.613 20.896 22.383 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.142 20.032 21.876 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.291 18.247 24.596 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.972 17.375 23.078 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.410 16.976 24.048 1.00 0.00 H new ATOM 813 N GLU A 51 26.340 15.677 19.905 1.00 0.00 N ATOM 814 CA GLU A 51 26.960 15.116 18.728 1.00 0.00 C ATOM 815 C GLU A 51 26.626 15.849 17.419 1.00 0.00 C ATOM 816 O GLU A 51 25.479 16.264 17.274 1.00 0.00 O ATOM 817 CB GLU A 51 26.448 13.684 18.593 1.00 0.00 C ATOM 818 CG GLU A 51 27.232 12.776 17.647 1.00 0.00 C ATOM 819 CD GLU A 51 28.657 12.698 18.190 1.00 0.00 C ATOM 820 OE1 GLU A 51 28.772 12.375 19.399 1.00 0.00 O ATOM 821 OE2 GLU A 51 29.566 13.145 17.465 1.00 0.00 O ATOM 0 H GLU A 51 25.453 15.225 20.125 1.00 0.00 H new ATOM 0 HA GLU A 51 28.038 15.196 18.865 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.444 13.227 19.582 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.413 13.720 18.254 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.781 11.785 17.601 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.226 13.177 16.633 1.00 0.00 H new ATOM 828 N ASP A 52 27.605 15.868 16.516 1.00 0.00 N ATOM 829 CA ASP A 52 27.511 16.277 15.124 1.00 0.00 C ATOM 830 C ASP A 52 26.687 15.353 14.232 1.00 0.00 C ATOM 831 O ASP A 52 26.960 14.149 14.328 1.00 0.00 O ATOM 832 CB ASP A 52 28.867 16.127 14.443 1.00 0.00 C ATOM 833 CG ASP A 52 29.905 17.108 14.953 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.936 18.264 14.476 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.778 16.692 15.745 1.00 0.00 O ATOM 0 H ASP A 52 28.551 15.576 16.760 1.00 0.00 H new ATOM 0 HA ASP A 52 27.090 17.280 15.199 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.232 15.111 14.595 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.744 16.265 13.369 1.00 0.00 H new ATOM 840 N GLY A 53 25.543 15.812 13.735 1.00 0.00 N ATOM 841 CA GLY A 53 24.609 14.929 13.073 1.00 0.00 C ATOM 842 C GLY A 53 23.130 15.231 13.348 1.00 0.00 C ATOM 843 O GLY A 53 22.308 14.928 12.493 1.00 0.00 O ATOM 0 H GLY A 53 25.248 16.787 13.781 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.782 14.981 11.998 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.819 13.905 13.381 1.00 0.00 H new ATOM 847 N ARG A 54 22.885 15.889 14.476 1.00 0.00 N ATOM 848 CA ARG A 54 21.563 15.909 15.068 1.00 0.00 C ATOM 849 C ARG A 54 21.074 17.346 14.871 1.00 0.00 C ATOM 850 O ARG A 54 21.884 18.252 14.694 1.00 0.00 O ATOM 851 CB ARG A 54 21.646 15.534 16.539 1.00 0.00 C ATOM 852 CG ARG A 54 22.410 14.236 16.821 1.00 0.00 C ATOM 853 CD ARG A 54 21.513 13.066 17.211 1.00 0.00 C ATOM 854 NE ARG A 54 22.175 12.068 18.044 1.00 0.00 N ATOM 855 CZ ARG A 54 22.747 10.898 17.710 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.804 10.442 16.461 1.00 0.00 N ATOM 857 NH2 ARG A 54 23.217 10.170 18.743 1.00 0.00 N ATOM 0 H ARG A 54 23.589 16.414 14.995 1.00 0.00 H new ATOM 0 HA ARG A 54 20.879 15.192 14.614 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.125 16.348 17.082 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.635 15.439 16.934 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.983 13.963 15.935 1.00 0.00 H new ATOM 0 HG3 ARG A 54 23.127 14.414 17.622 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.642 13.450 17.743 1.00 0.00 H new ATOM 0 HD3 ARG A 54 21.146 12.584 16.305 1.00 0.00 H new ATOM 0 HE ARG A 54 22.209 12.294 19.038 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.401 10.988 15.700 1.00 0.00 H new ATOM 0 HH12 ARG A 54 23.251 9.546 16.265 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.125 10.519 19.697 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.665 9.270 18.571 1.00 0.00 H new ATOM 871 N THR A 55 19.780 17.631 14.982 1.00 0.00 N ATOM 872 CA THR A 55 19.056 18.882 15.065 1.00 0.00 C ATOM 873 C THR A 55 18.619 19.235 16.487 1.00 0.00 C ATOM 874 O THR A 55 18.802 18.374 17.343 1.00 0.00 O ATOM 875 CB THR A 55 17.791 18.661 14.230 1.00 0.00 C ATOM 876 OG1 THR A 55 16.899 17.784 14.876 1.00 0.00 O ATOM 877 CG2 THR A 55 18.032 18.403 12.742 1.00 0.00 C ATOM 0 H THR A 55 19.117 16.857 15.021 1.00 0.00 H new ATOM 0 HA THR A 55 19.696 19.695 14.722 1.00 0.00 H new ATOM 0 HB THR A 55 17.273 19.619 14.184 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.403 17.059 15.300 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.076 18.259 12.238 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.548 19.257 12.304 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.643 17.509 12.622 1.00 0.00 H new ATOM 885 N LEU A 56 18.206 20.472 16.726 1.00 0.00 N ATOM 886 CA LEU A 56 17.553 20.857 17.959 1.00 0.00 C ATOM 887 C LEU A 56 16.525 19.843 18.458 1.00 0.00 C ATOM 888 O LEU A 56 16.731 19.364 19.564 1.00 0.00 O ATOM 889 CB LEU A 56 16.923 22.240 17.867 1.00 0.00 C ATOM 890 CG LEU A 56 17.980 23.345 17.760 1.00 0.00 C ATOM 891 CD1 LEU A 56 17.454 24.605 17.076 1.00 0.00 C ATOM 892 CD2 LEU A 56 18.576 23.687 19.127 1.00 0.00 C ATOM 0 H LEU A 56 18.318 21.238 16.062 1.00 0.00 H new ATOM 0 HA LEU A 56 18.354 20.884 18.697 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.265 22.282 16.999 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.303 22.415 18.746 1.00 0.00 H new ATOM 0 HG LEU A 56 18.771 22.943 17.127 1.00 0.00 H new ATOM 0 HD11 LEU A 56 18.247 25.352 17.029 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.126 24.361 16.066 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.613 25.003 17.644 1.00 0.00 H new ATOM 0 HD21 LEU A 56 19.321 24.474 19.012 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.785 24.031 19.793 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.047 22.800 19.551 1.00 0.00 H new ATOM 904 N SER A 57 15.640 19.304 17.612 1.00 0.00 N ATOM 905 CA SER A 57 14.549 18.391 17.861 1.00 0.00 C ATOM 906 C SER A 57 14.992 17.015 18.362 1.00 0.00 C ATOM 907 O SER A 57 14.243 16.398 19.125 1.00 0.00 O ATOM 908 CB SER A 57 13.804 18.164 16.536 1.00 0.00 C ATOM 909 OG SER A 57 13.789 19.331 15.759 1.00 0.00 O ATOM 0 H SER A 57 15.689 19.534 16.620 1.00 0.00 H new ATOM 0 HA SER A 57 13.934 18.846 18.637 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.283 17.359 15.979 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.782 17.846 16.740 1.00 0.00 H new ATOM 0 HG SER A 57 13.311 19.160 14.921 1.00 0.00 H new ATOM 915 N ASP A 58 16.277 16.714 18.219 1.00 0.00 N ATOM 916 CA ASP A 58 16.868 15.516 18.781 1.00 0.00 C ATOM 917 C ASP A 58 17.069 15.674 20.288 1.00 0.00 C ATOM 918 O ASP A 58 16.913 14.723 21.046 1.00 0.00 O ATOM 919 CB ASP A 58 18.239 15.244 18.148 1.00 0.00 C ATOM 920 CG ASP A 58 18.058 14.751 16.712 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.689 13.558 16.546 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.206 15.593 15.812 1.00 0.00 O ATOM 0 H ASP A 58 16.937 17.299 17.707 1.00 0.00 H new ATOM 0 HA ASP A 58 16.189 14.688 18.577 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.841 16.153 18.157 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.778 14.499 18.733 1.00 0.00 H new ATOM 927 N TYR A 59 17.406 16.876 20.768 1.00 0.00 N ATOM 928 CA TYR A 59 17.767 17.162 22.140 1.00 0.00 C ATOM 929 C TYR A 59 16.647 18.073 22.653 1.00 0.00 C ATOM 930 O TYR A 59 16.852 18.711 23.680 1.00 0.00 O ATOM 931 CB TYR A 59 19.144 17.813 22.203 1.00 0.00 C ATOM 932 CG TYR A 59 20.359 17.019 21.788 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.729 15.937 22.598 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.922 17.135 20.513 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.798 15.116 22.201 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.020 16.341 20.167 1.00 0.00 C ATOM 937 CZ TYR A 59 22.525 15.362 21.037 1.00 0.00 C ATOM 938 OH TYR A 59 23.689 14.726 20.709 1.00 0.00 O ATOM 0 H TYR A 59 17.432 17.706 20.175 1.00 0.00 H new ATOM 0 HA TYR A 59 17.851 16.269 22.760 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.111 18.709 21.583 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.303 18.142 23.230 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.198 15.736 23.517 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.511 17.834 19.800 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.064 14.269 22.816 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.491 16.485 19.206 1.00 0.00 H new ATOM 0 HH TYR A 59 23.629 14.386 19.792 1.00 0.00 H new ATOM 948 N ASN A 60 15.532 18.207 21.941 1.00 0.00 N ATOM 949 CA ASN A 60 14.252 18.711 22.417 1.00 0.00 C ATOM 950 C ASN A 60 14.245 20.181 22.842 1.00 0.00 C ATOM 951 O ASN A 60 13.523 20.614 23.724 1.00 0.00 O ATOM 952 CB ASN A 60 13.513 17.826 23.418 1.00 0.00 C ATOM 953 CG ASN A 60 13.176 16.604 22.585 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.048 15.807 22.252 1.00 0.00 O ATOM 955 ND2 ASN A 60 11.869 16.431 22.371 1.00 0.00 N ATOM 0 H ASN A 60 15.498 17.950 20.955 1.00 0.00 H new ATOM 0 HA ASN A 60 13.662 18.658 21.502 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.137 17.574 24.275 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.618 18.312 23.807 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.536 15.589 21.901 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.204 17.141 22.678 1.00 0.00 H new ATOM 962 N ILE A 61 15.100 21.027 22.257 1.00 0.00 N ATOM 963 CA ILE A 61 15.454 22.291 22.859 1.00 0.00 C ATOM 964 C ILE A 61 14.464 23.283 22.238 1.00 0.00 C ATOM 965 O ILE A 61 14.142 23.406 21.056 1.00 0.00 O ATOM 966 CB ILE A 61 16.898 22.689 22.559 1.00 0.00 C ATOM 967 CG1 ILE A 61 17.890 21.667 23.123 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.221 24.067 23.134 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.336 21.938 22.728 1.00 0.00 C ATOM 0 H ILE A 61 15.555 20.846 21.362 1.00 0.00 H new ATOM 0 HA ILE A 61 15.396 22.256 23.947 1.00 0.00 H new ATOM 0 HB ILE A 61 16.997 22.719 21.474 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.814 21.661 24.210 1.00 0.00 H new ATOM 0 HG13 ILE A 61 17.609 20.672 22.779 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.255 24.324 22.905 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.557 24.810 22.693 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.082 24.052 24.215 1.00 0.00 H new ATOM 0 HD11 ILE A 61 19.981 21.175 23.163 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.427 21.914 21.642 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.636 22.919 23.096 1.00 0.00 H new ATOM 981 N GLN A 62 13.949 24.157 23.096 1.00 0.00 N ATOM 982 CA GLN A 62 13.043 25.262 22.873 1.00 0.00 C ATOM 983 C GLN A 62 13.769 26.587 23.101 1.00 0.00 C ATOM 984 O GLN A 62 14.981 26.745 23.183 1.00 0.00 O ATOM 985 CB GLN A 62 11.769 25.074 23.708 1.00 0.00 C ATOM 986 CG GLN A 62 11.022 23.747 23.667 1.00 0.00 C ATOM 987 CD GLN A 62 10.377 23.263 22.375 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.219 22.057 22.206 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.085 24.078 21.372 1.00 0.00 N ATOM 0 H GLN A 62 14.192 24.093 24.085 1.00 0.00 H new ATOM 0 HA GLN A 62 12.710 25.286 21.835 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.032 25.267 24.748 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.066 25.851 23.407 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.721 22.974 23.987 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.236 23.797 24.420 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.206 25.085 21.481 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.740 23.698 20.490 1.00 0.00 H new ATOM 998 N LYS A 63 12.973 27.660 23.153 1.00 0.00 N ATOM 999 CA LYS A 63 13.400 29.046 23.159 1.00 0.00 C ATOM 1000 C LYS A 63 13.902 29.514 24.522 1.00 0.00 C ATOM 1001 O LYS A 63 13.456 29.052 25.575 1.00 0.00 O ATOM 1002 CB LYS A 63 12.158 29.866 22.782 1.00 0.00 C ATOM 1003 CG LYS A 63 10.899 29.914 23.657 1.00 0.00 C ATOM 1004 CD LYS A 63 9.732 30.665 23.040 1.00 0.00 C ATOM 1005 CE LYS A 63 9.092 31.666 24.001 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.781 32.080 23.480 1.00 0.00 N ATOM 0 H LYS A 63 11.958 27.570 23.194 1.00 0.00 H new ATOM 0 HA LYS A 63 14.233 29.170 22.467 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.491 30.897 22.660 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.841 29.516 21.800 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.584 28.893 23.874 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.151 30.380 24.610 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.076 31.193 22.150 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.978 29.949 22.714 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.977 31.216 24.987 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.738 32.535 24.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.347 32.761 24.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.903 32.525 22.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.165 31.247 23.388 1.00 0.00 H new ATOM 1020 N GLU A 64 14.839 30.462 24.580 1.00 0.00 N ATOM 1021 CA GLU A 64 15.416 31.152 25.714 1.00 0.00 C ATOM 1022 C GLU A 64 16.242 30.230 26.618 1.00 0.00 C ATOM 1023 O GLU A 64 16.555 30.644 27.732 1.00 0.00 O ATOM 1024 CB GLU A 64 14.426 32.083 26.427 1.00 0.00 C ATOM 1025 CG GLU A 64 13.664 33.025 25.496 1.00 0.00 C ATOM 1026 CD GLU A 64 12.706 33.931 26.262 1.00 0.00 C ATOM 1027 OE1 GLU A 64 13.279 34.638 27.112 1.00 0.00 O ATOM 1028 OE2 GLU A 64 11.488 33.993 25.973 1.00 0.00 O ATOM 0 H GLU A 64 15.259 30.801 23.714 1.00 0.00 H new ATOM 0 HA GLU A 64 16.158 31.845 25.316 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.707 31.476 26.978 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.969 32.678 27.161 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.374 33.636 24.938 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.105 32.440 24.766 1.00 0.00 H new ATOM 1035 N SER A 65 16.513 28.995 26.215 1.00 0.00 N ATOM 1036 CA SER A 65 17.367 28.041 26.904 1.00 0.00 C ATOM 1037 C SER A 65 18.820 28.496 26.736 1.00 0.00 C ATOM 1038 O SER A 65 19.164 29.204 25.793 1.00 0.00 O ATOM 1039 CB SER A 65 17.244 26.640 26.305 1.00 0.00 C ATOM 1040 OG SER A 65 15.913 26.213 26.522 1.00 0.00 O ATOM 0 H SER A 65 16.122 28.614 25.354 1.00 0.00 H new ATOM 0 HA SER A 65 17.066 28.002 27.951 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.476 26.654 25.240 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.950 25.956 26.776 1.00 0.00 H new ATOM 0 HG SER A 65 15.793 25.315 26.149 1.00 0.00 H new ATOM 1046 N THR A 66 19.731 27.932 27.526 1.00 0.00 N ATOM 1047 CA THR A 66 21.168 28.115 27.538 1.00 0.00 C ATOM 1048 C THR A 66 21.860 26.770 27.320 1.00 0.00 C ATOM 1049 O THR A 66 21.620 25.792 28.015 1.00 0.00 O ATOM 1050 CB THR A 66 21.648 28.830 28.794 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.774 29.885 29.142 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.086 29.332 28.687 1.00 0.00 C ATOM 0 H THR A 66 19.444 27.268 28.245 1.00 0.00 H new ATOM 0 HA THR A 66 21.442 28.772 26.713 1.00 0.00 H new ATOM 0 HB THR A 66 21.638 28.086 29.591 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.102 30.328 29.952 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.367 29.832 29.614 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.754 28.488 28.513 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.165 30.035 27.858 1.00 0.00 H new ATOM 1060 N LEU A 67 22.817 26.697 26.384 1.00 0.00 N ATOM 1061 CA LEU A 67 23.861 25.703 26.329 1.00 0.00 C ATOM 1062 C LEU A 67 25.212 26.288 26.774 1.00 0.00 C ATOM 1063 O LEU A 67 25.354 27.471 27.033 1.00 0.00 O ATOM 1064 CB LEU A 67 23.942 25.343 24.847 1.00 0.00 C ATOM 1065 CG LEU A 67 22.670 24.901 24.107 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.702 26.019 23.711 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.849 23.982 22.902 1.00 0.00 C ATOM 0 H LEU A 67 22.874 27.367 25.617 1.00 0.00 H new ATOM 0 HA LEU A 67 23.650 24.856 26.982 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.342 26.210 24.321 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.675 24.543 24.744 1.00 0.00 H new ATOM 0 HG LEU A 67 22.227 24.312 24.910 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.842 25.590 23.196 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.365 26.542 24.606 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.209 26.721 23.049 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.874 23.748 22.475 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.464 24.480 22.152 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.338 23.060 23.217 1.00 0.00 H new ATOM 1079 N HIS A 68 26.208 25.428 26.975 1.00 0.00 N ATOM 1080 CA HIS A 68 27.579 25.731 27.337 1.00 0.00 C ATOM 1081 C HIS A 68 28.610 25.245 26.306 1.00 0.00 C ATOM 1082 O HIS A 68 28.554 24.098 25.866 1.00 0.00 O ATOM 1083 CB HIS A 68 27.899 25.014 28.651 1.00 0.00 C ATOM 1084 CG HIS A 68 27.802 25.802 29.923 1.00 0.00 C ATOM 1085 ND1 HIS A 68 28.708 26.801 30.303 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.726 25.690 30.763 1.00 0.00 C ATOM 1087 CE1 HIS A 68 28.147 27.273 31.425 1.00 0.00 C ATOM 1088 NE2 HIS A 68 27.005 26.628 31.739 1.00 0.00 N ATOM 0 H HIS A 68 26.059 24.423 26.880 1.00 0.00 H new ATOM 0 HA HIS A 68 27.651 26.817 27.405 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.230 24.158 28.736 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.913 24.620 28.578 1.00 0.00 H new ATOM 0 HD2 HIS A 68 25.873 25.033 30.683 1.00 0.00 H new ATOM 0 HE1 HIS A 68 28.563 28.079 32.012 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.436 26.805 32.567 1.00 0.00 H new ATOM 1096 N LEU A 69 29.448 26.179 25.874 1.00 0.00 N ATOM 1097 CA LEU A 69 30.440 25.891 24.853 1.00 0.00 C ATOM 1098 C LEU A 69 31.715 25.657 25.667 1.00 0.00 C ATOM 1099 O LEU A 69 32.029 26.520 26.491 1.00 0.00 O ATOM 1100 CB LEU A 69 30.629 27.198 24.080 1.00 0.00 C ATOM 1101 CG LEU A 69 31.127 26.976 22.653 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.879 28.190 21.744 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.599 26.578 22.577 1.00 0.00 C ATOM 0 H LEU A 69 29.458 27.140 26.216 1.00 0.00 H new ATOM 0 HA LEU A 69 30.190 25.067 24.185 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.682 27.737 24.050 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.339 27.831 24.613 1.00 0.00 H new ATOM 0 HG LEU A 69 30.534 26.137 22.289 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.252 27.977 20.742 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.810 28.396 21.696 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.399 29.059 22.148 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.884 26.437 21.535 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.212 27.364 23.018 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.753 25.648 23.125 1.00 0.00 H new ATOM 1115 N VAL A 70 32.417 24.570 25.380 1.00 0.00 N ATOM 1116 CA VAL A 70 33.703 24.240 25.971 1.00 0.00 C ATOM 1117 C VAL A 70 34.690 24.160 24.803 1.00 0.00 C ATOM 1118 O VAL A 70 34.417 23.574 23.755 1.00 0.00 O ATOM 1119 CB VAL A 70 33.461 22.920 26.698 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.705 22.197 27.215 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.352 22.986 27.748 1.00 0.00 C ATOM 0 H VAL A 70 32.096 23.873 24.708 1.00 0.00 H new ATOM 0 HA VAL A 70 34.115 24.952 26.686 1.00 0.00 H new ATOM 0 HB VAL A 70 33.099 22.281 25.892 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.409 21.274 27.713 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.364 21.963 26.379 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.231 22.838 27.923 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.240 22.010 28.221 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.610 23.728 28.504 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.414 23.267 27.269 1.00 0.00 H new ATOM 1131 N LEU A 71 35.754 24.952 24.897 1.00 0.00 N ATOM 1132 CA LEU A 71 36.856 25.081 23.954 1.00 0.00 C ATOM 1133 C LEU A 71 37.954 24.080 24.290 1.00 0.00 C ATOM 1134 O LEU A 71 38.007 23.602 25.419 1.00 0.00 O ATOM 1135 CB LEU A 71 37.432 26.498 24.077 1.00 0.00 C ATOM 1136 CG LEU A 71 36.570 27.588 23.433 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.191 28.946 23.735 1.00 0.00 C ATOM 1138 CD2 LEU A 71 36.304 27.369 21.946 1.00 0.00 C ATOM 0 H LEU A 71 35.876 25.569 25.700 1.00 0.00 H new ATOM 0 HA LEU A 71 36.494 24.892 22.943 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.565 26.733 25.133 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.421 26.516 23.620 1.00 0.00 H new ATOM 0 HG LEU A 71 35.576 27.543 23.877 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.586 29.731 23.282 1.00 0.00 H new ATOM 0 HD12 LEU A 71 37.231 29.096 24.814 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.201 28.984 23.326 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.687 28.182 21.563 1.00 0.00 H new ATOM 0 HD22 LEU A 71 37.251 27.346 21.406 1.00 0.00 H new ATOM 0 HD23 LEU A 71 35.784 26.422 21.805 1.00 0.00 H new ATOM 1150 N ARG A 72 38.914 23.809 23.400 1.00 0.00 N ATOM 1151 CA ARG A 72 40.097 22.977 23.374 1.00 0.00 C ATOM 1152 C ARG A 72 41.322 23.849 23.118 1.00 0.00 C ATOM 1153 O ARG A 72 42.137 23.576 22.229 1.00 0.00 O ATOM 1154 CB ARG A 72 39.932 21.773 22.446 1.00 0.00 C ATOM 1155 CG ARG A 72 41.009 20.691 22.494 1.00 0.00 C ATOM 1156 CD ARG A 72 40.931 19.446 21.608 1.00 0.00 C ATOM 1157 NE ARG A 72 41.489 19.768 20.298 1.00 0.00 N ATOM 1158 CZ ARG A 72 40.933 19.698 19.076 1.00 0.00 C ATOM 1159 NH1 ARG A 72 39.670 19.252 19.012 1.00 0.00 N ATOM 1160 NH2 ARG A 72 41.684 20.112 18.041 1.00 0.00 N ATOM 0 H ARG A 72 38.846 24.278 22.497 1.00 0.00 H new ATOM 0 HA ARG A 72 40.255 22.514 24.348 1.00 0.00 H new ATOM 0 HB2 ARG A 72 38.974 21.304 22.671 1.00 0.00 H new ATOM 0 HB3 ARG A 72 39.873 22.143 21.422 1.00 0.00 H new ATOM 0 HG2 ARG A 72 41.958 21.179 22.272 1.00 0.00 H new ATOM 0 HG3 ARG A 72 41.063 20.343 23.526 1.00 0.00 H new ATOM 0 HD2 ARG A 72 41.484 18.624 22.062 1.00 0.00 H new ATOM 0 HD3 ARG A 72 39.896 19.118 21.508 1.00 0.00 H new ATOM 0 HE ARG A 72 42.454 20.099 20.312 1.00 0.00 H new ATOM 0 HH11 ARG A 72 39.179 18.986 19.866 1.00 0.00 H new ATOM 0 HH12 ARG A 72 39.200 19.179 18.110 1.00 0.00 H new ATOM 0 HH21 ARG A 72 42.629 20.459 18.203 1.00 0.00 H new ATOM 0 HH22 ARG A 72 41.309 20.079 17.093 1.00 0.00 H new ATOM 1174 N LEU A 73 41.474 24.916 23.889 1.00 0.00 N ATOM 1175 CA LEU A 73 42.660 25.730 24.010 1.00 0.00 C ATOM 1176 C LEU A 73 43.601 24.991 24.970 1.00 0.00 C ATOM 1177 O LEU A 73 44.803 25.003 24.689 1.00 0.00 O ATOM 1178 CB LEU A 73 42.390 27.117 24.593 1.00 0.00 C ATOM 1179 CG LEU A 73 41.132 27.816 24.073 1.00 0.00 C ATOM 1180 CD1 LEU A 73 40.680 29.058 24.843 1.00 0.00 C ATOM 1181 CD2 LEU A 73 41.150 28.106 22.572 1.00 0.00 C ATOM 0 H LEU A 73 40.717 25.253 24.484 1.00 0.00 H new ATOM 0 HA LEU A 73 43.075 25.879 23.013 1.00 0.00 H new ATOM 0 HB2 LEU A 73 42.314 27.028 25.677 1.00 0.00 H new ATOM 0 HB3 LEU A 73 43.250 27.753 24.385 1.00 0.00 H new ATOM 0 HG LEU A 73 40.378 27.053 24.267 1.00 0.00 H new ATOM 0 HD11 LEU A 73 39.780 29.465 24.381 1.00 0.00 H new ATOM 0 HD12 LEU A 73 40.467 28.787 25.877 1.00 0.00 H new ATOM 0 HD13 LEU A 73 41.471 29.808 24.820 1.00 0.00 H new ATOM 0 HD21 LEU A 73 40.222 28.602 22.286 1.00 0.00 H new ATOM 0 HD22 LEU A 73 41.995 28.753 22.337 1.00 0.00 H new ATOM 0 HD23 LEU A 73 41.245 27.170 22.022 1.00 0.00 H new ATOM 1193 N ARG A 74 43.130 24.288 25.994 1.00 0.00 N ATOM 1194 CA ARG A 74 43.872 23.528 26.980 1.00 0.00 C ATOM 1195 C ARG A 74 42.955 22.425 27.528 1.00 0.00 C ATOM 1196 O ARG A 74 41.935 22.697 28.150 1.00 0.00 O ATOM 1197 CB ARG A 74 44.609 24.424 27.962 1.00 0.00 C ATOM 1198 CG ARG A 74 43.833 25.218 29.009 1.00 0.00 C ATOM 1199 CD ARG A 74 44.623 25.607 30.263 1.00 0.00 C ATOM 1200 NE ARG A 74 43.824 26.436 31.166 1.00 0.00 N ATOM 1201 CZ ARG A 74 43.087 26.006 32.196 1.00 0.00 C ATOM 1202 NH1 ARG A 74 43.031 24.700 32.466 1.00 0.00 N ATOM 1203 NH2 ARG A 74 42.486 26.905 32.989 1.00 0.00 N ATOM 0 H ARG A 74 42.126 24.234 26.166 1.00 0.00 H new ATOM 0 HA ARG A 74 44.716 22.993 26.544 1.00 0.00 H new ATOM 0 HB2 ARG A 74 45.324 23.798 28.496 1.00 0.00 H new ATOM 0 HB3 ARG A 74 45.186 25.140 27.376 1.00 0.00 H new ATOM 0 HG2 ARG A 74 43.455 26.128 28.543 1.00 0.00 H new ATOM 0 HG3 ARG A 74 42.966 24.632 29.314 1.00 0.00 H new ATOM 0 HD2 ARG A 74 44.946 24.706 30.785 1.00 0.00 H new ATOM 0 HD3 ARG A 74 45.524 26.148 29.973 1.00 0.00 H new ATOM 0 HE ARG A 74 43.830 27.441 30.993 1.00 0.00 H new ATOM 0 HH11 ARG A 74 43.548 24.037 31.888 1.00 0.00 H new ATOM 0 HH12 ARG A 74 42.471 24.365 33.250 1.00 0.00 H new ATOM 0 HH21 ARG A 74 42.594 27.902 32.803 1.00 0.00 H new ATOM 0 HH22 ARG A 74 41.921 26.592 33.778 1.00 0.00 H new ATOM 1217 N GLY A 75 43.367 21.181 27.268 1.00 0.00 N ATOM 1218 CA GLY A 75 42.568 20.020 27.623 1.00 0.00 C ATOM 1219 C GLY A 75 43.174 19.082 28.660 1.00 0.00 C ATOM 1220 O GLY A 75 43.763 19.467 29.666 1.00 0.00 O ATOM 0 H GLY A 75 44.252 20.959 26.812 1.00 0.00 H new ATOM 0 HA2 GLY A 75 41.604 20.367 27.996 1.00 0.00 H new ATOM 0 HA3 GLY A 75 42.372 19.448 26.716 1.00 0.00 H new ATOM 1224 N GLY A 76 42.926 17.782 28.488 1.00 0.00 N ATOM 1225 CA GLY A 76 43.276 16.675 29.349 1.00 0.00 C ATOM 1226 C GLY A 76 44.055 15.587 28.609 1.00 0.00 C ATOM 1227 O GLY A 76 43.645 15.226 27.487 1.00 0.00 O ATOM 1228 OXT GLY A 76 45.026 15.013 29.162 1.00 0.00 O ATOM 0 H GLY A 76 42.427 17.458 27.660 1.00 0.00 H new ATOM 0 HA2 GLY A 76 43.873 17.042 30.184 1.00 0.00 H new ATOM 0 HA3 GLY A 76 42.368 16.245 29.771 1.00 0.00 H new TER 1232 GLY A 76