USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 826 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 45 CYS SG : rot 130:sc= 0.746 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.705 K(o=1.5,f=-0.28) USER MOD Set 2.1: A 90 LYS NZ :NH3+ 155:sc= 1.2 (180deg=0.0121) USER MOD Set 2.2: A 92 SER OG : rot 180:sc= 1.04 USER MOD Set 3.1: A 31 GLN : amide:sc= -0.264 K(o=-1.6,f=-4.6) USER MOD Set 3.2: A 37 MET CE :methyl -168:sc= -1.36 (180deg=-2.32) USER MOD Set 4.1: A 5 LYS NZ :NH3+ 160:sc= 1.19 (180deg=-0.00389) USER MOD Set 4.2: A 7 THR OG1 : rot 180:sc= 1.01 USER MOD Set 4.3: A 17 THR OG1 : rot 84:sc= 2.28 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.08) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.324 F(o=-0.98,f=-0.32) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0.0236 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -1.38 F(o=-2.4,f=-1.4) USER MOD Single : A 34 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.00057) USER MOD Single : A 44 SER OG : rot 171:sc= 1.28 USER MOD Single : A 48 SER OG : rot 180:sc= 0.189 USER MOD Single : A 49 THR OG1 : rot -45:sc= 0.823 USER MOD Single : A 51 HIS : no HE2:sc= 0.264 K(o=0.26,f=-5.5!) USER MOD Single : A 58 TYR OH : rot -24:sc= 0.0275 USER MOD Single : A 59 TYR OH : rot 24:sc= 0.181 USER MOD Single : A 70 ASN : amide:sc= -0.0895 K(o=-0.09,f=-2.8!) USER MOD Single : A 72 MET CE :methyl -177:sc= -0.0195 (180deg=-0.0224) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 82 THR OG1 : rot 125:sc= 1.22 USER MOD Single : A 83 SER OG : rot 30:sc= 0.0407 USER MOD Single : A 88 GLN : amide:sc= 1.04 K(o=1,f=-0.56) USER MOD Single : A 91 MET CE :methyl 156:sc= -0.154 (180deg=-1.78) USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= 1.21 (180deg=1.1) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 108 ASN : amide:sc= -0.0553 K(o=-0.055,f=-2.4!) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 115 SER OG : rot 34:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 44.009 15.297 15.919 1.00 0.00 N ATOM 2 CA GLY A 1 45.249 14.970 16.644 1.00 0.00 C ATOM 3 C GLY A 1 45.415 15.836 17.875 1.00 0.00 C ATOM 4 O GLY A 1 45.720 17.021 17.755 1.00 0.00 O ATOM 0 H1 GLY A 1 43.925 14.686 15.081 1.00 0.00 H new ATOM 0 H2 GLY A 1 43.191 15.143 16.543 1.00 0.00 H new ATOM 0 H3 GLY A 1 44.034 16.293 15.620 1.00 0.00 H new ATOM 0 HA2 GLY A 1 45.235 13.920 16.935 1.00 0.00 H new ATOM 0 HA3 GLY A 1 46.105 15.106 15.983 1.00 0.00 H new ATOM 10 N GLU A 2 45.225 15.248 19.060 1.00 0.00 N ATOM 11 CA GLU A 2 45.321 15.898 20.377 1.00 0.00 C ATOM 12 C GLU A 2 44.372 17.109 20.529 1.00 0.00 C ATOM 13 O GLU A 2 44.732 18.133 21.112 1.00 0.00 O ATOM 14 CB GLU A 2 46.808 16.158 20.704 1.00 0.00 C ATOM 15 CG GLU A 2 47.129 16.186 22.202 1.00 0.00 C ATOM 16 CD GLU A 2 48.639 16.043 22.455 1.00 0.00 C ATOM 17 OE1 GLU A 2 49.179 14.925 22.256 1.00 0.00 O ATOM 18 OE2 GLU A 2 49.299 17.013 22.900 1.00 0.00 O ATOM 0 H GLU A 2 44.989 14.259 19.134 1.00 0.00 H new ATOM 0 HA GLU A 2 44.947 15.225 21.149 1.00 0.00 H new ATOM 0 HB2 GLU A 2 47.413 15.385 20.229 1.00 0.00 H new ATOM 0 HB3 GLU A 2 47.104 17.110 20.263 1.00 0.00 H new ATOM 0 HG2 GLU A 2 46.773 17.121 22.634 1.00 0.00 H new ATOM 0 HG3 GLU A 2 46.596 15.379 22.705 1.00 0.00 H new ATOM 25 N GLU A 3 43.165 17.032 19.956 1.00 0.00 N ATOM 26 CA GLU A 3 42.249 18.168 19.755 1.00 0.00 C ATOM 27 C GLU A 3 40.798 17.854 20.160 1.00 0.00 C ATOM 28 O GLU A 3 40.287 16.755 19.919 1.00 0.00 O ATOM 29 CB GLU A 3 42.345 18.601 18.285 1.00 0.00 C ATOM 30 CG GLU A 3 41.542 19.860 17.948 1.00 0.00 C ATOM 31 CD GLU A 3 41.902 20.342 16.542 1.00 0.00 C ATOM 32 OE1 GLU A 3 41.461 19.709 15.550 1.00 0.00 O ATOM 33 OE2 GLU A 3 42.687 21.315 16.423 1.00 0.00 O ATOM 0 H GLU A 3 42.785 16.152 19.608 1.00 0.00 H new ATOM 0 HA GLU A 3 42.553 18.984 20.411 1.00 0.00 H new ATOM 0 HB2 GLU A 3 43.392 18.774 18.037 1.00 0.00 H new ATOM 0 HB3 GLU A 3 41.999 17.783 17.654 1.00 0.00 H new ATOM 0 HG2 GLU A 3 40.474 19.649 18.008 1.00 0.00 H new ATOM 0 HG3 GLU A 3 41.753 20.643 18.676 1.00 0.00 H new ATOM 40 N LEU A 4 40.116 18.837 20.757 1.00 0.00 N ATOM 41 CA LEU A 4 38.792 18.690 21.371 1.00 0.00 C ATOM 42 C LEU A 4 37.759 19.657 20.754 1.00 0.00 C ATOM 43 O LEU A 4 38.131 20.649 20.131 1.00 0.00 O ATOM 44 CB LEU A 4 38.921 18.926 22.887 1.00 0.00 C ATOM 45 CG LEU A 4 39.923 18.035 23.652 1.00 0.00 C ATOM 46 CD1 LEU A 4 40.037 18.509 25.101 1.00 0.00 C ATOM 47 CD2 LEU A 4 39.513 16.562 23.685 1.00 0.00 C ATOM 0 H LEU A 4 40.482 19.787 20.828 1.00 0.00 H new ATOM 0 HA LEU A 4 38.428 17.680 21.180 1.00 0.00 H new ATOM 0 HB2 LEU A 4 39.204 19.967 23.045 1.00 0.00 H new ATOM 0 HB3 LEU A 4 37.937 18.792 23.336 1.00 0.00 H new ATOM 0 HG LEU A 4 40.870 18.120 23.119 1.00 0.00 H new ATOM 0 HD11 LEU A 4 40.745 17.877 25.636 1.00 0.00 H new ATOM 0 HD12 LEU A 4 40.386 19.541 25.120 1.00 0.00 H new ATOM 0 HD13 LEU A 4 39.061 18.447 25.582 1.00 0.00 H new ATOM 0 HD21 LEU A 4 40.258 15.989 24.237 1.00 0.00 H new ATOM 0 HD22 LEU A 4 38.544 16.465 24.175 1.00 0.00 H new ATOM 0 HD23 LEU A 4 39.444 16.181 22.666 1.00 0.00 H new ATOM 59 N LYS A 5 36.464 19.396 20.957 1.00 0.00 N ATOM 60 CA LYS A 5 35.332 20.253 20.555 1.00 0.00 C ATOM 61 C LYS A 5 34.681 20.975 21.731 1.00 0.00 C ATOM 62 O LYS A 5 34.779 20.544 22.872 1.00 0.00 O ATOM 63 CB LYS A 5 34.235 19.407 19.883 1.00 0.00 C ATOM 64 CG LYS A 5 34.614 18.781 18.535 1.00 0.00 C ATOM 65 CD LYS A 5 33.618 19.176 17.426 1.00 0.00 C ATOM 66 CE LYS A 5 32.236 18.569 17.723 1.00 0.00 C ATOM 67 NZ LYS A 5 31.215 18.937 16.718 1.00 0.00 N ATOM 0 H LYS A 5 36.157 18.544 21.427 1.00 0.00 H new ATOM 0 HA LYS A 5 35.751 20.992 19.872 1.00 0.00 H new ATOM 0 HB2 LYS A 5 33.948 18.608 20.566 1.00 0.00 H new ATOM 0 HB3 LYS A 5 33.355 20.034 19.738 1.00 0.00 H new ATOM 0 HG2 LYS A 5 35.618 19.100 18.254 1.00 0.00 H new ATOM 0 HG3 LYS A 5 34.640 17.696 18.632 1.00 0.00 H new ATOM 0 HD2 LYS A 5 33.542 20.262 17.363 1.00 0.00 H new ATOM 0 HD3 LYS A 5 33.979 18.825 16.459 1.00 0.00 H new ATOM 0 HE2 LYS A 5 32.323 17.483 17.763 1.00 0.00 H new ATOM 0 HE3 LYS A 5 31.904 18.899 18.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 30.426 18.260 16.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 30.861 19.894 16.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 31.639 18.915 15.769 1.00 0.00 H new ATOM 81 N ILE A 6 33.900 22.002 21.416 1.00 0.00 N ATOM 82 CA ILE A 6 32.836 22.548 22.264 1.00 0.00 C ATOM 83 C ILE A 6 31.693 23.039 21.367 1.00 0.00 C ATOM 84 O ILE A 6 31.903 23.794 20.420 1.00 0.00 O ATOM 85 CB ILE A 6 33.389 23.636 23.219 1.00 0.00 C ATOM 86 CG1 ILE A 6 32.294 24.368 24.036 1.00 0.00 C ATOM 87 CG2 ILE A 6 34.248 24.651 22.459 1.00 0.00 C ATOM 88 CD1 ILE A 6 32.796 25.118 25.273 1.00 0.00 C ATOM 0 H ILE A 6 33.991 22.499 20.530 1.00 0.00 H new ATOM 0 HA ILE A 6 32.434 21.773 22.916 1.00 0.00 H new ATOM 0 HB ILE A 6 34.008 23.103 23.940 1.00 0.00 H new ATOM 0 HG12 ILE A 6 31.788 25.077 23.381 1.00 0.00 H new ATOM 0 HG13 ILE A 6 31.549 23.637 24.351 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.623 25.403 23.154 1.00 0.00 H new ATOM 0 HG22 ILE A 6 35.088 24.138 21.991 1.00 0.00 H new ATOM 0 HG23 ILE A 6 33.645 25.135 21.691 1.00 0.00 H new ATOM 0 HD11 ILE A 6 31.955 25.596 25.775 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.274 24.415 25.955 1.00 0.00 H new ATOM 0 HD13 ILE A 6 33.517 25.878 24.970 1.00 0.00 H new ATOM 100 N THR A 7 30.467 22.609 21.660 1.00 0.00 N ATOM 101 CA THR A 7 29.249 23.168 21.060 1.00 0.00 C ATOM 102 C THR A 7 28.560 24.069 22.059 1.00 0.00 C ATOM 103 O THR A 7 28.332 23.687 23.205 1.00 0.00 O ATOM 104 CB THR A 7 28.263 22.093 20.577 1.00 0.00 C ATOM 105 OG1 THR A 7 28.880 21.197 19.687 1.00 0.00 O ATOM 106 CG2 THR A 7 27.070 22.716 19.841 1.00 0.00 C ATOM 0 H THR A 7 30.286 21.857 22.325 1.00 0.00 H new ATOM 0 HA THR A 7 29.561 23.732 20.181 1.00 0.00 H new ATOM 0 HB THR A 7 27.924 21.569 21.471 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.230 20.524 19.397 1.00 0.00 H new ATOM 0 HG21 THR A 7 26.393 21.927 19.513 1.00 0.00 H new ATOM 0 HG22 THR A 7 26.541 23.393 20.512 1.00 0.00 H new ATOM 0 HG23 THR A 7 27.427 23.271 18.974 1.00 0.00 H new ATOM 114 N PHE A 8 28.166 25.243 21.590 1.00 0.00 N ATOM 115 CA PHE A 8 27.395 26.210 22.346 1.00 0.00 C ATOM 116 C PHE A 8 26.086 26.538 21.630 1.00 0.00 C ATOM 117 O PHE A 8 26.037 26.636 20.401 1.00 0.00 O ATOM 118 CB PHE A 8 28.220 27.476 22.576 1.00 0.00 C ATOM 119 CG PHE A 8 29.719 27.350 22.816 1.00 0.00 C ATOM 120 CD1 PHE A 8 30.542 27.123 21.694 1.00 0.00 C ATOM 121 CD2 PHE A 8 30.325 27.646 24.066 1.00 0.00 C ATOM 122 CE1 PHE A 8 31.930 27.190 21.804 1.00 0.00 C ATOM 123 CE2 PHE A 8 31.715 27.803 24.148 1.00 0.00 C ATOM 124 CZ PHE A 8 32.508 27.568 23.017 1.00 0.00 C ATOM 0 H PHE A 8 28.382 25.556 20.644 1.00 0.00 H new ATOM 0 HA PHE A 8 27.147 25.776 23.315 1.00 0.00 H new ATOM 0 HB2 PHE A 8 28.079 28.122 21.709 1.00 0.00 H new ATOM 0 HB3 PHE A 8 27.792 27.996 23.434 1.00 0.00 H new ATOM 0 HD1 PHE A 8 30.092 26.895 20.739 1.00 0.00 H new ATOM 0 HD2 PHE A 8 29.716 27.750 24.952 1.00 0.00 H new ATOM 0 HE1 PHE A 8 32.554 26.951 20.956 1.00 0.00 H new ATOM 0 HE2 PHE A 8 32.173 28.104 25.079 1.00 0.00 H new ATOM 0 HZ PHE A 8 33.580 27.681 23.085 1.00 0.00 H new ATOM 134 N ILE A 9 25.032 26.757 22.411 1.00 0.00 N ATOM 135 CA ILE A 9 23.801 27.402 21.946 1.00 0.00 C ATOM 136 C ILE A 9 23.957 28.919 22.108 1.00 0.00 C ATOM 137 O ILE A 9 24.397 29.391 23.154 1.00 0.00 O ATOM 138 CB ILE A 9 22.565 26.855 22.692 1.00 0.00 C ATOM 139 CG1 ILE A 9 22.590 25.304 22.720 1.00 0.00 C ATOM 140 CG2 ILE A 9 21.272 27.437 22.075 1.00 0.00 C ATOM 141 CD1 ILE A 9 21.243 24.585 22.865 1.00 0.00 C ATOM 0 H ILE A 9 25.005 26.490 23.395 1.00 0.00 H new ATOM 0 HA ILE A 9 23.637 27.176 20.892 1.00 0.00 H new ATOM 0 HB ILE A 9 22.588 27.179 23.732 1.00 0.00 H new ATOM 0 HG12 ILE A 9 23.061 24.957 21.800 1.00 0.00 H new ATOM 0 HG13 ILE A 9 23.231 24.991 23.544 1.00 0.00 H new ATOM 0 HG21 ILE A 9 20.406 27.045 22.608 1.00 0.00 H new ATOM 0 HG22 ILE A 9 21.287 28.524 22.157 1.00 0.00 H new ATOM 0 HG23 ILE A 9 21.210 27.153 21.024 1.00 0.00 H new ATOM 0 HD11 ILE A 9 21.405 23.507 22.870 1.00 0.00 H new ATOM 0 HD12 ILE A 9 20.769 24.886 23.799 1.00 0.00 H new ATOM 0 HD13 ILE A 9 20.597 24.851 22.028 1.00 0.00 H new ATOM 153 N LEU A 10 23.603 29.681 21.078 1.00 0.00 N ATOM 154 CA LEU A 10 23.623 31.144 21.078 1.00 0.00 C ATOM 155 C LEU A 10 22.426 31.698 21.864 1.00 0.00 C ATOM 156 O LEU A 10 21.342 31.110 21.837 1.00 0.00 O ATOM 157 CB LEU A 10 23.627 31.654 19.621 1.00 0.00 C ATOM 158 CG LEU A 10 24.778 31.163 18.718 1.00 0.00 C ATOM 159 CD1 LEU A 10 24.932 32.146 17.553 1.00 0.00 C ATOM 160 CD2 LEU A 10 26.124 31.127 19.440 1.00 0.00 C ATOM 0 H LEU A 10 23.284 29.288 20.192 1.00 0.00 H new ATOM 0 HA LEU A 10 24.528 31.497 21.572 1.00 0.00 H new ATOM 0 HB2 LEU A 10 22.684 31.366 19.157 1.00 0.00 H new ATOM 0 HB3 LEU A 10 23.652 32.744 19.642 1.00 0.00 H new ATOM 0 HG LEU A 10 24.524 30.153 18.397 1.00 0.00 H new ATOM 0 HD11 LEU A 10 25.742 31.815 16.903 1.00 0.00 H new ATOM 0 HD12 LEU A 10 24.003 32.185 16.984 1.00 0.00 H new ATOM 0 HD13 LEU A 10 25.161 33.138 17.942 1.00 0.00 H new ATOM 0 HD21 LEU A 10 26.895 30.774 18.755 1.00 0.00 H new ATOM 0 HD22 LEU A 10 26.378 32.129 19.787 1.00 0.00 H new ATOM 0 HD23 LEU A 10 26.061 30.453 20.294 1.00 0.00 H new ATOM 172 N LYS A 11 22.560 32.871 22.493 1.00 0.00 N ATOM 173 CA LYS A 11 21.458 33.494 23.259 1.00 0.00 C ATOM 174 C LYS A 11 20.291 34.007 22.391 1.00 0.00 C ATOM 175 O LYS A 11 19.207 34.280 22.895 1.00 0.00 O ATOM 176 CB LYS A 11 22.028 34.504 24.273 1.00 0.00 C ATOM 177 CG LYS A 11 22.891 35.652 23.742 1.00 0.00 C ATOM 178 CD LYS A 11 22.128 36.719 22.953 1.00 0.00 C ATOM 179 CE LYS A 11 23.104 37.760 22.403 1.00 0.00 C ATOM 180 NZ LYS A 11 22.432 38.637 21.425 1.00 0.00 N ATOM 0 H LYS A 11 23.422 33.416 22.490 1.00 0.00 H new ATOM 0 HA LYS A 11 20.966 32.714 23.840 1.00 0.00 H new ATOM 0 HB2 LYS A 11 21.189 34.941 24.815 1.00 0.00 H new ATOM 0 HB3 LYS A 11 22.622 33.948 24.999 1.00 0.00 H new ATOM 0 HG2 LYS A 11 23.391 36.131 24.584 1.00 0.00 H new ATOM 0 HG3 LYS A 11 23.670 35.236 23.103 1.00 0.00 H new ATOM 0 HD2 LYS A 11 21.579 36.254 22.134 1.00 0.00 H new ATOM 0 HD3 LYS A 11 21.392 37.202 23.596 1.00 0.00 H new ATOM 0 HE2 LYS A 11 23.505 38.359 23.221 1.00 0.00 H new ATOM 0 HE3 LYS A 11 23.949 37.260 21.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 23.068 39.418 21.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.191 38.088 20.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.563 39.024 21.845 1.00 0.00 H new ATOM 194 N ASP A 12 20.503 34.079 21.076 1.00 0.00 N ATOM 195 CA ASP A 12 19.472 34.253 20.030 1.00 0.00 C ATOM 196 C ASP A 12 18.926 32.923 19.447 1.00 0.00 C ATOM 197 O ASP A 12 17.857 32.917 18.833 1.00 0.00 O ATOM 198 CB ASP A 12 20.036 35.108 18.884 1.00 0.00 C ATOM 199 CG ASP A 12 20.359 36.540 19.300 1.00 0.00 C ATOM 200 OD1 ASP A 12 19.435 37.386 19.368 1.00 0.00 O ATOM 201 OD2 ASP A 12 21.552 36.842 19.525 1.00 0.00 O ATOM 0 H ASP A 12 21.442 34.015 20.683 1.00 0.00 H new ATOM 0 HA ASP A 12 18.632 34.747 20.519 1.00 0.00 H new ATOM 0 HB2 ASP A 12 20.940 34.636 18.499 1.00 0.00 H new ATOM 0 HB3 ASP A 12 19.315 35.129 18.067 1.00 0.00 H new ATOM 206 N GLY A 13 19.635 31.802 19.647 1.00 0.00 N ATOM 207 CA GLY A 13 19.161 30.432 19.388 1.00 0.00 C ATOM 208 C GLY A 13 19.736 29.667 18.187 1.00 0.00 C ATOM 209 O GLY A 13 19.184 28.625 17.831 1.00 0.00 O ATOM 0 H GLY A 13 20.589 31.824 20.007 1.00 0.00 H new ATOM 0 HA2 GLY A 13 19.358 29.840 20.282 1.00 0.00 H new ATOM 0 HA3 GLY A 13 18.079 30.474 19.265 1.00 0.00 H new ATOM 213 N SER A 14 20.847 30.099 17.578 1.00 0.00 N ATOM 214 CA SER A 14 21.688 29.184 16.779 1.00 0.00 C ATOM 215 C SER A 14 22.462 28.198 17.662 1.00 0.00 C ATOM 216 O SER A 14 22.526 28.331 18.883 1.00 0.00 O ATOM 217 CB SER A 14 22.686 29.915 15.865 1.00 0.00 C ATOM 218 OG SER A 14 22.058 30.944 15.120 1.00 0.00 O ATOM 0 H SER A 14 21.185 31.060 17.618 1.00 0.00 H new ATOM 0 HA SER A 14 20.984 28.640 16.150 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.488 30.340 16.468 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.145 29.200 15.182 1.00 0.00 H new ATOM 0 HG SER A 14 22.722 31.388 14.552 1.00 0.00 H new ATOM 224 N GLN A 15 23.078 27.200 17.045 1.00 0.00 N ATOM 225 CA GLN A 15 24.093 26.317 17.585 1.00 0.00 C ATOM 226 C GLN A 15 25.378 26.520 16.814 1.00 0.00 C ATOM 227 O GLN A 15 25.374 26.691 15.594 1.00 0.00 O ATOM 228 CB GLN A 15 23.693 24.856 17.399 1.00 0.00 C ATOM 229 CG GLN A 15 22.454 24.395 18.182 1.00 0.00 C ATOM 230 CD GLN A 15 21.094 24.905 17.698 1.00 0.00 C ATOM 231 OE1 GLN A 15 20.558 25.954 18.285 1.00 0.00 O flip ATOM 232 NE2 GLN A 15 20.469 24.336 16.807 1.00 0.00 N flip ATOM 0 H GLN A 15 22.861 26.971 16.075 1.00 0.00 H new ATOM 0 HA GLN A 15 24.212 26.543 18.645 1.00 0.00 H new ATOM 0 HB2 GLN A 15 23.515 24.680 16.338 1.00 0.00 H new ATOM 0 HB3 GLN A 15 24.536 24.229 17.689 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.431 23.305 18.168 1.00 0.00 H new ATOM 0 HG3 GLN A 15 22.579 24.698 19.222 1.00 0.00 H new ATOM 0 HE21 GLN A 15 20.871 23.522 16.342 1.00 0.00 H new ATOM 0 HE22 GLN A 15 19.548 24.678 16.532 1.00 0.00 H new ATOM 241 N LYS A 16 26.491 26.466 17.533 1.00 0.00 N ATOM 242 CA LYS A 16 27.808 26.683 16.969 1.00 0.00 C ATOM 243 C LYS A 16 28.784 25.741 17.637 1.00 0.00 C ATOM 244 O LYS A 16 28.928 25.720 18.857 1.00 0.00 O ATOM 245 CB LYS A 16 28.198 28.138 17.182 1.00 0.00 C ATOM 246 CG LYS A 16 27.326 29.146 16.403 1.00 0.00 C ATOM 247 CD LYS A 16 27.426 29.143 14.870 1.00 0.00 C ATOM 248 CE LYS A 16 28.714 29.811 14.386 1.00 0.00 C ATOM 249 NZ LYS A 16 28.728 29.934 12.911 1.00 0.00 N ATOM 0 H LYS A 16 26.501 26.268 18.534 1.00 0.00 H new ATOM 0 HA LYS A 16 27.816 26.480 15.898 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.136 28.367 18.246 1.00 0.00 H new ATOM 0 HB3 LYS A 16 29.239 28.271 16.887 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.285 28.966 16.671 1.00 0.00 H new ATOM 0 HG3 LYS A 16 27.577 30.147 16.753 1.00 0.00 H new ATOM 0 HD2 LYS A 16 27.389 28.117 14.505 1.00 0.00 H new ATOM 0 HD3 LYS A 16 26.566 29.663 14.448 1.00 0.00 H new ATOM 0 HE2 LYS A 16 28.807 30.799 14.837 1.00 0.00 H new ATOM 0 HE3 LYS A 16 29.575 29.228 14.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 29.612 30.390 12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 28.663 28.988 12.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 27.919 30.510 12.603 1.00 0.00 H new ATOM 263 N THR A 17 29.385 24.923 16.797 1.00 0.00 N ATOM 264 CA THR A 17 30.336 23.866 17.191 1.00 0.00 C ATOM 265 C THR A 17 31.770 24.142 16.733 1.00 0.00 C ATOM 266 O THR A 17 32.053 24.283 15.540 1.00 0.00 O ATOM 267 CB THR A 17 29.837 22.465 16.813 1.00 0.00 C ATOM 268 OG1 THR A 17 30.521 21.521 17.596 1.00 0.00 O ATOM 269 CG2 THR A 17 30.058 22.054 15.365 1.00 0.00 C ATOM 0 H THR A 17 29.231 24.964 15.790 1.00 0.00 H new ATOM 0 HA THR A 17 30.380 23.888 18.280 1.00 0.00 H new ATOM 0 HB THR A 17 28.760 22.498 16.979 1.00 0.00 H new ATOM 0 HG1 THR A 17 30.077 21.433 18.465 1.00 0.00 H new ATOM 0 HG21 THR A 17 29.668 21.048 15.209 1.00 0.00 H new ATOM 0 HG22 THR A 17 29.540 22.751 14.706 1.00 0.00 H new ATOM 0 HG23 THR A 17 31.125 22.068 15.141 1.00 0.00 H new ATOM 277 N TYR A 18 32.687 24.230 17.693 1.00 0.00 N ATOM 278 CA TYR A 18 34.039 24.784 17.552 1.00 0.00 C ATOM 279 C TYR A 18 35.117 23.795 18.026 1.00 0.00 C ATOM 280 O TYR A 18 34.813 22.917 18.830 1.00 0.00 O ATOM 281 CB TYR A 18 34.120 26.091 18.362 1.00 0.00 C ATOM 282 CG TYR A 18 33.269 27.271 17.878 1.00 0.00 C ATOM 283 CD1 TYR A 18 32.700 27.293 16.587 1.00 0.00 C ATOM 284 CD2 TYR A 18 33.042 28.376 18.726 1.00 0.00 C ATOM 285 CE1 TYR A 18 31.880 28.352 16.172 1.00 0.00 C ATOM 286 CE2 TYR A 18 32.251 29.464 18.298 1.00 0.00 C ATOM 287 CZ TYR A 18 31.669 29.456 17.015 1.00 0.00 C ATOM 288 OH TYR A 18 30.920 30.499 16.570 1.00 0.00 O ATOM 0 H TYR A 18 32.502 23.901 18.641 1.00 0.00 H new ATOM 0 HA TYR A 18 34.229 24.979 16.497 1.00 0.00 H new ATOM 0 HB2 TYR A 18 33.835 25.869 19.390 1.00 0.00 H new ATOM 0 HB3 TYR A 18 35.162 26.412 18.382 1.00 0.00 H new ATOM 0 HD1 TYR A 18 32.900 26.479 15.906 1.00 0.00 H new ATOM 0 HD2 TYR A 18 33.478 28.389 19.714 1.00 0.00 H new ATOM 0 HE1 TYR A 18 31.409 28.319 15.201 1.00 0.00 H new ATOM 0 HE2 TYR A 18 32.091 30.305 18.956 1.00 0.00 H new ATOM 0 HH TYR A 18 30.865 31.184 17.269 1.00 0.00 H new ATOM 298 N GLU A 19 36.375 23.945 17.579 1.00 0.00 N ATOM 299 CA GLU A 19 37.515 23.127 18.039 1.00 0.00 C ATOM 300 C GLU A 19 38.577 23.914 18.843 1.00 0.00 C ATOM 301 O GLU A 19 38.930 25.054 18.512 1.00 0.00 O ATOM 302 CB GLU A 19 38.108 22.267 16.906 1.00 0.00 C ATOM 303 CG GLU A 19 38.892 23.001 15.809 1.00 0.00 C ATOM 304 CD GLU A 19 37.995 23.776 14.838 1.00 0.00 C ATOM 305 OE1 GLU A 19 37.699 24.966 15.092 1.00 0.00 O ATOM 306 OE2 GLU A 19 37.636 23.239 13.759 1.00 0.00 O ATOM 0 H GLU A 19 36.634 24.643 16.882 1.00 0.00 H new ATOM 0 HA GLU A 19 37.101 22.430 18.767 1.00 0.00 H new ATOM 0 HB2 GLU A 19 38.768 21.525 17.355 1.00 0.00 H new ATOM 0 HB3 GLU A 19 37.292 21.722 16.432 1.00 0.00 H new ATOM 0 HG2 GLU A 19 39.594 23.693 16.275 1.00 0.00 H new ATOM 0 HG3 GLU A 19 39.483 22.277 15.248 1.00 0.00 H new ATOM 313 N VAL A 20 39.056 23.292 19.927 1.00 0.00 N ATOM 314 CA VAL A 20 39.727 23.897 21.095 1.00 0.00 C ATOM 315 C VAL A 20 40.780 22.972 21.722 1.00 0.00 C ATOM 316 O VAL A 20 40.994 21.838 21.278 1.00 0.00 O ATOM 317 CB VAL A 20 38.683 24.262 22.177 1.00 0.00 C ATOM 318 CG1 VAL A 20 37.737 25.348 21.680 1.00 0.00 C ATOM 319 CG2 VAL A 20 37.854 23.066 22.673 1.00 0.00 C ATOM 0 H VAL A 20 38.982 22.279 20.023 1.00 0.00 H new ATOM 0 HA VAL A 20 40.237 24.789 20.731 1.00 0.00 H new ATOM 0 HB VAL A 20 39.267 24.624 23.023 1.00 0.00 H new ATOM 0 HG11 VAL A 20 37.014 25.585 22.460 1.00 0.00 H new ATOM 0 HG12 VAL A 20 38.308 26.242 21.431 1.00 0.00 H new ATOM 0 HG13 VAL A 20 37.211 24.995 20.793 1.00 0.00 H new ATOM 0 HG21 VAL A 20 37.145 23.403 23.429 1.00 0.00 H new ATOM 0 HG22 VAL A 20 37.310 22.628 21.836 1.00 0.00 H new ATOM 0 HG23 VAL A 20 38.518 22.318 23.106 1.00 0.00 H new ATOM 329 N CYS A 21 41.463 23.459 22.762 1.00 0.00 N ATOM 330 CA CYS A 21 42.405 22.691 23.576 1.00 0.00 C ATOM 331 C CYS A 21 41.882 22.371 24.987 1.00 0.00 C ATOM 332 O CYS A 21 40.933 22.964 25.498 1.00 0.00 O ATOM 333 CB CYS A 21 43.735 23.445 23.633 1.00 0.00 C ATOM 334 SG CYS A 21 45.101 22.261 23.769 1.00 0.00 S ATOM 0 H CYS A 21 41.372 24.428 23.069 1.00 0.00 H new ATOM 0 HA CYS A 21 42.542 21.721 23.099 1.00 0.00 H new ATOM 0 HB2 CYS A 21 43.857 24.055 22.738 1.00 0.00 H new ATOM 0 HB3 CYS A 21 43.743 24.124 24.485 1.00 0.00 H new ATOM 0 HG CYS A 21 46.230 22.904 23.815 1.00 0.00 H new ATOM 340 N GLU A 22 42.543 21.418 25.635 1.00 0.00 N ATOM 341 CA GLU A 22 42.281 20.964 26.995 1.00 0.00 C ATOM 342 C GLU A 22 42.708 21.999 28.062 1.00 0.00 C ATOM 343 O GLU A 22 43.739 22.662 27.908 1.00 0.00 O ATOM 344 CB GLU A 22 43.012 19.624 27.141 1.00 0.00 C ATOM 345 CG GLU A 22 42.418 18.799 28.275 1.00 0.00 C ATOM 346 CD GLU A 22 43.083 17.427 28.448 1.00 0.00 C ATOM 347 OE1 GLU A 22 43.982 17.061 27.653 1.00 0.00 O ATOM 348 OE2 GLU A 22 42.693 16.687 29.383 1.00 0.00 O ATOM 0 H GLU A 22 43.317 20.915 25.202 1.00 0.00 H new ATOM 0 HA GLU A 22 41.211 20.841 27.165 1.00 0.00 H new ATOM 0 HB2 GLU A 22 42.946 19.066 26.207 1.00 0.00 H new ATOM 0 HB3 GLU A 22 44.070 19.802 27.332 1.00 0.00 H new ATOM 0 HG2 GLU A 22 42.509 19.358 29.206 1.00 0.00 H new ATOM 0 HG3 GLU A 22 41.353 18.657 28.091 1.00 0.00 H new ATOM 355 N GLY A 23 41.938 22.160 29.150 1.00 0.00 N ATOM 356 CA GLY A 23 42.198 23.140 30.211 1.00 0.00 C ATOM 357 C GLY A 23 41.491 24.482 30.011 1.00 0.00 C ATOM 358 O GLY A 23 41.294 25.215 30.980 1.00 0.00 O ATOM 0 H GLY A 23 41.102 21.601 29.318 1.00 0.00 H new ATOM 0 HA2 GLY A 23 41.886 22.717 31.166 1.00 0.00 H new ATOM 0 HA3 GLY A 23 43.272 23.314 30.275 1.00 0.00 H new ATOM 362 N GLU A 24 41.053 24.795 28.789 1.00 0.00 N ATOM 363 CA GLU A 24 40.308 26.016 28.489 1.00 0.00 C ATOM 364 C GLU A 24 38.915 26.009 29.144 1.00 0.00 C ATOM 365 O GLU A 24 38.178 25.026 29.083 1.00 0.00 O ATOM 366 CB GLU A 24 40.210 26.213 26.970 1.00 0.00 C ATOM 367 CG GLU A 24 41.581 26.323 26.284 1.00 0.00 C ATOM 368 CD GLU A 24 42.352 27.592 26.672 1.00 0.00 C ATOM 369 OE1 GLU A 24 41.859 28.722 26.437 1.00 0.00 O ATOM 370 OE2 GLU A 24 43.491 27.489 27.191 1.00 0.00 O ATOM 0 H GLU A 24 41.208 24.201 27.974 1.00 0.00 H new ATOM 0 HA GLU A 24 40.852 26.859 28.914 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.660 25.378 26.537 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.634 27.115 26.764 1.00 0.00 H new ATOM 0 HG2 GLU A 24 42.180 25.449 26.541 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.441 26.307 25.203 1.00 0.00 H new ATOM 377 N THR A 25 38.576 27.122 29.789 1.00 0.00 N ATOM 378 CA THR A 25 37.335 27.413 30.521 1.00 0.00 C ATOM 379 C THR A 25 36.218 27.793 29.550 1.00 0.00 C ATOM 380 O THR A 25 36.475 28.425 28.530 1.00 0.00 O ATOM 381 CB THR A 25 37.657 28.545 31.499 1.00 0.00 C ATOM 382 OG1 THR A 25 38.739 28.181 32.329 1.00 0.00 O ATOM 383 CG2 THR A 25 36.504 28.862 32.426 1.00 0.00 C ATOM 0 H THR A 25 39.215 27.916 29.819 1.00 0.00 H new ATOM 0 HA THR A 25 36.977 26.540 31.067 1.00 0.00 H new ATOM 0 HB THR A 25 37.884 29.413 30.880 1.00 0.00 H new ATOM 0 HG1 THR A 25 38.937 28.914 32.949 1.00 0.00 H new ATOM 0 HG21 THR A 25 36.789 29.672 33.097 1.00 0.00 H new ATOM 0 HG22 THR A 25 35.638 29.165 31.838 1.00 0.00 H new ATOM 0 HG23 THR A 25 36.254 27.977 33.011 1.00 0.00 H new ATOM 391 N ILE A 26 34.960 27.470 29.862 1.00 0.00 N ATOM 392 CA ILE A 26 33.807 27.897 29.042 1.00 0.00 C ATOM 393 C ILE A 26 33.824 29.397 28.712 1.00 0.00 C ATOM 394 O ILE A 26 33.613 29.730 27.550 1.00 0.00 O ATOM 395 CB ILE A 26 32.460 27.413 29.641 1.00 0.00 C ATOM 396 CG1 ILE A 26 32.087 25.974 29.218 1.00 0.00 C ATOM 397 CG2 ILE A 26 31.283 28.328 29.275 1.00 0.00 C ATOM 398 CD1 ILE A 26 33.046 24.864 29.639 1.00 0.00 C ATOM 0 H ILE A 26 34.707 26.913 30.678 1.00 0.00 H new ATOM 0 HA ILE A 26 33.909 27.398 28.078 1.00 0.00 H new ATOM 0 HB ILE A 26 32.628 27.441 30.718 1.00 0.00 H new ATOM 0 HG12 ILE A 26 31.102 25.745 29.625 1.00 0.00 H new ATOM 0 HG13 ILE A 26 31.997 25.951 28.132 1.00 0.00 H new ATOM 0 HG21 ILE A 26 30.368 27.940 29.722 1.00 0.00 H new ATOM 0 HG22 ILE A 26 31.473 29.333 29.652 1.00 0.00 H new ATOM 0 HG23 ILE A 26 31.172 28.362 28.191 1.00 0.00 H new ATOM 0 HD11 ILE A 26 32.672 23.905 29.282 1.00 0.00 H new ATOM 0 HD12 ILE A 26 34.030 25.052 29.210 1.00 0.00 H new ATOM 0 HD13 ILE A 26 33.122 24.842 30.726 1.00 0.00 H new ATOM 410 N LEU A 27 34.125 30.297 29.658 1.00 0.00 N ATOM 411 CA LEU A 27 34.238 31.733 29.361 1.00 0.00 C ATOM 412 C LEU A 27 35.410 32.030 28.412 1.00 0.00 C ATOM 413 O LEU A 27 35.246 32.766 27.442 1.00 0.00 O ATOM 414 CB LEU A 27 34.362 32.525 30.673 1.00 0.00 C ATOM 415 CG LEU A 27 34.085 34.043 30.604 1.00 0.00 C ATOM 416 CD1 LEU A 27 35.276 34.872 30.124 1.00 0.00 C ATOM 417 CD2 LEU A 27 32.849 34.428 29.786 1.00 0.00 C ATOM 0 H LEU A 27 34.295 30.057 30.635 1.00 0.00 H new ATOM 0 HA LEU A 27 33.332 32.050 28.844 1.00 0.00 H new ATOM 0 HB2 LEU A 27 33.676 32.088 31.399 1.00 0.00 H new ATOM 0 HB3 LEU A 27 35.370 32.382 31.061 1.00 0.00 H new ATOM 0 HG LEU A 27 33.888 34.288 31.648 1.00 0.00 H new ATOM 0 HD11 LEU A 27 35.001 35.926 30.103 1.00 0.00 H new ATOM 0 HD12 LEU A 27 36.116 34.730 30.804 1.00 0.00 H new ATOM 0 HD13 LEU A 27 35.562 34.552 29.122 1.00 0.00 H new ATOM 0 HD21 LEU A 27 32.732 35.512 29.792 1.00 0.00 H new ATOM 0 HD22 LEU A 27 32.970 34.082 28.760 1.00 0.00 H new ATOM 0 HD23 LEU A 27 31.964 33.965 30.223 1.00 0.00 H new ATOM 429 N ASP A 28 36.564 31.402 28.651 1.00 0.00 N ATOM 430 CA ASP A 28 37.762 31.518 27.816 1.00 0.00 C ATOM 431 C ASP A 28 37.508 31.093 26.359 1.00 0.00 C ATOM 432 O ASP A 28 38.149 31.659 25.471 1.00 0.00 O ATOM 433 CB ASP A 28 38.912 30.676 28.403 1.00 0.00 C ATOM 434 CG ASP A 28 39.632 31.308 29.597 1.00 0.00 C ATOM 435 OD1 ASP A 28 38.963 31.753 30.554 1.00 0.00 O ATOM 436 OD2 ASP A 28 40.894 31.298 29.602 1.00 0.00 O ATOM 0 H ASP A 28 36.694 30.783 29.451 1.00 0.00 H new ATOM 0 HA ASP A 28 38.039 32.572 27.811 1.00 0.00 H new ATOM 0 HB2 ASP A 28 38.514 29.708 28.708 1.00 0.00 H new ATOM 0 HB3 ASP A 28 39.642 30.487 27.616 1.00 0.00 H new ATOM 441 N ILE A 29 36.581 30.159 26.087 1.00 0.00 N ATOM 442 CA ILE A 29 36.158 29.799 24.719 1.00 0.00 C ATOM 443 C ILE A 29 35.024 30.696 24.243 1.00 0.00 C ATOM 444 O ILE A 29 35.094 31.225 23.138 1.00 0.00 O ATOM 445 CB ILE A 29 35.834 28.286 24.513 1.00 0.00 C ATOM 446 CG1 ILE A 29 36.843 27.359 25.239 1.00 0.00 C ATOM 447 CG2 ILE A 29 36.002 28.101 22.985 1.00 0.00 C ATOM 448 CD1 ILE A 29 36.368 25.925 25.471 1.00 0.00 C ATOM 0 H ILE A 29 36.100 29.628 26.813 1.00 0.00 H new ATOM 0 HA ILE A 29 37.029 29.977 24.089 1.00 0.00 H new ATOM 0 HB ILE A 29 34.850 28.030 24.906 1.00 0.00 H new ATOM 0 HG12 ILE A 29 37.765 27.329 24.658 1.00 0.00 H new ATOM 0 HG13 ILE A 29 37.088 27.803 26.204 1.00 0.00 H new ATOM 0 HG21 ILE A 29 35.797 27.064 22.719 1.00 0.00 H new ATOM 0 HG22 ILE A 29 35.305 28.754 22.461 1.00 0.00 H new ATOM 0 HG23 ILE A 29 37.023 28.354 22.698 1.00 0.00 H new ATOM 0 HD11 ILE A 29 37.147 25.362 25.985 1.00 0.00 H new ATOM 0 HD12 ILE A 29 35.465 25.935 26.082 1.00 0.00 H new ATOM 0 HD13 ILE A 29 36.152 25.454 24.512 1.00 0.00 H new ATOM 460 N ALA A 30 34.010 30.952 25.063 1.00 0.00 N ATOM 461 CA ALA A 30 32.874 31.757 24.653 1.00 0.00 C ATOM 462 C ALA A 30 33.296 33.185 24.236 1.00 0.00 C ATOM 463 O ALA A 30 32.871 33.670 23.187 1.00 0.00 O ATOM 464 CB ALA A 30 31.841 31.724 25.782 1.00 0.00 C ATOM 0 H ALA A 30 33.956 30.609 26.022 1.00 0.00 H new ATOM 0 HA ALA A 30 32.418 31.341 23.754 1.00 0.00 H new ATOM 0 HB1 ALA A 30 30.975 32.322 25.500 1.00 0.00 H new ATOM 0 HB2 ALA A 30 31.529 30.695 25.960 1.00 0.00 H new ATOM 0 HB3 ALA A 30 32.283 32.131 26.691 1.00 0.00 H new ATOM 470 N GLN A 31 34.206 33.820 24.988 1.00 0.00 N ATOM 471 CA GLN A 31 34.844 35.092 24.615 1.00 0.00 C ATOM 472 C GLN A 31 36.079 34.946 23.723 1.00 0.00 C ATOM 473 O GLN A 31 36.281 35.795 22.857 1.00 0.00 O ATOM 474 CB GLN A 31 35.156 35.932 25.850 1.00 0.00 C ATOM 475 CG GLN A 31 33.876 36.484 26.491 1.00 0.00 C ATOM 476 CD GLN A 31 33.033 37.340 25.548 1.00 0.00 C ATOM 477 OE1 GLN A 31 32.077 36.876 24.947 1.00 0.00 O ATOM 478 NE2 GLN A 31 33.358 38.597 25.354 1.00 0.00 N ATOM 0 H GLN A 31 34.525 33.459 25.887 1.00 0.00 H new ATOM 0 HA GLN A 31 34.108 35.614 24.003 1.00 0.00 H new ATOM 0 HB2 GLN A 31 35.696 35.326 26.577 1.00 0.00 H new ATOM 0 HB3 GLN A 31 35.812 36.758 25.574 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.271 35.650 26.848 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.145 37.079 27.364 1.00 0.00 H new ATOM 0 HE21 GLN A 31 34.154 39.000 25.848 1.00 0.00 H new ATOM 0 HE22 GLN A 31 32.815 39.171 24.709 1.00 0.00 H new ATOM 487 N GLY A 32 36.859 33.866 23.831 1.00 0.00 N ATOM 488 CA GLY A 32 37.957 33.598 22.887 1.00 0.00 C ATOM 489 C GLY A 32 37.463 33.509 21.439 1.00 0.00 C ATOM 490 O GLY A 32 38.077 34.069 20.527 1.00 0.00 O ATOM 0 H GLY A 32 36.753 33.161 24.561 1.00 0.00 H new ATOM 0 HA2 GLY A 32 38.704 34.388 22.967 1.00 0.00 H new ATOM 0 HA3 GLY A 32 38.449 32.665 23.160 1.00 0.00 H new ATOM 494 N HIS A 33 36.282 32.919 21.245 1.00 0.00 N ATOM 495 CA HIS A 33 35.606 32.734 19.958 1.00 0.00 C ATOM 496 C HIS A 33 34.504 33.775 19.690 1.00 0.00 C ATOM 497 O HIS A 33 33.806 33.711 18.677 1.00 0.00 O ATOM 498 CB HIS A 33 35.064 31.305 19.915 1.00 0.00 C ATOM 499 CG HIS A 33 35.338 30.626 18.593 1.00 0.00 C ATOM 500 ND1 HIS A 33 34.799 30.944 17.374 1.00 0.00 N flip ATOM 501 CD2 HIS A 33 36.233 29.602 18.373 1.00 0.00 C flip ATOM 502 CE1 HIS A 33 35.349 30.091 16.410 1.00 0.00 C flip ATOM 503 NE2 HIS A 33 36.207 29.293 17.065 1.00 0.00 N flip ATOM 0 H HIS A 33 35.742 32.537 22.022 1.00 0.00 H new ATOM 0 HA HIS A 33 36.328 32.891 19.157 1.00 0.00 H new ATOM 0 HB2 HIS A 33 35.515 30.724 20.719 1.00 0.00 H new ATOM 0 HB3 HIS A 33 33.989 31.321 20.097 1.00 0.00 H new ATOM 0 HD2 HIS A 33 36.850 29.129 19.123 1.00 0.00 H new ATOM 0 HE1 HIS A 33 35.128 30.078 15.353 1.00 0.00 H new ATOM 0 HE2 HIS A 33 36.762 28.555 16.631 1.00 0.00 H new ATOM 511 N ASN A 34 34.327 34.726 20.612 1.00 0.00 N ATOM 512 CA ASN A 34 33.390 35.849 20.521 1.00 0.00 C ATOM 513 C ASN A 34 31.973 35.451 20.090 1.00 0.00 C ATOM 514 O ASN A 34 31.356 36.107 19.244 1.00 0.00 O ATOM 515 CB ASN A 34 34.038 36.988 19.720 1.00 0.00 C ATOM 516 CG ASN A 34 35.149 37.574 20.550 1.00 0.00 C ATOM 517 OD1 ASN A 34 34.900 38.320 21.484 1.00 0.00 O ATOM 518 ND2 ASN A 34 36.370 37.129 20.368 1.00 0.00 N ATOM 0 H ASN A 34 34.858 34.734 21.483 1.00 0.00 H new ATOM 0 HA ASN A 34 33.204 36.234 21.524 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.428 36.613 18.774 1.00 0.00 H new ATOM 0 HB3 ASN A 34 33.299 37.752 19.480 1.00 0.00 H new ATOM 0 HD21 ASN A 34 37.114 37.406 21.008 1.00 0.00 H new ATOM 0 HD22 ASN A 34 36.575 36.506 19.587 1.00 0.00 H new ATOM 525 N LEU A 35 31.465 34.402 20.740 1.00 0.00 N ATOM 526 CA LEU A 35 30.070 33.951 20.624 1.00 0.00 C ATOM 527 C LEU A 35 29.080 35.087 20.931 1.00 0.00 C ATOM 528 O LEU A 35 29.280 35.858 21.873 1.00 0.00 O ATOM 529 CB LEU A 35 29.826 32.829 21.660 1.00 0.00 C ATOM 530 CG LEU A 35 30.401 31.460 21.267 1.00 0.00 C ATOM 531 CD1 LEU A 35 30.296 30.488 22.440 1.00 0.00 C ATOM 532 CD2 LEU A 35 29.646 30.816 20.106 1.00 0.00 C ATOM 0 H LEU A 35 32.020 33.829 21.375 1.00 0.00 H new ATOM 0 HA LEU A 35 29.912 33.606 19.602 1.00 0.00 H new ATOM 0 HB2 LEU A 35 30.261 33.131 22.613 1.00 0.00 H new ATOM 0 HB3 LEU A 35 28.753 32.726 21.818 1.00 0.00 H new ATOM 0 HG LEU A 35 31.435 31.644 20.976 1.00 0.00 H new ATOM 0 HD11 LEU A 35 30.707 29.521 22.149 1.00 0.00 H new ATOM 0 HD12 LEU A 35 30.857 30.880 23.289 1.00 0.00 H new ATOM 0 HD13 LEU A 35 29.250 30.368 22.721 1.00 0.00 H new ATOM 0 HD21 LEU A 35 30.095 29.851 19.871 1.00 0.00 H new ATOM 0 HD22 LEU A 35 28.602 30.672 20.386 1.00 0.00 H new ATOM 0 HD23 LEU A 35 29.701 31.465 19.232 1.00 0.00 H new ATOM 544 N ASP A 36 27.975 35.151 20.183 1.00 0.00 N ATOM 545 CA ASP A 36 26.777 35.900 20.572 1.00 0.00 C ATOM 546 C ASP A 36 26.078 35.185 21.715 1.00 0.00 C ATOM 547 O ASP A 36 25.209 34.320 21.564 1.00 0.00 O ATOM 548 CB ASP A 36 25.871 36.187 19.365 1.00 0.00 C ATOM 549 CG ASP A 36 26.217 37.526 18.717 1.00 0.00 C ATOM 550 OD1 ASP A 36 26.215 38.551 19.446 1.00 0.00 O ATOM 551 OD2 ASP A 36 26.477 37.565 17.490 1.00 0.00 O ATOM 0 H ASP A 36 27.886 34.680 19.283 1.00 0.00 H new ATOM 0 HA ASP A 36 27.065 36.884 20.941 1.00 0.00 H new ATOM 0 HB2 ASP A 36 25.975 35.388 18.631 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.829 36.193 19.683 1.00 0.00 H new ATOM 556 N MET A 37 26.591 35.552 22.884 1.00 0.00 N ATOM 557 CA MET A 37 26.334 34.989 24.183 1.00 0.00 C ATOM 558 C MET A 37 26.773 35.995 25.261 1.00 0.00 C ATOM 559 O MET A 37 27.736 36.748 25.090 1.00 0.00 O ATOM 560 CB MET A 37 27.025 33.625 24.240 1.00 0.00 C ATOM 561 CG MET A 37 28.491 33.661 24.671 1.00 0.00 C ATOM 562 SD MET A 37 28.771 33.686 26.458 1.00 0.00 S ATOM 563 CE MET A 37 30.243 34.739 26.483 1.00 0.00 C ATOM 0 H MET A 37 27.257 36.323 22.939 1.00 0.00 H new ATOM 0 HA MET A 37 25.276 34.811 24.374 1.00 0.00 H new ATOM 0 HB2 MET A 37 26.475 32.984 24.929 1.00 0.00 H new ATOM 0 HB3 MET A 37 26.963 33.162 23.255 1.00 0.00 H new ATOM 0 HG2 MET A 37 28.997 32.791 24.253 1.00 0.00 H new ATOM 0 HG3 MET A 37 28.960 34.543 24.234 1.00 0.00 H new ATOM 0 HE1 MET A 37 30.698 34.704 27.473 1.00 0.00 H new ATOM 0 HE2 MET A 37 30.958 34.382 25.742 1.00 0.00 H new ATOM 0 HE3 MET A 37 29.960 35.765 26.250 1.00 0.00 H new ATOM 573 N GLU A 38 26.016 36.025 26.348 1.00 0.00 N ATOM 574 CA GLU A 38 26.241 36.870 27.538 1.00 0.00 C ATOM 575 C GLU A 38 27.649 36.730 28.181 1.00 0.00 C ATOM 576 O GLU A 38 27.943 35.778 28.905 1.00 0.00 O ATOM 577 CB GLU A 38 25.151 36.552 28.579 1.00 0.00 C ATOM 578 CG GLU A 38 23.725 36.907 28.128 1.00 0.00 C ATOM 579 CD GLU A 38 23.472 38.410 27.962 1.00 0.00 C ATOM 580 OE1 GLU A 38 24.232 39.255 28.498 1.00 0.00 O ATOM 581 OE2 GLU A 38 22.483 38.763 27.277 1.00 0.00 O ATOM 0 H GLU A 38 25.187 35.438 26.440 1.00 0.00 H new ATOM 0 HA GLU A 38 26.186 37.905 27.200 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.191 35.489 28.817 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.374 37.093 29.499 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.522 36.409 27.180 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.017 36.509 28.855 1.00 0.00 H new ATOM 588 N GLY A 39 28.531 37.717 27.958 1.00 0.00 N ATOM 589 CA GLY A 39 29.930 37.723 28.421 1.00 0.00 C ATOM 590 C GLY A 39 30.107 37.905 29.934 1.00 0.00 C ATOM 591 O GLY A 39 30.350 39.021 30.392 1.00 0.00 O ATOM 0 H GLY A 39 28.285 38.558 27.436 1.00 0.00 H new ATOM 0 HA2 GLY A 39 30.400 36.785 28.125 1.00 0.00 H new ATOM 0 HA3 GLY A 39 30.464 38.523 27.908 1.00 0.00 H new ATOM 595 N ALA A 40 30.002 36.831 30.719 1.00 0.00 N ATOM 596 CA ALA A 40 29.844 36.923 32.176 1.00 0.00 C ATOM 597 C ALA A 40 31.100 37.331 32.989 1.00 0.00 C ATOM 598 O ALA A 40 31.040 38.306 33.739 1.00 0.00 O ATOM 599 CB ALA A 40 29.278 35.581 32.650 1.00 0.00 C ATOM 0 H ALA A 40 30.024 35.874 30.366 1.00 0.00 H new ATOM 0 HA ALA A 40 29.169 37.756 32.371 1.00 0.00 H new ATOM 0 HB1 ALA A 40 29.144 35.604 33.731 1.00 0.00 H new ATOM 0 HB2 ALA A 40 28.317 35.401 32.169 1.00 0.00 H new ATOM 0 HB3 ALA A 40 29.970 34.781 32.387 1.00 0.00 H new ATOM 605 N CYS A 41 32.241 36.646 32.842 1.00 0.00 N ATOM 606 CA CYS A 41 33.412 36.815 33.728 1.00 0.00 C ATOM 607 C CYS A 41 34.441 37.846 33.209 1.00 0.00 C ATOM 608 O CYS A 41 34.186 38.569 32.236 1.00 0.00 O ATOM 609 CB CYS A 41 34.047 35.435 33.971 1.00 0.00 C ATOM 610 SG CYS A 41 34.602 34.998 35.635 1.00 0.00 S ATOM 0 H CYS A 41 32.384 35.956 32.105 1.00 0.00 H new ATOM 0 HA CYS A 41 33.064 37.234 34.672 1.00 0.00 H new ATOM 0 HB2 CYS A 41 33.324 34.682 33.658 1.00 0.00 H new ATOM 0 HB3 CYS A 41 34.906 35.348 33.306 1.00 0.00 H new ATOM 615 N GLY A 42 35.614 37.899 33.851 1.00 0.00 N ATOM 616 CA GLY A 42 36.734 38.779 33.494 1.00 0.00 C ATOM 617 C GLY A 42 36.863 40.004 34.401 1.00 0.00 C ATOM 618 O GLY A 42 36.885 41.129 33.897 1.00 0.00 O ATOM 0 H GLY A 42 35.817 37.311 34.660 1.00 0.00 H new ATOM 0 HA2 GLY A 42 37.661 38.208 33.535 1.00 0.00 H new ATOM 0 HA3 GLY A 42 36.610 39.112 32.463 1.00 0.00 H new ATOM 622 N GLY A 43 36.839 39.819 35.725 1.00 0.00 N ATOM 623 CA GLY A 43 36.863 40.918 36.699 1.00 0.00 C ATOM 624 C GLY A 43 35.538 41.687 36.766 1.00 0.00 C ATOM 625 O GLY A 43 35.530 42.915 36.855 1.00 0.00 O ATOM 0 H GLY A 43 36.802 38.895 36.155 1.00 0.00 H new ATOM 0 HA2 GLY A 43 37.094 40.517 37.686 1.00 0.00 H new ATOM 0 HA3 GLY A 43 37.665 41.609 36.440 1.00 0.00 H new ATOM 629 N SER A 44 34.410 40.978 36.644 1.00 0.00 N ATOM 630 CA SER A 44 33.061 41.563 36.550 1.00 0.00 C ATOM 631 C SER A 44 32.521 41.958 37.931 1.00 0.00 C ATOM 632 O SER A 44 31.750 41.213 38.540 1.00 0.00 O ATOM 633 CB SER A 44 32.127 40.582 35.837 1.00 0.00 C ATOM 634 OG SER A 44 32.647 40.270 34.559 1.00 0.00 O ATOM 0 H SER A 44 34.406 39.959 36.607 1.00 0.00 H new ATOM 0 HA SER A 44 33.116 42.481 35.964 1.00 0.00 H new ATOM 0 HB2 SER A 44 32.020 39.673 36.428 1.00 0.00 H new ATOM 0 HB3 SER A 44 31.133 41.018 35.739 1.00 0.00 H new ATOM 0 HG SER A 44 32.132 39.534 34.167 1.00 0.00 H new ATOM 640 N CYS A 45 32.978 43.107 38.442 1.00 0.00 N ATOM 641 CA CYS A 45 33.106 43.420 39.870 1.00 0.00 C ATOM 642 C CYS A 45 34.031 42.396 40.554 1.00 0.00 C ATOM 643 O CYS A 45 35.242 42.616 40.592 1.00 0.00 O ATOM 644 CB CYS A 45 31.732 43.666 40.516 1.00 0.00 C ATOM 645 SG CYS A 45 31.928 44.185 42.248 1.00 0.00 S ATOM 0 H CYS A 45 33.282 43.877 37.846 1.00 0.00 H new ATOM 0 HA CYS A 45 33.611 44.375 40.015 1.00 0.00 H new ATOM 0 HB2 CYS A 45 31.193 44.433 39.959 1.00 0.00 H new ATOM 0 HB3 CYS A 45 31.133 42.757 40.468 1.00 0.00 H new ATOM 0 HG CYS A 45 31.226 45.258 42.461 1.00 0.00 H new ATOM 651 N ALA A 46 33.504 41.249 40.990 1.00 0.00 N ATOM 652 CA ALA A 46 34.291 40.040 41.254 1.00 0.00 C ATOM 653 C ALA A 46 33.954 38.935 40.234 1.00 0.00 C ATOM 654 O ALA A 46 34.821 38.494 39.475 1.00 0.00 O ATOM 655 CB ALA A 46 34.074 39.611 42.711 1.00 0.00 C ATOM 0 H ALA A 46 32.507 41.132 41.172 1.00 0.00 H new ATOM 0 HA ALA A 46 35.354 40.244 41.126 1.00 0.00 H new ATOM 0 HB1 ALA A 46 34.656 38.712 42.916 1.00 0.00 H new ATOM 0 HB2 ALA A 46 34.395 40.411 43.378 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.017 39.404 42.876 1.00 0.00 H new ATOM 661 N CYS A 47 32.687 38.527 40.180 1.00 0.00 N ATOM 662 CA CYS A 47 32.135 37.541 39.248 1.00 0.00 C ATOM 663 C CYS A 47 30.653 37.841 38.953 1.00 0.00 C ATOM 664 O CYS A 47 30.034 38.648 39.651 1.00 0.00 O ATOM 665 CB CYS A 47 32.327 36.133 39.829 1.00 0.00 C ATOM 666 SG CYS A 47 33.565 35.093 39.024 1.00 0.00 S ATOM 0 H CYS A 47 31.980 38.893 40.818 1.00 0.00 H new ATOM 0 HA CYS A 47 32.666 37.598 38.298 1.00 0.00 H new ATOM 0 HB2 CYS A 47 32.595 36.231 40.881 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.369 35.615 39.792 1.00 0.00 H new ATOM 671 N SER A 48 30.081 37.217 37.917 1.00 0.00 N ATOM 672 CA SER A 48 28.711 37.489 37.448 1.00 0.00 C ATOM 673 C SER A 48 27.734 36.327 37.724 1.00 0.00 C ATOM 674 O SER A 48 28.070 35.361 38.403 1.00 0.00 O ATOM 675 CB SER A 48 28.772 37.911 35.975 1.00 0.00 C ATOM 676 OG SER A 48 27.573 38.561 35.593 1.00 0.00 O ATOM 0 H SER A 48 30.559 36.500 37.372 1.00 0.00 H new ATOM 0 HA SER A 48 28.292 38.314 38.025 1.00 0.00 H new ATOM 0 HB2 SER A 48 29.620 38.578 35.817 1.00 0.00 H new ATOM 0 HB3 SER A 48 28.934 37.035 35.346 1.00 0.00 H new ATOM 0 HG SER A 48 27.630 38.825 34.651 1.00 0.00 H new ATOM 682 N THR A 49 26.500 36.432 37.228 1.00 0.00 N ATOM 683 CA THR A 49 25.361 35.502 37.423 1.00 0.00 C ATOM 684 C THR A 49 25.437 34.187 36.615 1.00 0.00 C ATOM 685 O THR A 49 24.389 33.598 36.331 1.00 0.00 O ATOM 686 CB THR A 49 24.017 36.239 37.245 1.00 0.00 C ATOM 687 OG1 THR A 49 22.923 35.435 37.637 1.00 0.00 O ATOM 688 CG2 THR A 49 23.769 36.698 35.806 1.00 0.00 C ATOM 0 H THR A 49 26.241 37.221 36.636 1.00 0.00 H new ATOM 0 HA THR A 49 25.433 35.162 38.456 1.00 0.00 H new ATOM 0 HB THR A 49 24.094 37.116 37.888 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.035 34.531 37.275 1.00 0.00 H new ATOM 0 HG21 THR A 49 22.808 37.209 35.748 1.00 0.00 H new ATOM 0 HG22 THR A 49 24.562 37.380 35.500 1.00 0.00 H new ATOM 0 HG23 THR A 49 23.760 35.832 35.144 1.00 0.00 H new ATOM 696 N CYS A 50 26.602 33.852 36.045 1.00 0.00 N ATOM 697 CA CYS A 50 26.747 32.880 34.958 1.00 0.00 C ATOM 698 C CYS A 50 26.066 31.524 35.205 1.00 0.00 C ATOM 699 O CYS A 50 25.926 31.050 36.331 1.00 0.00 O ATOM 700 CB CYS A 50 28.229 32.689 34.613 1.00 0.00 C ATOM 701 SG CYS A 50 29.281 31.773 35.757 1.00 0.00 S ATOM 0 H CYS A 50 27.490 34.260 36.335 1.00 0.00 H new ATOM 0 HA CYS A 50 26.215 33.310 34.109 1.00 0.00 H new ATOM 0 HB2 CYS A 50 28.280 32.189 33.646 1.00 0.00 H new ATOM 0 HB3 CYS A 50 28.667 33.679 34.483 1.00 0.00 H new ATOM 706 N HIS A 51 25.619 30.896 34.118 1.00 0.00 N ATOM 707 CA HIS A 51 24.957 29.596 34.128 1.00 0.00 C ATOM 708 C HIS A 51 25.156 28.896 32.773 1.00 0.00 C ATOM 709 O HIS A 51 24.769 29.440 31.735 1.00 0.00 O ATOM 710 CB HIS A 51 23.472 29.771 34.515 1.00 0.00 C ATOM 711 CG HIS A 51 22.756 30.967 33.918 1.00 0.00 C ATOM 712 ND1 HIS A 51 22.749 32.240 34.441 1.00 0.00 N ATOM 713 CD2 HIS A 51 21.952 30.992 32.808 1.00 0.00 C ATOM 714 CE1 HIS A 51 21.972 33.014 33.668 1.00 0.00 C ATOM 715 NE2 HIS A 51 21.467 32.302 32.646 1.00 0.00 N ATOM 0 H HIS A 51 25.711 31.290 33.182 1.00 0.00 H new ATOM 0 HA HIS A 51 25.404 28.947 34.881 1.00 0.00 H new ATOM 0 HB2 HIS A 51 22.934 28.869 34.222 1.00 0.00 H new ATOM 0 HB3 HIS A 51 23.408 29.842 35.601 1.00 0.00 H new ATOM 0 HD1 HIS A 51 23.250 32.544 35.276 1.00 0.00 H new ATOM 0 HD2 HIS A 51 21.729 30.151 32.168 1.00 0.00 H new ATOM 0 HE1 HIS A 51 21.779 34.062 33.843 1.00 0.00 H new ATOM 723 N VAL A 52 25.698 27.674 32.782 1.00 0.00 N ATOM 724 CA VAL A 52 25.729 26.769 31.619 1.00 0.00 C ATOM 725 C VAL A 52 24.859 25.576 31.900 1.00 0.00 C ATOM 726 O VAL A 52 24.803 25.108 33.034 1.00 0.00 O ATOM 727 CB VAL A 52 27.111 26.172 31.263 1.00 0.00 C ATOM 728 CG1 VAL A 52 27.791 26.985 30.183 1.00 0.00 C ATOM 729 CG2 VAL A 52 28.061 25.916 32.434 1.00 0.00 C ATOM 0 H VAL A 52 26.137 27.275 33.612 1.00 0.00 H new ATOM 0 HA VAL A 52 25.403 27.397 30.790 1.00 0.00 H new ATOM 0 HB VAL A 52 26.877 25.175 30.891 1.00 0.00 H new ATOM 0 HG11 VAL A 52 28.760 26.544 29.952 1.00 0.00 H new ATOM 0 HG12 VAL A 52 27.171 26.990 29.286 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.932 28.008 30.532 1.00 0.00 H new ATOM 0 HG21 VAL A 52 28.995 25.498 32.060 1.00 0.00 H new ATOM 0 HG22 VAL A 52 28.264 26.855 32.949 1.00 0.00 H new ATOM 0 HG23 VAL A 52 27.601 25.213 33.128 1.00 0.00 H new ATOM 739 N ILE A 53 24.286 24.997 30.854 1.00 0.00 N ATOM 740 CA ILE A 53 23.665 23.704 30.945 1.00 0.00 C ATOM 741 C ILE A 53 24.169 22.747 29.866 1.00 0.00 C ATOM 742 O ILE A 53 24.120 23.002 28.668 1.00 0.00 O ATOM 743 CB ILE A 53 22.140 23.863 31.031 1.00 0.00 C ATOM 744 CG1 ILE A 53 21.586 22.454 31.259 1.00 0.00 C ATOM 745 CG2 ILE A 53 21.550 24.638 29.838 1.00 0.00 C ATOM 746 CD1 ILE A 53 20.402 22.071 30.434 1.00 0.00 C ATOM 0 H ILE A 53 24.244 25.417 29.926 1.00 0.00 H new ATOM 0 HA ILE A 53 23.965 23.215 31.872 1.00 0.00 H new ATOM 0 HB ILE A 53 21.837 24.499 31.863 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.384 21.737 31.067 1.00 0.00 H new ATOM 0 HG13 ILE A 53 21.317 22.358 32.311 1.00 0.00 H new ATOM 0 HG21 ILE A 53 20.469 24.718 29.955 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.986 25.636 29.801 1.00 0.00 H new ATOM 0 HG23 ILE A 53 21.777 24.109 28.912 1.00 0.00 H new ATOM 0 HD11 ILE A 53 20.099 21.054 30.682 1.00 0.00 H new ATOM 0 HD12 ILE A 53 19.579 22.755 30.640 1.00 0.00 H new ATOM 0 HD13 ILE A 53 20.662 22.124 29.377 1.00 0.00 H new ATOM 758 N VAL A 54 24.559 21.561 30.309 1.00 0.00 N ATOM 759 CA VAL A 54 25.222 20.546 29.514 1.00 0.00 C ATOM 760 C VAL A 54 24.264 19.503 28.958 1.00 0.00 C ATOM 761 O VAL A 54 23.189 19.245 29.499 1.00 0.00 O ATOM 762 CB VAL A 54 26.310 19.929 30.398 1.00 0.00 C ATOM 763 CG1 VAL A 54 25.787 18.952 31.388 1.00 0.00 C ATOM 764 CG2 VAL A 54 27.426 19.172 29.671 1.00 0.00 C ATOM 0 H VAL A 54 24.414 21.270 31.276 1.00 0.00 H new ATOM 0 HA VAL A 54 25.662 21.000 28.626 1.00 0.00 H new ATOM 0 HB VAL A 54 26.712 20.830 30.862 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.613 18.556 31.979 1.00 0.00 H new ATOM 0 HG12 VAL A 54 25.074 19.448 32.047 1.00 0.00 H new ATOM 0 HG13 VAL A 54 25.290 18.135 30.865 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.136 18.781 30.400 1.00 0.00 H new ATOM 0 HG22 VAL A 54 26.996 18.346 29.104 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.942 19.849 28.990 1.00 0.00 H new ATOM 774 N ASP A 55 24.707 18.869 27.883 1.00 0.00 N ATOM 775 CA ASP A 55 24.165 17.595 27.423 1.00 0.00 C ATOM 776 C ASP A 55 24.167 16.541 28.564 1.00 0.00 C ATOM 777 O ASP A 55 25.203 16.388 29.229 1.00 0.00 O ATOM 778 CB ASP A 55 25.159 17.139 26.356 1.00 0.00 C ATOM 779 CG ASP A 55 24.741 15.939 25.508 1.00 0.00 C ATOM 780 OD1 ASP A 55 23.936 15.087 25.952 1.00 0.00 O ATOM 781 OD2 ASP A 55 25.215 15.881 24.349 1.00 0.00 O ATOM 0 H ASP A 55 25.462 19.227 27.297 1.00 0.00 H new ATOM 0 HA ASP A 55 23.139 17.699 27.071 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.353 17.978 25.688 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.102 16.898 26.848 1.00 0.00 H new ATOM 786 N PRO A 56 23.113 15.718 28.735 1.00 0.00 N ATOM 787 CA PRO A 56 23.106 14.602 29.691 1.00 0.00 C ATOM 788 C PRO A 56 24.173 13.519 29.445 1.00 0.00 C ATOM 789 O PRO A 56 24.455 12.734 30.351 1.00 0.00 O ATOM 790 CB PRO A 56 21.687 14.024 29.634 1.00 0.00 C ATOM 791 CG PRO A 56 20.839 15.209 29.173 1.00 0.00 C ATOM 792 CD PRO A 56 21.773 15.932 28.208 1.00 0.00 C ATOM 0 HA PRO A 56 23.372 14.976 30.680 1.00 0.00 H new ATOM 0 HB2 PRO A 56 21.621 13.188 28.937 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.365 13.654 30.607 1.00 0.00 H new ATOM 0 HG2 PRO A 56 19.922 14.884 28.682 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.546 15.846 30.007 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.680 15.533 27.198 1.00 0.00 H new ATOM 0 HD3 PRO A 56 21.537 16.995 28.154 1.00 0.00 H new ATOM 800 N ASP A 57 24.800 13.502 28.264 1.00 0.00 N ATOM 801 CA ASP A 57 25.962 12.671 27.940 1.00 0.00 C ATOM 802 C ASP A 57 27.204 13.200 28.665 1.00 0.00 C ATOM 803 O ASP A 57 27.946 12.405 29.241 1.00 0.00 O ATOM 804 CB ASP A 57 26.227 12.645 26.414 1.00 0.00 C ATOM 805 CG ASP A 57 25.738 11.379 25.697 1.00 0.00 C ATOM 806 OD1 ASP A 57 24.508 11.134 25.650 1.00 0.00 O ATOM 807 OD2 ASP A 57 26.573 10.636 25.126 1.00 0.00 O ATOM 0 H ASP A 57 24.502 14.086 27.482 1.00 0.00 H new ATOM 0 HA ASP A 57 25.748 11.654 28.270 1.00 0.00 H new ATOM 0 HB2 ASP A 57 25.745 13.511 25.961 1.00 0.00 H new ATOM 0 HB3 ASP A 57 27.298 12.751 26.244 1.00 0.00 H new ATOM 812 N TYR A 58 27.449 14.522 28.663 1.00 0.00 N ATOM 813 CA TYR A 58 28.730 15.048 29.102 1.00 0.00 C ATOM 814 C TYR A 58 28.747 15.513 30.556 1.00 0.00 C ATOM 815 O TYR A 58 29.794 15.404 31.188 1.00 0.00 O ATOM 816 CB TYR A 58 29.119 16.138 28.121 1.00 0.00 C ATOM 817 CG TYR A 58 29.494 15.579 26.766 1.00 0.00 C ATOM 818 CD1 TYR A 58 30.795 15.104 26.523 1.00 0.00 C ATOM 819 CD2 TYR A 58 28.511 15.468 25.772 1.00 0.00 C ATOM 820 CE1 TYR A 58 31.114 14.546 25.270 1.00 0.00 C ATOM 821 CE2 TYR A 58 28.825 14.933 24.513 1.00 0.00 C ATOM 822 CZ TYR A 58 30.133 14.459 24.260 1.00 0.00 C ATOM 823 OH TYR A 58 30.462 13.917 23.060 1.00 0.00 O ATOM 0 H TYR A 58 26.778 15.230 28.364 1.00 0.00 H new ATOM 0 HA TYR A 58 29.472 14.250 29.098 1.00 0.00 H new ATOM 0 HB2 TYR A 58 28.289 16.836 28.008 1.00 0.00 H new ATOM 0 HB3 TYR A 58 29.959 16.704 28.524 1.00 0.00 H new ATOM 0 HD1 TYR A 58 31.547 15.167 27.295 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.503 15.797 25.977 1.00 0.00 H new ATOM 0 HE1 TYR A 58 32.114 14.183 25.082 1.00 0.00 H new ATOM 0 HE2 TYR A 58 28.071 14.884 23.741 1.00 0.00 H new ATOM 0 HH TYR A 58 31.429 13.993 22.921 1.00 0.00 H new ATOM 833 N TYR A 59 27.603 15.926 31.127 1.00 0.00 N ATOM 834 CA TYR A 59 27.470 16.137 32.596 1.00 0.00 C ATOM 835 C TYR A 59 27.962 14.957 33.386 1.00 0.00 C ATOM 836 O TYR A 59 28.406 15.092 34.525 1.00 0.00 O ATOM 837 CB TYR A 59 25.998 16.191 33.038 1.00 0.00 C ATOM 838 CG TYR A 59 25.642 16.995 34.294 1.00 0.00 C ATOM 839 CD1 TYR A 59 26.032 18.338 34.416 1.00 0.00 C ATOM 840 CD2 TYR A 59 24.847 16.444 35.320 1.00 0.00 C ATOM 841 CE1 TYR A 59 25.562 19.151 35.441 1.00 0.00 C ATOM 842 CE2 TYR A 59 24.473 17.223 36.437 1.00 0.00 C ATOM 843 CZ TYR A 59 24.813 18.593 36.491 1.00 0.00 C ATOM 844 OH TYR A 59 24.399 19.390 37.505 1.00 0.00 O ATOM 0 H TYR A 59 26.751 16.123 30.601 1.00 0.00 H new ATOM 0 HA TYR A 59 28.027 17.057 32.774 1.00 0.00 H new ATOM 0 HB2 TYR A 59 25.417 16.596 32.209 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.660 15.166 33.193 1.00 0.00 H new ATOM 0 HD1 TYR A 59 26.718 18.752 33.692 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.521 15.417 35.251 1.00 0.00 H new ATOM 0 HE1 TYR A 59 25.772 20.210 35.430 1.00 0.00 H new ATOM 0 HE2 TYR A 59 23.926 16.771 37.251 1.00 0.00 H new ATOM 0 HH TYR A 59 24.347 20.317 37.192 1.00 0.00 H new ATOM 854 N ASP A 60 27.776 13.777 32.800 1.00 0.00 N ATOM 855 CA ASP A 60 27.799 12.582 33.605 1.00 0.00 C ATOM 856 C ASP A 60 29.245 12.185 33.996 1.00 0.00 C ATOM 857 O ASP A 60 29.484 11.196 34.696 1.00 0.00 O ATOM 858 CB ASP A 60 27.075 11.488 32.840 1.00 0.00 C ATOM 859 CG ASP A 60 26.469 10.426 33.755 1.00 0.00 C ATOM 860 OD1 ASP A 60 25.760 10.776 34.726 1.00 0.00 O ATOM 861 OD2 ASP A 60 26.670 9.217 33.485 1.00 0.00 O ATOM 0 H ASP A 60 27.614 13.634 31.803 1.00 0.00 H new ATOM 0 HA ASP A 60 27.285 12.754 34.551 1.00 0.00 H new ATOM 0 HB2 ASP A 60 26.285 11.935 32.237 1.00 0.00 H new ATOM 0 HB3 ASP A 60 27.772 11.012 32.150 1.00 0.00 H new ATOM 866 N ALA A 61 30.204 12.963 33.476 1.00 0.00 N ATOM 867 CA ALA A 61 31.644 12.912 33.706 1.00 0.00 C ATOM 868 C ALA A 61 32.196 14.242 34.273 1.00 0.00 C ATOM 869 O ALA A 61 33.413 14.439 34.315 1.00 0.00 O ATOM 870 CB ALA A 61 32.308 12.492 32.388 1.00 0.00 C ATOM 0 H ALA A 61 29.963 13.710 32.825 1.00 0.00 H new ATOM 0 HA ALA A 61 31.878 12.177 34.476 1.00 0.00 H new ATOM 0 HB1 ALA A 61 33.388 12.444 32.524 1.00 0.00 H new ATOM 0 HB2 ALA A 61 31.936 11.512 32.089 1.00 0.00 H new ATOM 0 HB3 ALA A 61 32.072 13.222 31.613 1.00 0.00 H new ATOM 876 N LEU A 62 31.314 15.172 34.671 1.00 0.00 N ATOM 877 CA LEU A 62 31.708 16.503 35.180 1.00 0.00 C ATOM 878 C LEU A 62 31.910 16.560 36.712 1.00 0.00 C ATOM 879 O LEU A 62 31.094 16.020 37.465 1.00 0.00 O ATOM 880 CB LEU A 62 30.669 17.555 34.748 1.00 0.00 C ATOM 881 CG LEU A 62 30.740 17.952 33.270 1.00 0.00 C ATOM 882 CD1 LEU A 62 29.838 19.160 33.044 1.00 0.00 C ATOM 883 CD2 LEU A 62 32.145 18.322 32.804 1.00 0.00 C ATOM 0 H LEU A 62 30.305 15.026 34.650 1.00 0.00 H new ATOM 0 HA LEU A 62 32.682 16.720 34.740 1.00 0.00 H new ATOM 0 HB2 LEU A 62 29.672 17.170 34.960 1.00 0.00 H new ATOM 0 HB3 LEU A 62 30.801 18.449 35.358 1.00 0.00 H new ATOM 0 HG LEU A 62 30.423 17.081 32.696 1.00 0.00 H new ATOM 0 HD11 LEU A 62 29.879 19.454 31.995 1.00 0.00 H new ATOM 0 HD12 LEU A 62 28.812 18.903 33.309 1.00 0.00 H new ATOM 0 HD13 LEU A 62 30.177 19.988 33.666 1.00 0.00 H new ATOM 0 HD21 LEU A 62 32.119 18.592 31.748 1.00 0.00 H new ATOM 0 HD22 LEU A 62 32.510 19.168 33.386 1.00 0.00 H new ATOM 0 HD23 LEU A 62 32.811 17.471 32.944 1.00 0.00 H new ATOM 895 N PRO A 63 32.894 17.336 37.205 1.00 0.00 N ATOM 896 CA PRO A 63 33.029 17.683 38.623 1.00 0.00 C ATOM 897 C PRO A 63 31.984 18.721 39.069 1.00 0.00 C ATOM 898 O PRO A 63 31.442 19.470 38.249 1.00 0.00 O ATOM 899 CB PRO A 63 34.454 18.234 38.756 1.00 0.00 C ATOM 900 CG PRO A 63 34.683 18.904 37.401 1.00 0.00 C ATOM 901 CD PRO A 63 33.949 17.983 36.434 1.00 0.00 C ATOM 0 HA PRO A 63 32.857 16.818 39.264 1.00 0.00 H new ATOM 0 HB2 PRO A 63 34.538 18.944 39.578 1.00 0.00 H new ATOM 0 HB3 PRO A 63 35.179 17.442 38.944 1.00 0.00 H new ATOM 0 HG2 PRO A 63 34.280 19.917 37.378 1.00 0.00 H new ATOM 0 HG3 PRO A 63 35.744 18.978 37.161 1.00 0.00 H new ATOM 0 HD2 PRO A 63 33.531 18.548 35.601 1.00 0.00 H new ATOM 0 HD3 PRO A 63 34.629 17.244 36.009 1.00 0.00 H new ATOM 909 N GLU A 64 31.712 18.778 40.373 1.00 0.00 N ATOM 910 CA GLU A 64 30.975 19.869 41.031 1.00 0.00 C ATOM 911 C GLU A 64 31.884 21.074 41.350 1.00 0.00 C ATOM 912 O GLU A 64 33.114 20.940 41.396 1.00 0.00 O ATOM 913 CB GLU A 64 30.331 19.374 42.338 1.00 0.00 C ATOM 914 CG GLU A 64 29.120 18.479 42.082 1.00 0.00 C ATOM 915 CD GLU A 64 28.543 17.984 43.408 1.00 0.00 C ATOM 916 OE1 GLU A 64 27.742 18.704 44.058 1.00 0.00 O ATOM 917 OE2 GLU A 64 28.914 16.866 43.838 1.00 0.00 O ATOM 0 H GLU A 64 32.004 18.048 41.023 1.00 0.00 H new ATOM 0 HA GLU A 64 30.204 20.193 40.332 1.00 0.00 H new ATOM 0 HB2 GLU A 64 31.071 18.824 42.920 1.00 0.00 H new ATOM 0 HB3 GLU A 64 30.027 20.231 42.938 1.00 0.00 H new ATOM 0 HG2 GLU A 64 28.360 19.032 41.529 1.00 0.00 H new ATOM 0 HG3 GLU A 64 29.410 17.630 41.463 1.00 0.00 H new ATOM 924 N PRO A 65 31.300 22.259 41.603 1.00 0.00 N ATOM 925 CA PRO A 65 32.041 23.445 42.018 1.00 0.00 C ATOM 926 C PRO A 65 32.321 23.539 43.523 1.00 0.00 C ATOM 927 O PRO A 65 31.751 22.807 44.337 1.00 0.00 O ATOM 928 CB PRO A 65 31.177 24.619 41.579 1.00 0.00 C ATOM 929 CG PRO A 65 29.773 24.068 41.760 1.00 0.00 C ATOM 930 CD PRO A 65 29.905 22.607 41.352 1.00 0.00 C ATOM 0 HA PRO A 65 33.032 23.423 41.565 1.00 0.00 H new ATOM 0 HB2 PRO A 65 31.350 25.504 42.192 1.00 0.00 H new ATOM 0 HB3 PRO A 65 31.372 24.905 40.545 1.00 0.00 H new ATOM 0 HG2 PRO A 65 29.434 24.167 42.791 1.00 0.00 H new ATOM 0 HG3 PRO A 65 29.052 24.595 41.135 1.00 0.00 H new ATOM 0 HD2 PRO A 65 29.232 21.975 41.931 1.00 0.00 H new ATOM 0 HD3 PRO A 65 29.648 22.468 40.302 1.00 0.00 H new ATOM 938 N GLU A 66 33.162 24.509 43.885 1.00 0.00 N ATOM 939 CA GLU A 66 33.182 25.160 45.198 1.00 0.00 C ATOM 940 C GLU A 66 31.852 25.823 45.596 1.00 0.00 C ATOM 941 O GLU A 66 31.006 26.138 44.758 1.00 0.00 O ATOM 942 CB GLU A 66 34.271 26.248 45.188 1.00 0.00 C ATOM 943 CG GLU A 66 35.649 25.656 45.469 1.00 0.00 C ATOM 944 CD GLU A 66 36.337 25.009 44.272 1.00 0.00 C ATOM 945 OE1 GLU A 66 36.336 25.572 43.149 1.00 0.00 O ATOM 946 OE2 GLU A 66 36.972 23.949 44.473 1.00 0.00 O ATOM 0 H GLU A 66 33.872 24.876 43.252 1.00 0.00 H new ATOM 0 HA GLU A 66 33.376 24.374 45.928 1.00 0.00 H new ATOM 0 HB2 GLU A 66 34.279 26.749 44.220 1.00 0.00 H new ATOM 0 HB3 GLU A 66 34.039 27.005 45.937 1.00 0.00 H new ATOM 0 HG2 GLU A 66 36.294 26.446 45.854 1.00 0.00 H new ATOM 0 HG3 GLU A 66 35.552 24.910 46.258 1.00 0.00 H new ATOM 953 N ASP A 67 31.728 26.133 46.888 1.00 0.00 N ATOM 954 CA ASP A 67 30.576 26.809 47.496 1.00 0.00 C ATOM 955 C ASP A 67 30.345 28.247 46.995 1.00 0.00 C ATOM 956 O ASP A 67 29.242 28.772 47.113 1.00 0.00 O ATOM 957 CB ASP A 67 30.785 26.779 49.015 1.00 0.00 C ATOM 958 CG ASP A 67 29.646 27.440 49.779 1.00 0.00 C ATOM 959 OD1 ASP A 67 28.565 26.812 49.899 1.00 0.00 O ATOM 960 OD2 ASP A 67 29.837 28.574 50.281 1.00 0.00 O ATOM 0 H ASP A 67 32.455 25.912 47.568 1.00 0.00 H new ATOM 0 HA ASP A 67 29.671 26.277 47.202 1.00 0.00 H new ATOM 0 HB2 ASP A 67 30.885 25.744 49.343 1.00 0.00 H new ATOM 0 HB3 ASP A 67 31.721 27.282 49.259 1.00 0.00 H new ATOM 965 N ASP A 68 31.357 28.890 46.416 1.00 0.00 N ATOM 966 CA ASP A 68 31.228 30.173 45.722 1.00 0.00 C ATOM 967 C ASP A 68 30.636 29.957 44.323 1.00 0.00 C ATOM 968 O ASP A 68 29.811 30.740 43.855 1.00 0.00 O ATOM 969 CB ASP A 68 32.630 30.803 45.655 1.00 0.00 C ATOM 970 CG ASP A 68 32.698 32.117 44.873 1.00 0.00 C ATOM 971 OD1 ASP A 68 31.868 33.023 45.116 1.00 0.00 O ATOM 972 OD2 ASP A 68 33.639 32.280 44.057 1.00 0.00 O ATOM 0 H ASP A 68 32.310 28.527 46.415 1.00 0.00 H new ATOM 0 HA ASP A 68 30.551 30.843 46.253 1.00 0.00 H new ATOM 0 HB2 ASP A 68 32.984 30.980 46.671 1.00 0.00 H new ATOM 0 HB3 ASP A 68 33.315 30.088 45.199 1.00 0.00 H new ATOM 977 N GLU A 69 31.052 28.876 43.658 1.00 0.00 N ATOM 978 CA GLU A 69 30.811 28.629 42.235 1.00 0.00 C ATOM 979 C GLU A 69 29.508 27.861 41.921 1.00 0.00 C ATOM 980 O GLU A 69 29.027 27.964 40.797 1.00 0.00 O ATOM 981 CB GLU A 69 32.088 28.045 41.599 1.00 0.00 C ATOM 982 CG GLU A 69 33.113 29.159 41.317 1.00 0.00 C ATOM 983 CD GLU A 69 34.537 28.638 41.092 1.00 0.00 C ATOM 984 OE1 GLU A 69 34.742 27.559 40.491 1.00 0.00 O ATOM 985 OE2 GLU A 69 35.494 29.323 41.533 1.00 0.00 O ATOM 0 H GLU A 69 31.580 28.128 44.108 1.00 0.00 H new ATOM 0 HA GLU A 69 30.609 29.586 41.753 1.00 0.00 H new ATOM 0 HB2 GLU A 69 32.525 27.302 42.266 1.00 0.00 H new ATOM 0 HB3 GLU A 69 31.836 27.532 40.671 1.00 0.00 H new ATOM 0 HG2 GLU A 69 32.796 29.719 40.437 1.00 0.00 H new ATOM 0 HG3 GLU A 69 33.118 29.857 42.154 1.00 0.00 H new ATOM 992 N ASN A 70 28.878 27.161 42.882 1.00 0.00 N ATOM 993 CA ASN A 70 27.443 26.789 42.801 1.00 0.00 C ATOM 994 C ASN A 70 26.503 27.953 43.132 1.00 0.00 C ATOM 995 O ASN A 70 25.364 27.978 42.656 1.00 0.00 O ATOM 996 CB ASN A 70 27.121 25.543 43.662 1.00 0.00 C ATOM 997 CG ASN A 70 27.583 25.605 45.112 1.00 0.00 C ATOM 998 OD1 ASN A 70 27.484 26.623 45.778 1.00 0.00 O ATOM 999 ND2 ASN A 70 28.078 24.522 45.665 1.00 0.00 N ATOM 0 H ASN A 70 29.340 26.837 43.732 1.00 0.00 H new ATOM 0 HA ASN A 70 27.260 26.530 41.758 1.00 0.00 H new ATOM 0 HB2 ASN A 70 26.043 25.385 43.650 1.00 0.00 H new ATOM 0 HB3 ASN A 70 27.576 24.672 43.192 1.00 0.00 H new ATOM 0 HD21 ASN A 70 28.375 24.538 46.641 1.00 0.00 H new ATOM 0 HD22 ASN A 70 28.166 23.665 45.119 1.00 0.00 H new ATOM 1006 N ASP A 71 26.971 28.948 43.884 1.00 0.00 N ATOM 1007 CA ASP A 71 26.115 30.044 44.319 1.00 0.00 C ATOM 1008 C ASP A 71 25.919 31.125 43.256 1.00 0.00 C ATOM 1009 O ASP A 71 24.931 31.837 43.363 1.00 0.00 O ATOM 1010 CB ASP A 71 26.673 30.656 45.606 1.00 0.00 C ATOM 1011 CG ASP A 71 25.584 31.236 46.501 1.00 0.00 C ATOM 1012 OD1 ASP A 71 24.614 30.509 46.834 1.00 0.00 O ATOM 1013 OD2 ASP A 71 25.696 32.412 46.915 1.00 0.00 O ATOM 0 H ASP A 71 27.937 29.015 44.203 1.00 0.00 H new ATOM 0 HA ASP A 71 25.128 29.619 44.502 1.00 0.00 H new ATOM 0 HB2 ASP A 71 27.223 29.893 46.157 1.00 0.00 H new ATOM 0 HB3 ASP A 71 27.385 31.441 45.351 1.00 0.00 H new ATOM 1018 N MET A 72 26.795 31.224 42.243 1.00 0.00 N ATOM 1019 CA MET A 72 26.664 32.155 41.094 1.00 0.00 C ATOM 1020 C MET A 72 25.477 31.786 40.194 1.00 0.00 C ATOM 1021 O MET A 72 24.875 32.645 39.551 1.00 0.00 O ATOM 1022 CB MET A 72 27.949 32.168 40.253 1.00 0.00 C ATOM 1023 CG MET A 72 29.175 32.418 41.124 1.00 0.00 C ATOM 1024 SD MET A 72 30.642 32.987 40.245 1.00 0.00 S ATOM 1025 CE MET A 72 31.720 33.166 41.685 1.00 0.00 C ATOM 0 H MET A 72 27.636 30.649 42.192 1.00 0.00 H new ATOM 0 HA MET A 72 26.489 33.147 41.510 1.00 0.00 H new ATOM 0 HB2 MET A 72 28.057 31.216 39.734 1.00 0.00 H new ATOM 0 HB3 MET A 72 27.879 32.942 39.489 1.00 0.00 H new ATOM 0 HG2 MET A 72 28.917 33.157 41.882 1.00 0.00 H new ATOM 0 HG3 MET A 72 29.421 31.495 41.649 1.00 0.00 H new ATOM 0 HE1 MET A 72 32.684 33.567 41.371 1.00 0.00 H new ATOM 0 HE2 MET A 72 31.260 33.847 42.401 1.00 0.00 H new ATOM 0 HE3 MET A 72 31.867 32.192 42.153 1.00 0.00 H new ATOM 1035 N LEU A 73 25.162 30.491 40.177 1.00 0.00 N ATOM 1036 CA LEU A 73 24.262 29.824 39.243 1.00 0.00 C ATOM 1037 C LEU A 73 22.811 29.950 39.711 1.00 0.00 C ATOM 1038 O LEU A 73 21.959 30.494 39.019 1.00 0.00 O ATOM 1039 CB LEU A 73 24.659 28.339 39.127 1.00 0.00 C ATOM 1040 CG LEU A 73 26.139 27.983 39.287 1.00 0.00 C ATOM 1041 CD1 LEU A 73 26.291 26.469 39.189 1.00 0.00 C ATOM 1042 CD2 LEU A 73 27.005 28.668 38.247 1.00 0.00 C ATOM 0 H LEU A 73 25.554 29.841 40.859 1.00 0.00 H new ATOM 0 HA LEU A 73 24.345 30.299 38.266 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.097 27.782 39.877 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.331 27.980 38.152 1.00 0.00 H new ATOM 0 HG LEU A 73 26.477 28.335 40.262 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.341 26.201 39.301 1.00 0.00 H new ATOM 0 HD12 LEU A 73 25.709 25.993 39.978 1.00 0.00 H new ATOM 0 HD13 LEU A 73 25.932 26.129 38.218 1.00 0.00 H new ATOM 0 HD21 LEU A 73 28.047 28.387 38.399 1.00 0.00 H new ATOM 0 HD22 LEU A 73 26.688 28.361 37.250 1.00 0.00 H new ATOM 0 HD23 LEU A 73 26.903 29.749 38.344 1.00 0.00 H new ATOM 1054 N ASP A 74 22.561 29.507 40.947 1.00 0.00 N ATOM 1055 CA ASP A 74 21.301 29.679 41.682 1.00 0.00 C ATOM 1056 C ASP A 74 20.806 31.131 41.836 1.00 0.00 C ATOM 1057 O ASP A 74 19.691 31.351 42.321 1.00 0.00 O ATOM 1058 CB ASP A 74 21.434 29.035 43.067 1.00 0.00 C ATOM 1059 CG ASP A 74 20.799 27.643 43.112 1.00 0.00 C ATOM 1060 OD1 ASP A 74 19.571 27.537 42.861 1.00 0.00 O ATOM 1061 OD2 ASP A 74 21.513 26.662 43.438 1.00 0.00 O ATOM 0 H ASP A 74 23.260 28.997 41.487 1.00 0.00 H new ATOM 0 HA ASP A 74 20.544 29.188 41.071 1.00 0.00 H new ATOM 0 HB2 ASP A 74 22.488 28.962 43.334 1.00 0.00 H new ATOM 0 HB3 ASP A 74 20.960 29.674 43.812 1.00 0.00 H new ATOM 1066 N LEU A 75 21.598 32.137 41.449 1.00 0.00 N ATOM 1067 CA LEU A 75 21.115 33.513 41.298 1.00 0.00 C ATOM 1068 C LEU A 75 20.117 33.642 40.135 1.00 0.00 C ATOM 1069 O LEU A 75 19.338 34.594 40.099 1.00 0.00 O ATOM 1070 CB LEU A 75 22.307 34.462 41.098 1.00 0.00 C ATOM 1071 CG LEU A 75 23.421 34.343 42.149 1.00 0.00 C ATOM 1072 CD1 LEU A 75 24.445 35.457 41.956 1.00 0.00 C ATOM 1073 CD2 LEU A 75 22.903 34.361 43.588 1.00 0.00 C ATOM 0 H LEU A 75 22.588 32.021 41.233 1.00 0.00 H new ATOM 0 HA LEU A 75 20.584 33.789 42.209 1.00 0.00 H new ATOM 0 HB2 LEU A 75 22.737 34.277 40.114 1.00 0.00 H new ATOM 0 HB3 LEU A 75 21.938 35.488 41.097 1.00 0.00 H new ATOM 0 HG LEU A 75 23.887 33.370 41.994 1.00 0.00 H new ATOM 0 HD11 LEU A 75 25.230 35.363 42.706 1.00 0.00 H new ATOM 0 HD12 LEU A 75 24.883 35.380 40.961 1.00 0.00 H new ATOM 0 HD13 LEU A 75 23.955 36.425 42.063 1.00 0.00 H new ATOM 0 HD21 LEU A 75 23.742 34.273 44.278 1.00 0.00 H new ATOM 0 HD22 LEU A 75 22.377 35.297 43.774 1.00 0.00 H new ATOM 0 HD23 LEU A 75 22.220 33.525 43.739 1.00 0.00 H new ATOM 1085 N ALA A 76 20.106 32.686 39.205 1.00 0.00 N ATOM 1086 CA ALA A 76 19.044 32.453 38.234 1.00 0.00 C ATOM 1087 C ALA A 76 18.075 31.371 38.754 1.00 0.00 C ATOM 1088 O ALA A 76 18.501 30.271 39.132 1.00 0.00 O ATOM 1089 CB ALA A 76 19.705 32.050 36.910 1.00 0.00 C ATOM 0 H ALA A 76 20.875 32.024 39.106 1.00 0.00 H new ATOM 0 HA ALA A 76 18.449 33.353 38.077 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.936 31.868 36.160 1.00 0.00 H new ATOM 0 HB2 ALA A 76 20.360 32.853 36.571 1.00 0.00 H new ATOM 0 HB3 ALA A 76 20.290 31.142 37.057 1.00 0.00 H new ATOM 1095 N TYR A 77 16.768 31.650 38.745 1.00 0.00 N ATOM 1096 CA TYR A 77 15.744 30.701 39.201 1.00 0.00 C ATOM 1097 C TYR A 77 15.713 29.433 38.355 1.00 0.00 C ATOM 1098 O TYR A 77 15.986 29.474 37.151 1.00 0.00 O ATOM 1099 CB TYR A 77 14.352 31.344 39.150 1.00 0.00 C ATOM 1100 CG TYR A 77 13.230 30.516 39.748 1.00 0.00 C ATOM 1101 CD1 TYR A 77 13.255 30.200 41.121 1.00 0.00 C ATOM 1102 CD2 TYR A 77 12.161 30.071 38.944 1.00 0.00 C ATOM 1103 CE1 TYR A 77 12.217 29.440 41.690 1.00 0.00 C ATOM 1104 CE2 TYR A 77 11.111 29.324 39.515 1.00 0.00 C ATOM 1105 CZ TYR A 77 11.137 29.008 40.891 1.00 0.00 C ATOM 1106 OH TYR A 77 10.123 28.303 41.460 1.00 0.00 O ATOM 0 H TYR A 77 16.389 32.540 38.422 1.00 0.00 H new ATOM 0 HA TYR A 77 16.007 30.435 40.225 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.393 32.300 39.672 1.00 0.00 H new ATOM 0 HB3 TYR A 77 14.108 31.559 38.110 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.073 30.542 41.738 1.00 0.00 H new ATOM 0 HD2 TYR A 77 12.147 30.303 37.889 1.00 0.00 H new ATOM 0 HE1 TYR A 77 12.247 29.187 42.739 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.287 28.993 38.900 1.00 0.00 H new ATOM 0 HH TYR A 77 9.456 28.081 40.777 1.00 0.00 H new ATOM 1116 N GLY A 78 15.282 28.330 38.961 1.00 0.00 N ATOM 1117 CA GLY A 78 14.826 27.169 38.214 1.00 0.00 C ATOM 1118 C GLY A 78 15.947 26.309 37.617 1.00 0.00 C ATOM 1119 O GLY A 78 15.778 25.710 36.551 1.00 0.00 O ATOM 0 H GLY A 78 15.240 28.219 39.974 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.220 26.546 38.872 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.176 27.506 37.406 1.00 0.00 H new ATOM 1123 N LEU A 79 17.094 26.262 38.303 1.00 0.00 N ATOM 1124 CA LEU A 79 18.336 25.640 37.840 1.00 0.00 C ATOM 1125 C LEU A 79 18.219 24.130 37.559 1.00 0.00 C ATOM 1126 O LEU A 79 17.770 23.365 38.415 1.00 0.00 O ATOM 1127 CB LEU A 79 19.456 26.082 38.792 1.00 0.00 C ATOM 1128 CG LEU A 79 20.834 25.725 38.233 1.00 0.00 C ATOM 1129 CD1 LEU A 79 21.844 26.822 38.493 1.00 0.00 C ATOM 1130 CD2 LEU A 79 21.372 24.446 38.833 1.00 0.00 C ATOM 0 H LEU A 79 17.185 26.673 39.232 1.00 0.00 H new ATOM 0 HA LEU A 79 18.594 25.994 36.842 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.395 27.158 38.954 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.320 25.605 39.763 1.00 0.00 H new ATOM 0 HG LEU A 79 20.694 25.596 37.160 1.00 0.00 H new ATOM 0 HD11 LEU A 79 22.811 26.532 38.081 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.510 27.744 38.018 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.940 26.981 39.567 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.352 24.229 38.409 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.461 24.560 39.913 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.691 23.625 38.610 1.00 0.00 H new ATOM 1142 N THR A 80 18.618 23.732 36.342 1.00 0.00 N ATOM 1143 CA THR A 80 18.221 22.490 35.660 1.00 0.00 C ATOM 1144 C THR A 80 19.046 21.278 36.095 1.00 0.00 C ATOM 1145 O THR A 80 20.141 21.412 36.642 1.00 0.00 O ATOM 1146 CB THR A 80 18.346 22.645 34.122 1.00 0.00 C ATOM 1147 OG1 THR A 80 18.367 23.995 33.696 1.00 0.00 O ATOM 1148 CG2 THR A 80 17.179 22.003 33.380 1.00 0.00 C ATOM 0 H THR A 80 19.257 24.294 35.779 1.00 0.00 H new ATOM 0 HA THR A 80 17.184 22.313 35.944 1.00 0.00 H new ATOM 0 HB THR A 80 19.291 22.153 33.890 1.00 0.00 H new ATOM 0 HG1 THR A 80 18.449 24.029 32.720 1.00 0.00 H new ATOM 0 HG21 THR A 80 17.312 22.138 32.307 1.00 0.00 H new ATOM 0 HG22 THR A 80 17.143 20.938 33.610 1.00 0.00 H new ATOM 0 HG23 THR A 80 16.247 22.473 33.692 1.00 0.00 H new ATOM 1156 N GLU A 81 18.572 20.077 35.767 1.00 0.00 N ATOM 1157 CA GLU A 81 19.158 18.781 36.138 1.00 0.00 C ATOM 1158 C GLU A 81 20.570 18.528 35.564 1.00 0.00 C ATOM 1159 O GLU A 81 21.250 17.601 36.017 1.00 0.00 O ATOM 1160 CB GLU A 81 18.202 17.655 35.698 1.00 0.00 C ATOM 1161 CG GLU A 81 16.755 17.779 36.209 1.00 0.00 C ATOM 1162 CD GLU A 81 16.655 17.611 37.729 1.00 0.00 C ATOM 1163 OE1 GLU A 81 16.629 16.449 38.198 1.00 0.00 O ATOM 1164 OE2 GLU A 81 16.623 18.623 38.471 1.00 0.00 O ATOM 0 H GLU A 81 17.726 19.972 35.207 1.00 0.00 H new ATOM 0 HA GLU A 81 19.283 18.796 37.221 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.183 17.623 34.609 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.609 16.703 36.038 1.00 0.00 H new ATOM 0 HG2 GLU A 81 16.355 18.753 35.927 1.00 0.00 H new ATOM 0 HG3 GLU A 81 16.135 17.027 35.722 1.00 0.00 H new ATOM 1171 N THR A 82 21.025 19.333 34.594 1.00 0.00 N ATOM 1172 CA THR A 82 22.401 19.355 34.060 1.00 0.00 C ATOM 1173 C THR A 82 22.970 20.779 33.991 1.00 0.00 C ATOM 1174 O THR A 82 23.903 21.060 33.236 1.00 0.00 O ATOM 1175 CB THR A 82 22.540 18.643 32.715 1.00 0.00 C ATOM 1176 OG1 THR A 82 21.707 19.231 31.744 1.00 0.00 O ATOM 1177 CG2 THR A 82 22.175 17.165 32.745 1.00 0.00 C ATOM 0 H THR A 82 20.421 20.017 34.138 1.00 0.00 H new ATOM 0 HA THR A 82 22.998 18.788 34.775 1.00 0.00 H new ATOM 0 HB THR A 82 23.598 18.743 32.474 1.00 0.00 H new ATOM 0 HG1 THR A 82 22.244 19.493 30.967 1.00 0.00 H new ATOM 0 HG21 THR A 82 22.302 16.739 31.750 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.824 16.644 33.449 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.137 17.053 33.058 1.00 0.00 H new ATOM 1185 N SER A 83 22.405 21.718 34.755 1.00 0.00 N ATOM 1186 CA SER A 83 22.953 23.068 34.846 1.00 0.00 C ATOM 1187 C SER A 83 24.144 23.083 35.814 1.00 0.00 C ATOM 1188 O SER A 83 24.108 22.453 36.872 1.00 0.00 O ATOM 1189 CB SER A 83 21.873 24.079 35.176 1.00 0.00 C ATOM 1190 OG SER A 83 22.365 25.404 35.163 1.00 0.00 O ATOM 0 H SER A 83 21.568 21.565 35.318 1.00 0.00 H new ATOM 0 HA SER A 83 23.339 23.375 33.874 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.059 23.988 34.457 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.457 23.857 36.158 1.00 0.00 H new ATOM 0 HG SER A 83 23.105 25.472 34.524 1.00 0.00 H new ATOM 1196 N ARG A 84 25.231 23.737 35.409 1.00 0.00 N ATOM 1197 CA ARG A 84 26.605 23.560 35.933 1.00 0.00 C ATOM 1198 C ARG A 84 27.348 24.891 36.089 1.00 0.00 C ATOM 1199 O ARG A 84 26.894 25.923 35.597 1.00 0.00 O ATOM 1200 CB ARG A 84 27.378 22.584 35.003 1.00 0.00 C ATOM 1201 CG ARG A 84 28.380 21.605 35.663 1.00 0.00 C ATOM 1202 CD ARG A 84 27.934 20.971 36.993 1.00 0.00 C ATOM 1203 NE ARG A 84 28.716 19.778 37.389 1.00 0.00 N ATOM 1204 CZ ARG A 84 28.258 18.763 38.111 1.00 0.00 C ATOM 1205 NH1 ARG A 84 27.107 18.759 38.696 1.00 0.00 N ATOM 1206 NH2 ARG A 84 28.946 17.684 38.307 1.00 0.00 N ATOM 0 H ARG A 84 25.187 24.441 34.672 1.00 0.00 H new ATOM 0 HA ARG A 84 26.541 23.136 36.935 1.00 0.00 H new ATOM 0 HB2 ARG A 84 26.645 21.994 34.452 1.00 0.00 H new ATOM 0 HB3 ARG A 84 27.923 23.179 34.271 1.00 0.00 H new ATOM 0 HG2 ARG A 84 28.593 20.803 34.956 1.00 0.00 H new ATOM 0 HG3 ARG A 84 29.316 22.136 35.834 1.00 0.00 H new ATOM 0 HD2 ARG A 84 28.009 21.719 37.782 1.00 0.00 H new ATOM 0 HD3 ARG A 84 26.883 20.693 36.916 1.00 0.00 H new ATOM 0 HE ARG A 84 29.687 19.732 37.081 1.00 0.00 H new ATOM 0 HH11 ARG A 84 26.492 19.569 38.617 1.00 0.00 H new ATOM 0 HH12 ARG A 84 26.813 17.946 39.237 1.00 0.00 H new ATOM 0 HH21 ARG A 84 29.877 17.592 37.900 1.00 0.00 H new ATOM 0 HH22 ARG A 84 28.557 16.926 38.869 1.00 0.00 H new ATOM 1220 N LEU A 85 28.502 24.854 36.764 1.00 0.00 N ATOM 1221 CA LEU A 85 29.291 26.037 37.130 1.00 0.00 C ATOM 1222 C LEU A 85 29.623 26.967 35.947 1.00 0.00 C ATOM 1223 O LEU A 85 30.268 26.588 34.968 1.00 0.00 O ATOM 1224 CB LEU A 85 30.500 25.648 37.998 1.00 0.00 C ATOM 1225 CG LEU A 85 31.485 24.622 37.396 1.00 0.00 C ATOM 1226 CD1 LEU A 85 32.931 24.903 37.814 1.00 0.00 C ATOM 1227 CD2 LEU A 85 31.186 23.189 37.852 1.00 0.00 C ATOM 0 H LEU A 85 28.924 23.980 37.079 1.00 0.00 H new ATOM 0 HA LEU A 85 28.652 26.663 37.753 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.056 26.556 38.233 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.127 25.249 38.941 1.00 0.00 H new ATOM 0 HG LEU A 85 31.360 24.719 36.318 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.590 24.158 37.368 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.222 25.896 37.472 1.00 0.00 H new ATOM 0 HD13 LEU A 85 33.012 24.856 38.900 1.00 0.00 H new ATOM 0 HD21 LEU A 85 31.906 22.506 37.401 1.00 0.00 H new ATOM 0 HD22 LEU A 85 31.260 23.130 38.938 1.00 0.00 H new ATOM 0 HD23 LEU A 85 30.179 22.911 37.541 1.00 0.00 H new ATOM 1239 N GLY A 86 29.165 28.213 36.068 1.00 0.00 N ATOM 1240 CA GLY A 86 28.303 28.816 35.044 1.00 0.00 C ATOM 1241 C GLY A 86 28.991 29.342 33.799 1.00 0.00 C ATOM 1242 O GLY A 86 28.383 29.439 32.735 1.00 0.00 O ATOM 0 H GLY A 86 29.373 28.823 36.858 1.00 0.00 H new ATOM 0 HA2 GLY A 86 27.567 28.073 34.738 1.00 0.00 H new ATOM 0 HA3 GLY A 86 27.754 29.638 35.503 1.00 0.00 H new ATOM 1246 N CYS A 87 30.279 29.615 33.926 1.00 0.00 N ATOM 1247 CA CYS A 87 31.185 29.856 32.826 1.00 0.00 C ATOM 1248 C CYS A 87 32.548 29.178 33.070 1.00 0.00 C ATOM 1249 O CYS A 87 33.494 29.413 32.327 1.00 0.00 O ATOM 1250 CB CYS A 87 31.247 31.373 32.607 1.00 0.00 C ATOM 1251 SG CYS A 87 32.305 32.365 33.684 1.00 0.00 S ATOM 0 H CYS A 87 30.736 29.676 34.836 1.00 0.00 H new ATOM 0 HA CYS A 87 30.831 29.401 31.901 1.00 0.00 H new ATOM 0 HB2 CYS A 87 31.568 31.545 31.580 1.00 0.00 H new ATOM 0 HB3 CYS A 87 30.232 31.761 32.693 1.00 0.00 H new ATOM 1256 N GLN A 88 32.649 28.324 34.105 1.00 0.00 N ATOM 1257 CA GLN A 88 33.878 28.110 34.888 1.00 0.00 C ATOM 1258 C GLN A 88 34.430 26.666 34.877 1.00 0.00 C ATOM 1259 O GLN A 88 35.597 26.449 35.223 1.00 0.00 O ATOM 1260 CB GLN A 88 33.584 28.621 36.312 1.00 0.00 C ATOM 1261 CG GLN A 88 34.812 28.813 37.220 1.00 0.00 C ATOM 1262 CD GLN A 88 35.841 29.764 36.617 1.00 0.00 C ATOM 1263 OE1 GLN A 88 36.984 29.409 36.348 1.00 0.00 O ATOM 1264 NE2 GLN A 88 35.466 30.996 36.371 1.00 0.00 N ATOM 0 H GLN A 88 31.866 27.754 34.425 1.00 0.00 H new ATOM 0 HA GLN A 88 34.690 28.666 34.420 1.00 0.00 H new ATOM 0 HB2 GLN A 88 33.060 29.574 36.235 1.00 0.00 H new ATOM 0 HB3 GLN A 88 32.903 27.921 36.796 1.00 0.00 H new ATOM 0 HG2 GLN A 88 34.488 29.199 38.187 1.00 0.00 H new ATOM 0 HG3 GLN A 88 35.279 27.845 37.403 1.00 0.00 H new ATOM 0 HE21 GLN A 88 34.516 31.294 36.594 1.00 0.00 H new ATOM 0 HE22 GLN A 88 36.124 31.656 35.957 1.00 0.00 H new ATOM 1273 N ILE A 89 33.632 25.677 34.450 1.00 0.00 N ATOM 1274 CA ILE A 89 34.135 24.343 34.059 1.00 0.00 C ATOM 1275 C ILE A 89 34.973 24.452 32.759 1.00 0.00 C ATOM 1276 O ILE A 89 34.935 25.473 32.067 1.00 0.00 O ATOM 1277 CB ILE A 89 33.004 23.280 34.136 1.00 0.00 C ATOM 1278 CG1 ILE A 89 33.506 21.835 33.925 1.00 0.00 C ATOM 1279 CG2 ILE A 89 31.719 23.592 33.347 1.00 0.00 C ATOM 1280 CD1 ILE A 89 33.402 21.288 32.497 1.00 0.00 C ATOM 0 H ILE A 89 32.620 25.774 34.364 1.00 0.00 H new ATOM 0 HA ILE A 89 34.856 23.949 34.775 1.00 0.00 H new ATOM 0 HB ILE A 89 32.680 23.353 35.174 1.00 0.00 H new ATOM 0 HG12 ILE A 89 34.549 21.785 34.237 1.00 0.00 H new ATOM 0 HG13 ILE A 89 32.944 21.176 34.587 1.00 0.00 H new ATOM 0 HG21 ILE A 89 31.005 22.779 33.478 1.00 0.00 H new ATOM 0 HG22 ILE A 89 31.282 24.521 33.715 1.00 0.00 H new ATOM 0 HG23 ILE A 89 31.958 23.698 32.289 1.00 0.00 H new ATOM 0 HD11 ILE A 89 33.783 20.267 32.470 1.00 0.00 H new ATOM 0 HD12 ILE A 89 32.359 21.294 32.180 1.00 0.00 H new ATOM 0 HD13 ILE A 89 33.990 21.913 31.824 1.00 0.00 H new ATOM 1292 N LYS A 90 35.814 23.450 32.480 1.00 0.00 N ATOM 1293 CA LYS A 90 36.888 23.452 31.478 1.00 0.00 C ATOM 1294 C LYS A 90 36.839 22.222 30.559 1.00 0.00 C ATOM 1295 O LYS A 90 36.113 21.269 30.821 1.00 0.00 O ATOM 1296 CB LYS A 90 38.266 23.561 32.179 1.00 0.00 C ATOM 1297 CG LYS A 90 38.414 22.841 33.538 1.00 0.00 C ATOM 1298 CD LYS A 90 38.626 21.328 33.375 1.00 0.00 C ATOM 1299 CE LYS A 90 40.080 21.001 33.014 1.00 0.00 C ATOM 1300 NZ LYS A 90 40.265 19.563 32.741 1.00 0.00 N ATOM 0 H LYS A 90 35.760 22.561 32.978 1.00 0.00 H new ATOM 0 HA LYS A 90 36.738 24.323 30.840 1.00 0.00 H new ATOM 0 HB2 LYS A 90 39.024 23.168 31.502 1.00 0.00 H new ATOM 0 HB3 LYS A 90 38.489 24.617 32.328 1.00 0.00 H new ATOM 0 HG2 LYS A 90 39.256 23.267 34.083 1.00 0.00 H new ATOM 0 HG3 LYS A 90 37.523 23.018 34.140 1.00 0.00 H new ATOM 0 HD2 LYS A 90 38.357 20.820 34.301 1.00 0.00 H new ATOM 0 HD3 LYS A 90 37.963 20.948 32.598 1.00 0.00 H new ATOM 0 HE2 LYS A 90 40.376 21.579 32.138 1.00 0.00 H new ATOM 0 HE3 LYS A 90 40.735 21.303 33.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 41.086 19.431 32.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 40.425 19.058 33.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 39.414 19.185 32.278 1.00 0.00 H new ATOM 1314 N MET A 91 37.652 22.224 29.507 1.00 0.00 N ATOM 1315 CA MET A 91 37.861 21.078 28.613 1.00 0.00 C ATOM 1316 C MET A 91 38.819 20.043 29.219 1.00 0.00 C ATOM 1317 O MET A 91 39.787 20.397 29.894 1.00 0.00 O ATOM 1318 CB MET A 91 38.366 21.562 27.244 1.00 0.00 C ATOM 1319 CG MET A 91 37.553 22.679 26.573 1.00 0.00 C ATOM 1320 SD MET A 91 35.822 22.370 26.123 1.00 0.00 S ATOM 1321 CE MET A 91 34.944 22.607 27.686 1.00 0.00 C ATOM 0 H MET A 91 38.201 23.042 29.241 1.00 0.00 H new ATOM 0 HA MET A 91 36.901 20.579 28.479 1.00 0.00 H new ATOM 0 HB2 MET A 91 39.392 21.910 27.362 1.00 0.00 H new ATOM 0 HB3 MET A 91 38.395 20.707 26.568 1.00 0.00 H new ATOM 0 HG2 MET A 91 37.569 23.542 27.239 1.00 0.00 H new ATOM 0 HG3 MET A 91 38.081 22.968 25.664 1.00 0.00 H new ATOM 0 HE1 MET A 91 33.905 22.867 27.484 1.00 0.00 H new ATOM 0 HE2 MET A 91 34.981 21.686 28.267 1.00 0.00 H new ATOM 0 HE3 MET A 91 35.416 23.411 28.250 1.00 0.00 H new ATOM 1331 N SER A 92 38.543 18.766 28.952 1.00 0.00 N ATOM 1332 CA SER A 92 39.161 17.572 29.550 1.00 0.00 C ATOM 1333 C SER A 92 39.082 16.388 28.569 1.00 0.00 C ATOM 1334 O SER A 92 38.302 16.442 27.625 1.00 0.00 O ATOM 1335 CB SER A 92 38.408 17.194 30.834 1.00 0.00 C ATOM 1336 OG SER A 92 38.024 18.325 31.594 1.00 0.00 O ATOM 0 H SER A 92 37.832 18.516 28.264 1.00 0.00 H new ATOM 0 HA SER A 92 40.204 17.793 29.775 1.00 0.00 H new ATOM 0 HB2 SER A 92 37.520 16.618 30.574 1.00 0.00 H new ATOM 0 HB3 SER A 92 39.040 16.548 31.444 1.00 0.00 H new ATOM 0 HG SER A 92 37.548 18.032 32.399 1.00 0.00 H new ATOM 1342 N LYS A 93 39.797 15.274 28.763 1.00 0.00 N ATOM 1343 CA LYS A 93 39.729 14.127 27.824 1.00 0.00 C ATOM 1344 C LYS A 93 38.333 13.524 27.611 1.00 0.00 C ATOM 1345 O LYS A 93 38.078 12.985 26.537 1.00 0.00 O ATOM 1346 CB LYS A 93 40.666 13.002 28.288 1.00 0.00 C ATOM 1347 CG LYS A 93 42.156 13.349 28.264 1.00 0.00 C ATOM 1348 CD LYS A 93 42.594 14.008 26.948 1.00 0.00 C ATOM 1349 CE LYS A 93 44.094 13.848 26.715 1.00 0.00 C ATOM 1350 NZ LYS A 93 44.896 14.457 27.800 1.00 0.00 N ATOM 0 H LYS A 93 40.427 15.134 29.553 1.00 0.00 H new ATOM 0 HA LYS A 93 40.033 14.550 26.867 1.00 0.00 H new ATOM 0 HB2 LYS A 93 40.391 12.717 29.304 1.00 0.00 H new ATOM 0 HB3 LYS A 93 40.502 12.129 27.656 1.00 0.00 H new ATOM 0 HG2 LYS A 93 42.381 14.020 29.093 1.00 0.00 H new ATOM 0 HG3 LYS A 93 42.738 12.441 28.421 1.00 0.00 H new ATOM 0 HD2 LYS A 93 42.046 13.563 26.117 1.00 0.00 H new ATOM 0 HD3 LYS A 93 42.339 15.067 26.968 1.00 0.00 H new ATOM 0 HE2 LYS A 93 44.337 12.788 26.637 1.00 0.00 H new ATOM 0 HE3 LYS A 93 44.363 14.308 25.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 45.896 14.492 27.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 44.555 15.422 27.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 44.802 13.886 28.664 1.00 0.00 H new ATOM 1364 N ASP A 94 37.434 13.645 28.590 1.00 0.00 N ATOM 1365 CA ASP A 94 36.069 13.090 28.541 1.00 0.00 C ATOM 1366 C ASP A 94 35.154 13.853 27.572 1.00 0.00 C ATOM 1367 O ASP A 94 34.124 13.342 27.131 1.00 0.00 O ATOM 1368 CB ASP A 94 35.423 13.142 29.940 1.00 0.00 C ATOM 1369 CG ASP A 94 36.066 12.208 30.962 1.00 0.00 C ATOM 1370 OD1 ASP A 94 36.054 10.971 30.764 1.00 0.00 O ATOM 1371 OD2 ASP A 94 36.590 12.708 31.986 1.00 0.00 O ATOM 0 H ASP A 94 37.633 14.141 29.459 1.00 0.00 H new ATOM 0 HA ASP A 94 36.170 12.063 28.190 1.00 0.00 H new ATOM 0 HB2 ASP A 94 35.477 14.164 30.315 1.00 0.00 H new ATOM 0 HB3 ASP A 94 34.366 12.891 29.849 1.00 0.00 H new ATOM 1376 N ILE A 95 35.510 15.099 27.252 1.00 0.00 N ATOM 1377 CA ILE A 95 34.616 16.080 26.633 1.00 0.00 C ATOM 1378 C ILE A 95 34.539 15.970 25.112 1.00 0.00 C ATOM 1379 O ILE A 95 34.000 16.877 24.498 1.00 0.00 O ATOM 1380 CB ILE A 95 35.019 17.516 27.027 1.00 0.00 C ATOM 1381 CG1 ILE A 95 36.287 17.959 26.261 1.00 0.00 C ATOM 1382 CG2 ILE A 95 35.169 17.678 28.548 1.00 0.00 C ATOM 1383 CD1 ILE A 95 36.063 19.063 25.238 1.00 0.00 C ATOM 0 H ILE A 95 36.448 15.462 27.420 1.00 0.00 H new ATOM 0 HA ILE A 95 33.622 15.851 27.018 1.00 0.00 H new ATOM 0 HB ILE A 95 34.208 18.182 26.732 1.00 0.00 H new ATOM 0 HG12 ILE A 95 37.030 18.297 26.983 1.00 0.00 H new ATOM 0 HG13 ILE A 95 36.708 17.092 25.752 1.00 0.00 H new ATOM 0 HG21 ILE A 95 35.454 18.705 28.778 1.00 0.00 H new ATOM 0 HG22 ILE A 95 34.221 17.446 29.034 1.00 0.00 H new ATOM 0 HG23 ILE A 95 35.939 16.998 28.912 1.00 0.00 H new ATOM 0 HD11 ILE A 95 37.008 19.306 24.752 1.00 0.00 H new ATOM 0 HD12 ILE A 95 35.347 18.725 24.489 1.00 0.00 H new ATOM 0 HD13 ILE A 95 35.674 19.949 25.739 1.00 0.00 H new ATOM 1395 N ASP A 96 35.138 14.950 24.496 1.00 0.00 N ATOM 1396 CA ASP A 96 35.350 14.827 23.046 1.00 0.00 C ATOM 1397 C ASP A 96 34.015 14.798 22.273 1.00 0.00 C ATOM 1398 O ASP A 96 33.492 13.745 21.904 1.00 0.00 O ATOM 1399 CB ASP A 96 36.249 13.598 22.817 1.00 0.00 C ATOM 1400 CG ASP A 96 36.440 13.206 21.347 1.00 0.00 C ATOM 1401 OD1 ASP A 96 36.795 14.088 20.529 1.00 0.00 O ATOM 1402 OD2 ASP A 96 36.289 12.010 20.999 1.00 0.00 O ATOM 0 H ASP A 96 35.506 14.151 25.012 1.00 0.00 H new ATOM 0 HA ASP A 96 35.859 15.703 22.644 1.00 0.00 H new ATOM 0 HB2 ASP A 96 37.227 13.794 23.256 1.00 0.00 H new ATOM 0 HB3 ASP A 96 35.823 12.749 23.352 1.00 0.00 H new ATOM 1407 N GLY A 97 33.465 15.997 22.072 1.00 0.00 N ATOM 1408 CA GLY A 97 32.140 16.270 21.478 1.00 0.00 C ATOM 1409 C GLY A 97 31.110 17.008 22.363 1.00 0.00 C ATOM 1410 O GLY A 97 29.920 17.001 22.042 1.00 0.00 O ATOM 0 H GLY A 97 33.952 16.855 22.331 1.00 0.00 H new ATOM 0 HA2 GLY A 97 32.290 16.857 20.572 1.00 0.00 H new ATOM 0 HA3 GLY A 97 31.704 15.319 21.173 1.00 0.00 H new ATOM 1414 N ILE A 98 31.518 17.602 23.489 1.00 0.00 N ATOM 1415 CA ILE A 98 30.658 18.240 24.504 1.00 0.00 C ATOM 1416 C ILE A 98 29.773 19.373 23.968 1.00 0.00 C ATOM 1417 O ILE A 98 30.173 20.143 23.093 1.00 0.00 O ATOM 1418 CB ILE A 98 31.525 18.712 25.697 1.00 0.00 C ATOM 1419 CG1 ILE A 98 30.725 19.082 26.970 1.00 0.00 C ATOM 1420 CG2 ILE A 98 32.512 19.821 25.288 1.00 0.00 C ATOM 1421 CD1 ILE A 98 30.524 20.576 27.265 1.00 0.00 C ATOM 0 H ILE A 98 32.507 17.656 23.734 1.00 0.00 H new ATOM 0 HA ILE A 98 29.952 17.479 24.837 1.00 0.00 H new ATOM 0 HB ILE A 98 32.108 17.837 25.983 1.00 0.00 H new ATOM 0 HG12 ILE A 98 29.742 18.617 26.898 1.00 0.00 H new ATOM 0 HG13 ILE A 98 31.228 18.633 27.827 1.00 0.00 H new ATOM 0 HG21 ILE A 98 33.100 20.123 26.155 1.00 0.00 H new ATOM 0 HG22 ILE A 98 33.178 19.447 24.510 1.00 0.00 H new ATOM 0 HG23 ILE A 98 31.958 20.680 24.909 1.00 0.00 H new ATOM 0 HD11 ILE A 98 29.948 20.691 28.183 1.00 0.00 H new ATOM 0 HD12 ILE A 98 31.495 21.058 27.382 1.00 0.00 H new ATOM 0 HD13 ILE A 98 29.986 21.041 26.439 1.00 0.00 H new ATOM 1433 N ARG A 99 28.583 19.519 24.559 1.00 0.00 N ATOM 1434 CA ARG A 99 27.675 20.657 24.360 1.00 0.00 C ATOM 1435 C ARG A 99 27.403 21.370 25.660 1.00 0.00 C ATOM 1436 O ARG A 99 27.212 20.720 26.689 1.00 0.00 O ATOM 1437 CB ARG A 99 26.292 20.161 23.902 1.00 0.00 C ATOM 1438 CG ARG A 99 25.412 21.209 23.188 1.00 0.00 C ATOM 1439 CD ARG A 99 23.919 21.013 23.490 1.00 0.00 C ATOM 1440 NE ARG A 99 23.549 21.358 24.881 1.00 0.00 N ATOM 1441 CZ ARG A 99 22.318 21.330 25.367 1.00 0.00 C ATOM 1442 NH1 ARG A 99 21.290 21.022 24.633 1.00 0.00 N ATOM 1443 NH2 ARG A 99 22.091 21.617 26.618 1.00 0.00 N ATOM 0 H ARG A 99 28.212 18.827 25.210 1.00 0.00 H new ATOM 0 HA ARG A 99 28.156 21.308 23.630 1.00 0.00 H new ATOM 0 HB2 ARG A 99 26.433 19.313 23.231 1.00 0.00 H new ATOM 0 HB3 ARG A 99 25.751 19.791 24.773 1.00 0.00 H new ATOM 0 HG2 ARG A 99 25.716 22.209 23.498 1.00 0.00 H new ATOM 0 HG3 ARG A 99 25.575 21.146 22.112 1.00 0.00 H new ATOM 0 HD2 ARG A 99 23.334 21.626 22.804 1.00 0.00 H new ATOM 0 HD3 ARG A 99 23.651 19.974 23.298 1.00 0.00 H new ATOM 0 HE ARG A 99 24.299 21.638 25.513 1.00 0.00 H new ATOM 0 HH11 ARG A 99 21.418 20.791 23.648 1.00 0.00 H new ATOM 0 HH12 ARG A 99 20.356 21.011 25.043 1.00 0.00 H new ATOM 0 HH21 ARG A 99 22.866 21.866 27.233 1.00 0.00 H new ATOM 0 HH22 ARG A 99 21.139 21.592 26.982 1.00 0.00 H new ATOM 1457 N VAL A 100 27.142 22.662 25.550 1.00 0.00 N ATOM 1458 CA VAL A 100 26.343 23.394 26.515 1.00 0.00 C ATOM 1459 C VAL A 100 25.372 24.370 25.853 1.00 0.00 C ATOM 1460 O VAL A 100 25.605 24.840 24.744 1.00 0.00 O ATOM 1461 CB VAL A 100 27.267 24.186 27.483 1.00 0.00 C ATOM 1462 CG1 VAL A 100 27.994 23.284 28.489 1.00 0.00 C ATOM 1463 CG2 VAL A 100 28.331 25.027 26.753 1.00 0.00 C ATOM 0 H VAL A 100 27.483 23.237 24.780 1.00 0.00 H new ATOM 0 HA VAL A 100 25.758 22.654 27.062 1.00 0.00 H new ATOM 0 HB VAL A 100 26.582 24.848 28.012 1.00 0.00 H new ATOM 0 HG11 VAL A 100 28.623 23.895 29.137 1.00 0.00 H new ATOM 0 HG12 VAL A 100 27.262 22.749 29.094 1.00 0.00 H new ATOM 0 HG13 VAL A 100 28.614 22.566 27.952 1.00 0.00 H new ATOM 0 HG21 VAL A 100 28.943 25.555 27.485 1.00 0.00 H new ATOM 0 HG22 VAL A 100 28.965 24.372 26.155 1.00 0.00 H new ATOM 0 HG23 VAL A 100 27.840 25.750 26.102 1.00 0.00 H new ATOM 1473 N ALA A 101 24.297 24.712 26.554 1.00 0.00 N ATOM 1474 CA ALA A 101 23.625 25.992 26.359 1.00 0.00 C ATOM 1475 C ALA A 101 24.095 26.979 27.431 1.00 0.00 C ATOM 1476 O ALA A 101 24.707 26.592 28.429 1.00 0.00 O ATOM 1477 CB ALA A 101 22.123 25.729 26.333 1.00 0.00 C ATOM 0 H ALA A 101 23.871 24.118 27.265 1.00 0.00 H new ATOM 0 HA ALA A 101 23.878 26.463 25.409 1.00 0.00 H new ATOM 0 HB1 ALA A 101 21.591 26.669 26.188 1.00 0.00 H new ATOM 0 HB2 ALA A 101 21.887 25.049 25.515 1.00 0.00 H new ATOM 0 HB3 ALA A 101 21.816 25.280 27.278 1.00 0.00 H new ATOM 1483 N LEU A 102 23.913 28.260 27.142 1.00 0.00 N ATOM 1484 CA LEU A 102 24.729 29.354 27.655 1.00 0.00 C ATOM 1485 C LEU A 102 23.874 30.443 28.335 1.00 0.00 C ATOM 1486 O LEU A 102 22.657 30.479 28.116 1.00 0.00 O ATOM 1487 CB LEU A 102 25.507 29.891 26.440 1.00 0.00 C ATOM 1488 CG LEU A 102 26.901 29.297 26.161 1.00 0.00 C ATOM 1489 CD1 LEU A 102 27.519 30.079 25.005 1.00 0.00 C ATOM 1490 CD2 LEU A 102 27.907 29.407 27.311 1.00 0.00 C ATOM 0 H LEU A 102 23.168 28.578 26.523 1.00 0.00 H new ATOM 0 HA LEU A 102 25.408 29.014 28.437 1.00 0.00 H new ATOM 0 HB2 LEU A 102 24.893 29.735 25.553 1.00 0.00 H new ATOM 0 HB3 LEU A 102 25.620 30.968 26.564 1.00 0.00 H new ATOM 0 HG LEU A 102 26.730 28.238 25.970 1.00 0.00 H new ATOM 0 HD11 LEU A 102 28.509 29.680 24.784 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.885 29.986 24.123 1.00 0.00 H new ATOM 0 HD13 LEU A 102 27.605 31.130 25.281 1.00 0.00 H new ATOM 0 HD21 LEU A 102 28.854 28.959 27.010 1.00 0.00 H new ATOM 0 HD22 LEU A 102 28.064 30.457 27.558 1.00 0.00 H new ATOM 0 HD23 LEU A 102 27.519 28.883 28.185 1.00 0.00 H new ATOM 1502 N PRO A 103 24.481 31.329 29.153 1.00 0.00 N ATOM 1503 CA PRO A 103 23.730 32.276 29.968 1.00 0.00 C ATOM 1504 C PRO A 103 22.906 33.256 29.128 1.00 0.00 C ATOM 1505 O PRO A 103 23.326 33.709 28.062 1.00 0.00 O ATOM 1506 CB PRO A 103 24.744 32.963 30.888 1.00 0.00 C ATOM 1507 CG PRO A 103 26.080 32.776 30.172 1.00 0.00 C ATOM 1508 CD PRO A 103 25.907 31.459 29.419 1.00 0.00 C ATOM 0 HA PRO A 103 22.978 31.760 30.565 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.508 34.019 31.024 1.00 0.00 H new ATOM 0 HB3 PRO A 103 24.755 32.509 31.879 1.00 0.00 H new ATOM 0 HG2 PRO A 103 26.288 33.602 29.492 1.00 0.00 H new ATOM 0 HG3 PRO A 103 26.909 32.728 30.878 1.00 0.00 H new ATOM 0 HD2 PRO A 103 26.478 31.463 28.490 1.00 0.00 H new ATOM 0 HD3 PRO A 103 26.271 30.620 30.013 1.00 0.00 H new ATOM 1516 N GLN A 104 21.710 33.572 29.633 1.00 0.00 N ATOM 1517 CA GLN A 104 20.646 34.249 28.877 1.00 0.00 C ATOM 1518 C GLN A 104 20.165 35.579 29.505 1.00 0.00 C ATOM 1519 O GLN A 104 19.237 36.208 28.992 1.00 0.00 O ATOM 1520 CB GLN A 104 19.529 33.227 28.560 1.00 0.00 C ATOM 1521 CG GLN A 104 18.874 32.556 29.786 1.00 0.00 C ATOM 1522 CD GLN A 104 17.837 31.483 29.431 1.00 0.00 C ATOM 1523 OE1 GLN A 104 17.253 31.425 28.357 1.00 0.00 O ATOM 1524 NE2 GLN A 104 17.537 30.588 30.342 1.00 0.00 N ATOM 0 H GLN A 104 21.447 33.362 30.596 1.00 0.00 H new ATOM 0 HA GLN A 104 21.056 34.596 27.929 1.00 0.00 H new ATOM 0 HB2 GLN A 104 18.752 33.731 27.985 1.00 0.00 H new ATOM 0 HB3 GLN A 104 19.944 32.448 27.920 1.00 0.00 H new ATOM 0 HG2 GLN A 104 19.653 32.104 30.400 1.00 0.00 H new ATOM 0 HG3 GLN A 104 18.394 33.323 30.394 1.00 0.00 H new ATOM 0 HE21 GLN A 104 18.004 30.607 31.248 1.00 0.00 H new ATOM 0 HE22 GLN A 104 16.836 29.874 30.144 1.00 0.00 H new ATOM 1533 N MET A 105 20.829 36.039 30.574 1.00 0.00 N ATOM 1534 CA MET A 105 20.594 37.308 31.291 1.00 0.00 C ATOM 1535 C MET A 105 21.846 38.201 31.250 1.00 0.00 C ATOM 1536 O MET A 105 22.956 37.675 31.304 1.00 0.00 O ATOM 1537 CB MET A 105 20.271 37.024 32.768 1.00 0.00 C ATOM 1538 CG MET A 105 19.024 36.171 33.004 1.00 0.00 C ATOM 1539 SD MET A 105 18.809 35.744 34.753 1.00 0.00 S ATOM 1540 CE MET A 105 17.243 34.839 34.670 1.00 0.00 C ATOM 0 H MET A 105 21.592 35.505 30.990 1.00 0.00 H new ATOM 0 HA MET A 105 19.761 37.814 30.802 1.00 0.00 H new ATOM 0 HB2 MET A 105 21.126 36.524 33.222 1.00 0.00 H new ATOM 0 HB3 MET A 105 20.146 37.975 33.286 1.00 0.00 H new ATOM 0 HG2 MET A 105 18.145 36.711 32.653 1.00 0.00 H new ATOM 0 HG3 MET A 105 19.094 35.257 32.414 1.00 0.00 H new ATOM 0 HE1 MET A 105 16.963 34.503 35.669 1.00 0.00 H new ATOM 0 HE2 MET A 105 16.465 35.493 34.276 1.00 0.00 H new ATOM 0 HE3 MET A 105 17.356 33.975 34.015 1.00 0.00 H new ATOM 1550 N THR A 106 21.687 39.529 31.265 1.00 0.00 N ATOM 1551 CA THR A 106 22.785 40.526 31.345 1.00 0.00 C ATOM 1552 C THR A 106 22.922 41.091 32.768 1.00 0.00 C ATOM 1553 O THR A 106 22.826 42.299 32.999 1.00 0.00 O ATOM 1554 CB THR A 106 22.641 41.639 30.289 1.00 0.00 C ATOM 1555 OG1 THR A 106 22.260 41.106 29.041 1.00 0.00 O ATOM 1556 CG2 THR A 106 23.940 42.407 30.032 1.00 0.00 C ATOM 0 H THR A 106 20.765 39.964 31.221 1.00 0.00 H new ATOM 0 HA THR A 106 23.713 40.004 31.112 1.00 0.00 H new ATOM 0 HB THR A 106 21.888 42.310 30.702 1.00 0.00 H new ATOM 0 HG1 THR A 106 22.174 41.832 28.388 1.00 0.00 H new ATOM 0 HG21 THR A 106 23.766 43.175 29.278 1.00 0.00 H new ATOM 0 HG22 THR A 106 24.274 42.876 30.957 1.00 0.00 H new ATOM 0 HG23 THR A 106 24.706 41.718 29.677 1.00 0.00 H new ATOM 1564 N ARG A 107 23.057 40.178 33.740 1.00 0.00 N ATOM 1565 CA ARG A 107 22.982 40.393 35.198 1.00 0.00 C ATOM 1566 C ARG A 107 21.955 41.461 35.623 1.00 0.00 C ATOM 1567 O ARG A 107 22.311 42.591 35.956 1.00 0.00 O ATOM 1568 CB ARG A 107 24.391 40.604 35.789 1.00 0.00 C ATOM 1569 CG ARG A 107 24.323 40.415 37.313 1.00 0.00 C ATOM 1570 CD ARG A 107 25.603 40.754 38.078 1.00 0.00 C ATOM 1571 NE ARG A 107 25.361 40.587 39.527 1.00 0.00 N ATOM 1572 CZ ARG A 107 26.119 39.927 40.383 1.00 0.00 C ATOM 1573 NH1 ARG A 107 27.321 39.543 40.097 1.00 0.00 N ATOM 1574 NH2 ARG A 107 25.691 39.611 41.566 1.00 0.00 N ATOM 0 H ARG A 107 23.234 39.199 33.515 1.00 0.00 H new ATOM 0 HA ARG A 107 22.584 39.479 35.638 1.00 0.00 H new ATOM 0 HB2 ARG A 107 25.094 39.895 35.352 1.00 0.00 H new ATOM 0 HB3 ARG A 107 24.755 41.603 35.549 1.00 0.00 H new ATOM 0 HG2 ARG A 107 23.514 41.033 37.702 1.00 0.00 H new ATOM 0 HG3 ARG A 107 24.060 39.378 37.521 1.00 0.00 H new ATOM 0 HD2 ARG A 107 26.417 40.104 37.756 1.00 0.00 H new ATOM 0 HD3 ARG A 107 25.909 41.778 37.864 1.00 0.00 H new ATOM 0 HE ARG A 107 24.522 41.027 39.904 1.00 0.00 H new ATOM 0 HH11 ARG A 107 27.717 39.748 39.180 1.00 0.00 H new ATOM 0 HH12 ARG A 107 27.872 39.035 40.789 1.00 0.00 H new ATOM 0 HH21 ARG A 107 24.748 39.873 41.854 1.00 0.00 H new ATOM 0 HH22 ARG A 107 26.297 39.101 42.208 1.00 0.00 H new ATOM 1588 N ASN A 108 20.683 41.062 35.664 1.00 0.00 N ATOM 1589 CA ASN A 108 19.583 41.827 36.269 1.00 0.00 C ATOM 1590 C ASN A 108 19.399 41.569 37.782 1.00 0.00 C ATOM 1591 O ASN A 108 18.678 42.313 38.453 1.00 0.00 O ATOM 1592 CB ASN A 108 18.295 41.620 35.445 1.00 0.00 C ATOM 1593 CG ASN A 108 17.730 40.207 35.417 1.00 0.00 C ATOM 1594 OD1 ASN A 108 18.023 39.347 36.238 1.00 0.00 O ATOM 1595 ND2 ASN A 108 16.864 39.928 34.479 1.00 0.00 N ATOM 0 H ASN A 108 20.377 40.173 35.267 1.00 0.00 H new ATOM 0 HA ASN A 108 19.847 42.884 36.226 1.00 0.00 H new ATOM 0 HB2 ASN A 108 17.527 42.287 35.837 1.00 0.00 H new ATOM 0 HB3 ASN A 108 18.492 41.930 34.419 1.00 0.00 H new ATOM 0 HD21 ASN A 108 16.440 39.002 34.436 1.00 0.00 H new ATOM 0 HD22 ASN A 108 16.613 40.637 33.790 1.00 0.00 H new ATOM 1602 N VAL A 109 20.071 40.553 38.337 1.00 0.00 N ATOM 1603 CA VAL A 109 20.217 40.337 39.787 1.00 0.00 C ATOM 1604 C VAL A 109 21.224 41.328 40.388 1.00 0.00 C ATOM 1605 O VAL A 109 22.206 41.707 39.742 1.00 0.00 O ATOM 1606 CB VAL A 109 20.577 38.866 40.081 1.00 0.00 C ATOM 1607 CG1 VAL A 109 21.991 38.481 39.625 1.00 0.00 C ATOM 1608 CG2 VAL A 109 20.420 38.512 41.559 1.00 0.00 C ATOM 0 H VAL A 109 20.541 39.840 37.779 1.00 0.00 H new ATOM 0 HA VAL A 109 19.261 40.532 40.273 1.00 0.00 H new ATOM 0 HB VAL A 109 19.861 38.290 39.494 1.00 0.00 H new ATOM 0 HG11 VAL A 109 22.177 37.434 39.863 1.00 0.00 H new ATOM 0 HG12 VAL A 109 22.080 38.630 38.549 1.00 0.00 H new ATOM 0 HG13 VAL A 109 22.722 39.105 40.139 1.00 0.00 H new ATOM 0 HG21 VAL A 109 20.686 37.466 41.713 1.00 0.00 H new ATOM 0 HG22 VAL A 109 21.076 39.145 42.156 1.00 0.00 H new ATOM 0 HG23 VAL A 109 19.386 38.672 41.864 1.00 0.00 H new ATOM 1618 N ASN A 110 21.004 41.764 41.628 1.00 0.00 N ATOM 1619 CA ASN A 110 21.833 42.795 42.262 1.00 0.00 C ATOM 1620 C ASN A 110 23.230 42.265 42.664 1.00 0.00 C ATOM 1621 O ASN A 110 23.472 41.053 42.643 1.00 0.00 O ATOM 1622 CB ASN A 110 21.038 43.412 43.421 1.00 0.00 C ATOM 1623 CG ASN A 110 19.722 44.044 42.978 1.00 0.00 C ATOM 1624 OD1 ASN A 110 19.551 44.501 41.854 1.00 0.00 O ATOM 1625 ND2 ASN A 110 18.739 44.061 43.844 1.00 0.00 N ATOM 0 H ASN A 110 20.251 41.416 42.221 1.00 0.00 H new ATOM 0 HA ASN A 110 22.055 43.586 41.546 1.00 0.00 H new ATOM 0 HB2 ASN A 110 20.831 42.640 44.163 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.650 44.169 43.911 1.00 0.00 H new ATOM 0 HD21 ASN A 110 17.835 44.454 43.582 1.00 0.00 H new ATOM 0 HD22 ASN A 110 18.878 43.681 44.781 1.00 0.00 H new ATOM 1632 N ASN A 111 24.156 43.165 43.001 1.00 0.00 N ATOM 1633 CA ASN A 111 25.581 42.899 43.251 1.00 0.00 C ATOM 1634 C ASN A 111 26.067 43.563 44.559 1.00 0.00 C ATOM 1635 O ASN A 111 25.473 44.536 45.028 1.00 0.00 O ATOM 1636 CB ASN A 111 26.366 43.393 42.018 1.00 0.00 C ATOM 1637 CG ASN A 111 27.867 43.187 42.136 1.00 0.00 C ATOM 1638 OD1 ASN A 111 28.372 42.077 42.057 1.00 0.00 O ATOM 1639 ND2 ASN A 111 28.618 44.235 42.369 1.00 0.00 N ATOM 0 H ASN A 111 23.924 44.152 43.114 1.00 0.00 H new ATOM 0 HA ASN A 111 25.748 41.831 43.392 1.00 0.00 H new ATOM 0 HB2 ASN A 111 26.004 42.871 41.133 1.00 0.00 H new ATOM 0 HB3 ASN A 111 26.163 44.453 41.868 1.00 0.00 H new ATOM 0 HD21 ASN A 111 29.625 44.125 42.485 1.00 0.00 H new ATOM 0 HD22 ASN A 111 28.195 45.161 42.435 1.00 0.00 H new ATOM 1646 N ASN A 112 27.161 43.063 45.137 1.00 0.00 N ATOM 1647 CA ASN A 112 27.791 43.607 46.342 1.00 0.00 C ATOM 1648 C ASN A 112 29.254 43.991 46.064 1.00 0.00 C ATOM 1649 O ASN A 112 30.085 43.140 45.740 1.00 0.00 O ATOM 1650 CB ASN A 112 27.637 42.579 47.474 1.00 0.00 C ATOM 1651 CG ASN A 112 28.005 43.099 48.850 1.00 0.00 C ATOM 1652 OD1 ASN A 112 28.376 44.243 49.064 1.00 0.00 O ATOM 1653 ND2 ASN A 112 27.881 42.261 49.849 1.00 0.00 N ATOM 0 H ASN A 112 27.647 42.245 44.769 1.00 0.00 H new ATOM 0 HA ASN A 112 27.300 44.529 46.653 1.00 0.00 H new ATOM 0 HB2 ASN A 112 26.604 42.232 47.495 1.00 0.00 H new ATOM 0 HB3 ASN A 112 28.259 41.713 47.248 1.00 0.00 H new ATOM 0 HD21 ASN A 112 28.094 42.565 50.799 1.00 0.00 H new ATOM 0 HD22 ASN A 112 27.572 41.304 49.677 1.00 0.00 H new ATOM 1660 N ASP A 113 29.553 45.283 46.189 1.00 0.00 N ATOM 1661 CA ASP A 113 30.902 45.850 46.079 1.00 0.00 C ATOM 1662 C ASP A 113 31.839 45.360 47.200 1.00 0.00 C ATOM 1663 O ASP A 113 31.397 44.871 48.244 1.00 0.00 O ATOM 1664 CB ASP A 113 30.808 47.384 46.116 1.00 0.00 C ATOM 1665 CG ASP A 113 30.325 47.974 44.793 1.00 0.00 C ATOM 1666 OD1 ASP A 113 29.093 48.090 44.585 1.00 0.00 O ATOM 1667 OD2 ASP A 113 31.195 48.376 43.984 1.00 0.00 O ATOM 0 H ASP A 113 28.842 45.990 46.376 1.00 0.00 H new ATOM 0 HA ASP A 113 31.328 45.514 45.134 1.00 0.00 H new ATOM 0 HB2 ASP A 113 30.128 47.684 46.913 1.00 0.00 H new ATOM 0 HB3 ASP A 113 31.786 47.799 46.359 1.00 0.00 H new ATOM 1672 N PHE A 114 33.151 45.546 47.024 1.00 0.00 N ATOM 1673 CA PHE A 114 34.145 45.247 48.061 1.00 0.00 C ATOM 1674 C PHE A 114 33.896 46.048 49.355 1.00 0.00 C ATOM 1675 O PHE A 114 33.318 47.143 49.328 1.00 0.00 O ATOM 1676 CB PHE A 114 35.561 45.468 47.508 1.00 0.00 C ATOM 1677 CG PHE A 114 35.854 44.642 46.267 1.00 0.00 C ATOM 1678 CD1 PHE A 114 36.032 43.250 46.375 1.00 0.00 C ATOM 1679 CD2 PHE A 114 35.878 45.249 44.997 1.00 0.00 C ATOM 1680 CE1 PHE A 114 36.220 42.472 45.219 1.00 0.00 C ATOM 1681 CE2 PHE A 114 36.056 44.468 43.840 1.00 0.00 C ATOM 1682 CZ PHE A 114 36.233 43.080 43.952 1.00 0.00 C ATOM 0 H PHE A 114 33.554 45.908 46.160 1.00 0.00 H new ATOM 0 HA PHE A 114 34.045 44.197 48.337 1.00 0.00 H new ATOM 0 HB2 PHE A 114 35.692 46.524 47.273 1.00 0.00 H new ATOM 0 HB3 PHE A 114 36.289 45.221 48.281 1.00 0.00 H new ATOM 0 HD1 PHE A 114 36.024 42.779 47.347 1.00 0.00 H new ATOM 0 HD2 PHE A 114 35.759 46.319 44.910 1.00 0.00 H new ATOM 0 HE1 PHE A 114 36.355 41.404 45.305 1.00 0.00 H new ATOM 0 HE2 PHE A 114 36.056 44.936 42.867 1.00 0.00 H new ATOM 0 HZ PHE A 114 36.379 42.480 43.066 1.00 0.00 H new ATOM 1692 N SER A 115 34.319 45.489 50.492 1.00 0.00 N ATOM 1693 CA SER A 115 34.051 46.000 51.848 1.00 0.00 C ATOM 1694 C SER A 115 34.935 47.192 52.202 1.00 0.00 C ATOM 1695 O SER A 115 34.447 48.344 52.193 1.00 0.00 O ATOM 1696 CB SER A 115 34.174 44.865 52.870 1.00 0.00 C ATOM 1697 OG SER A 115 35.517 44.425 52.853 1.00 0.00 O ATOM 1698 OXT SER A 115 36.143 46.966 52.443 1.00 0.00 O ATOM 0 H SER A 115 34.879 44.636 50.499 1.00 0.00 H new ATOM 0 HA SER A 115 33.027 46.373 51.874 1.00 0.00 H new ATOM 0 HB2 SER A 115 33.897 45.213 53.865 1.00 0.00 H new ATOM 0 HB3 SER A 115 33.499 44.047 52.618 1.00 0.00 H new ATOM 0 HG SER A 115 36.108 45.185 52.671 1.00 0.00 H new TER 1704 SER A 115 HETATM 1705 FE1 FES A 201 32.948 34.201 37.007 1.00 0.00 FE HETATM 1706 FE2 FES A 201 31.350 32.745 35.739 1.00 0.00 FE HETATM 1707 S1 FES A 201 32.790 32.030 37.230 1.00 0.00 S HETATM 1708 S2 FES A 201 31.217 34.928 35.885 1.00 0.00 S