USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=28 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 5 LYS NZ :NH3+ -179:sc= 0.892 (180deg=0) USER MOD Set 1.2: A 7 THR OG1 : rot -129:sc= 1.57 USER MOD Set 1.3: A 17 THR OG1 : rot 90:sc= 0.843 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0935 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.142 F(o=-0.9,f=-0.14) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0721 USER MOD Single : A 21 CYS SG : rot 180:sc= 0.221 USER MOD Single : A 25 THR OG1 : rot 131:sc= 1.18 USER MOD Single : A 31 GLN : amide:sc= 0.699 K(o=0.7,f=-6.3!) USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.686 F(o=-1.8,f=-0.69) USER MOD Single : A 34 ASN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 37 MET CE :methyl -169:sc= -3.71! (180deg=-4.48!) USER MOD Single : A 44 SER OG : rot -78:sc= 1.23 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 130:sc= 0.0407 USER MOD Single : A 49 THR OG1 : rot 32:sc= 0.624 USER MOD Single : A 51 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-2.9!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 72 MET CE :methyl 155:sc=-0.00421 (180deg=-0.071) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -170:sc= 0 USER MOD Single : A 82 THR OG1 : rot 141:sc= 1.31 USER MOD Single : A 83 SER OG : rot 110:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 1.02 K(o=1,f=-1.5) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 166:sc= -0.549 (180deg=-0.873) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 105 MET CE :methyl 178:sc= 0 (180deg=-0.00322) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 108 ASN : amide:sc= 1.37 K(o=1.4,f=-2.4!) USER MOD Single : A 110 ASN : amide:sc= -0.905 K(o=-0.9,f=-3.2!) USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 44.466 25.998 19.482 1.00 0.00 N ATOM 2 CA GLY A 1 44.545 24.542 19.306 1.00 0.00 C ATOM 3 C GLY A 1 43.265 23.976 18.724 1.00 0.00 C ATOM 4 O GLY A 1 42.250 24.665 18.644 1.00 0.00 O ATOM 0 H1 GLY A 1 45.130 26.463 18.831 1.00 0.00 H new ATOM 0 H2 GLY A 1 43.498 26.320 19.278 1.00 0.00 H new ATOM 0 H3 GLY A 1 44.713 26.243 20.462 1.00 0.00 H new ATOM 0 HA2 GLY A 1 45.381 24.300 18.650 1.00 0.00 H new ATOM 0 HA3 GLY A 1 44.747 24.070 20.267 1.00 0.00 H new ATOM 10 N GLU A 2 43.313 22.723 18.278 1.00 0.00 N ATOM 11 CA GLU A 2 42.259 22.071 17.482 1.00 0.00 C ATOM 12 C GLU A 2 42.167 20.542 17.710 1.00 0.00 C ATOM 13 O GLU A 2 41.784 19.788 16.813 1.00 0.00 O ATOM 14 CB GLU A 2 42.429 22.446 15.991 1.00 0.00 C ATOM 15 CG GLU A 2 43.792 22.034 15.407 1.00 0.00 C ATOM 16 CD GLU A 2 43.855 22.213 13.885 1.00 0.00 C ATOM 17 OE1 GLU A 2 43.072 21.560 13.152 1.00 0.00 O ATOM 18 OE2 GLU A 2 44.665 23.038 13.393 1.00 0.00 O ATOM 0 H GLU A 2 44.107 22.110 18.462 1.00 0.00 H new ATOM 0 HA GLU A 2 41.298 22.450 17.829 1.00 0.00 H new ATOM 0 HB2 GLU A 2 41.636 21.972 15.412 1.00 0.00 H new ATOM 0 HB3 GLU A 2 42.305 23.523 15.879 1.00 0.00 H new ATOM 0 HG2 GLU A 2 44.578 22.628 15.873 1.00 0.00 H new ATOM 0 HG3 GLU A 2 43.991 20.992 15.656 1.00 0.00 H new ATOM 25 N GLU A 3 42.542 20.046 18.892 1.00 0.00 N ATOM 26 CA GLU A 3 42.447 18.613 19.249 1.00 0.00 C ATOM 27 C GLU A 3 41.023 18.195 19.675 1.00 0.00 C ATOM 28 O GLU A 3 40.616 17.038 19.512 1.00 0.00 O ATOM 29 CB GLU A 3 43.415 18.289 20.401 1.00 0.00 C ATOM 30 CG GLU A 3 44.882 18.712 20.217 1.00 0.00 C ATOM 31 CD GLU A 3 45.679 17.888 19.196 1.00 0.00 C ATOM 32 OE1 GLU A 3 45.179 17.594 18.082 1.00 0.00 O ATOM 33 OE2 GLU A 3 46.847 17.538 19.501 1.00 0.00 O ATOM 0 H GLU A 3 42.924 20.625 19.639 1.00 0.00 H new ATOM 0 HA GLU A 3 42.710 18.054 18.351 1.00 0.00 H new ATOM 0 HB2 GLU A 3 43.036 18.764 21.306 1.00 0.00 H new ATOM 0 HB3 GLU A 3 43.391 17.213 20.572 1.00 0.00 H new ATOM 0 HG2 GLU A 3 44.906 19.758 19.913 1.00 0.00 H new ATOM 0 HG3 GLU A 3 45.385 18.649 21.182 1.00 0.00 H new ATOM 40 N LEU A 4 40.260 19.142 20.228 1.00 0.00 N ATOM 41 CA LEU A 4 38.946 18.934 20.840 1.00 0.00 C ATOM 42 C LEU A 4 37.888 19.860 20.207 1.00 0.00 C ATOM 43 O LEU A 4 38.209 20.767 19.430 1.00 0.00 O ATOM 44 CB LEU A 4 39.066 19.133 22.367 1.00 0.00 C ATOM 45 CG LEU A 4 40.018 18.161 23.100 1.00 0.00 C ATOM 46 CD1 LEU A 4 40.179 18.557 24.567 1.00 0.00 C ATOM 47 CD2 LEU A 4 39.532 16.711 23.100 1.00 0.00 C ATOM 0 H LEU A 4 40.555 20.118 20.262 1.00 0.00 H new ATOM 0 HA LEU A 4 38.608 17.915 20.653 1.00 0.00 H new ATOM 0 HB2 LEU A 4 39.402 20.152 22.556 1.00 0.00 H new ATOM 0 HB3 LEU A 4 38.073 19.039 22.806 1.00 0.00 H new ATOM 0 HG LEU A 4 40.956 18.229 22.550 1.00 0.00 H new ATOM 0 HD11 LEU A 4 40.854 17.858 25.061 1.00 0.00 H new ATOM 0 HD12 LEU A 4 40.592 19.564 24.629 1.00 0.00 H new ATOM 0 HD13 LEU A 4 39.207 18.532 25.059 1.00 0.00 H new ATOM 0 HD21 LEU A 4 40.250 16.087 23.632 1.00 0.00 H new ATOM 0 HD22 LEU A 4 38.563 16.652 23.595 1.00 0.00 H new ATOM 0 HD23 LEU A 4 39.436 16.359 22.073 1.00 0.00 H new ATOM 59 N LYS A 5 36.609 19.637 20.520 1.00 0.00 N ATOM 60 CA LYS A 5 35.494 20.510 20.126 1.00 0.00 C ATOM 61 C LYS A 5 34.594 20.859 21.309 1.00 0.00 C ATOM 62 O LYS A 5 34.541 20.132 22.296 1.00 0.00 O ATOM 63 CB LYS A 5 34.725 19.911 18.931 1.00 0.00 C ATOM 64 CG LYS A 5 33.657 18.838 19.240 1.00 0.00 C ATOM 65 CD LYS A 5 32.264 19.306 18.779 1.00 0.00 C ATOM 66 CE LYS A 5 31.193 18.233 18.991 1.00 0.00 C ATOM 67 NZ LYS A 5 29.899 18.589 18.369 1.00 0.00 N ATOM 0 H LYS A 5 36.311 18.828 21.066 1.00 0.00 H new ATOM 0 HA LYS A 5 35.909 21.460 19.788 1.00 0.00 H new ATOM 0 HB2 LYS A 5 34.238 20.729 18.400 1.00 0.00 H new ATOM 0 HB3 LYS A 5 35.453 19.475 18.246 1.00 0.00 H new ATOM 0 HG2 LYS A 5 33.916 17.905 18.739 1.00 0.00 H new ATOM 0 HG3 LYS A 5 33.641 18.632 20.310 1.00 0.00 H new ATOM 0 HD2 LYS A 5 31.986 20.207 19.326 1.00 0.00 H new ATOM 0 HD3 LYS A 5 32.304 19.573 17.723 1.00 0.00 H new ATOM 0 HE2 LYS A 5 31.544 17.288 18.576 1.00 0.00 H new ATOM 0 HE3 LYS A 5 31.047 18.077 20.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 29.205 17.837 18.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 29.556 19.485 18.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 30.025 18.695 17.342 1.00 0.00 H new ATOM 81 N ILE A 6 33.877 21.966 21.171 1.00 0.00 N ATOM 82 CA ILE A 6 32.849 22.450 22.099 1.00 0.00 C ATOM 83 C ILE A 6 31.673 22.941 21.261 1.00 0.00 C ATOM 84 O ILE A 6 31.857 23.683 20.296 1.00 0.00 O ATOM 85 CB ILE A 6 33.399 23.549 23.048 1.00 0.00 C ATOM 86 CG1 ILE A 6 32.292 24.252 23.885 1.00 0.00 C ATOM 87 CG2 ILE A 6 34.158 24.633 22.266 1.00 0.00 C ATOM 88 CD1 ILE A 6 32.814 25.031 25.094 1.00 0.00 C ATOM 0 H ILE A 6 33.998 22.586 20.370 1.00 0.00 H new ATOM 0 HA ILE A 6 32.522 21.644 22.756 1.00 0.00 H new ATOM 0 HB ILE A 6 34.068 23.023 23.729 1.00 0.00 H new ATOM 0 HG12 ILE A 6 31.742 24.935 23.237 1.00 0.00 H new ATOM 0 HG13 ILE A 6 31.582 23.500 24.231 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.531 25.388 22.959 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.997 24.180 21.737 1.00 0.00 H new ATOM 0 HG23 ILE A 6 33.486 25.101 21.547 1.00 0.00 H new ATOM 0 HD11 ILE A 6 31.977 25.489 25.621 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.338 24.351 25.766 1.00 0.00 H new ATOM 0 HD13 ILE A 6 33.500 25.808 24.757 1.00 0.00 H new ATOM 100 N THR A 7 30.462 22.539 21.620 1.00 0.00 N ATOM 101 CA THR A 7 29.243 23.052 21.002 1.00 0.00 C ATOM 102 C THR A 7 28.445 23.867 22.000 1.00 0.00 C ATOM 103 O THR A 7 28.219 23.441 23.128 1.00 0.00 O ATOM 104 CB THR A 7 28.394 21.918 20.423 1.00 0.00 C ATOM 105 OG1 THR A 7 29.147 21.104 19.544 1.00 0.00 O ATOM 106 CG2 THR A 7 27.208 22.484 19.647 1.00 0.00 C ATOM 0 H THR A 7 30.295 21.846 22.350 1.00 0.00 H new ATOM 0 HA THR A 7 29.532 23.703 20.177 1.00 0.00 H new ATOM 0 HB THR A 7 28.047 21.317 21.264 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.665 21.004 18.697 1.00 0.00 H new ATOM 0 HG21 THR A 7 26.614 21.665 19.242 1.00 0.00 H new ATOM 0 HG22 THR A 7 26.590 23.085 20.314 1.00 0.00 H new ATOM 0 HG23 THR A 7 27.572 23.107 18.830 1.00 0.00 H new ATOM 114 N PHE A 8 27.979 25.027 21.557 1.00 0.00 N ATOM 115 CA PHE A 8 27.137 25.922 22.326 1.00 0.00 C ATOM 116 C PHE A 8 25.808 26.197 21.610 1.00 0.00 C ATOM 117 O PHE A 8 25.762 26.469 20.407 1.00 0.00 O ATOM 118 CB PHE A 8 27.894 27.221 22.675 1.00 0.00 C ATOM 119 CG PHE A 8 29.425 27.199 22.772 1.00 0.00 C ATOM 120 CD1 PHE A 8 30.161 27.130 21.571 1.00 0.00 C ATOM 121 CD2 PHE A 8 30.138 27.428 23.981 1.00 0.00 C ATOM 122 CE1 PHE A 8 31.551 27.254 21.568 1.00 0.00 C ATOM 123 CE2 PHE A 8 31.529 27.606 23.964 1.00 0.00 C ATOM 124 CZ PHE A 8 32.239 27.489 22.762 1.00 0.00 C ATOM 0 H PHE A 8 28.186 25.379 20.622 1.00 0.00 H new ATOM 0 HA PHE A 8 26.887 25.430 23.266 1.00 0.00 H new ATOM 0 HB2 PHE A 8 27.625 27.967 21.928 1.00 0.00 H new ATOM 0 HB3 PHE A 8 27.511 27.576 23.632 1.00 0.00 H new ATOM 0 HD1 PHE A 8 29.640 26.979 20.637 1.00 0.00 H new ATOM 0 HD2 PHE A 8 29.604 27.465 24.919 1.00 0.00 H new ATOM 0 HE1 PHE A 8 32.097 27.168 20.640 1.00 0.00 H new ATOM 0 HE2 PHE A 8 32.054 27.834 24.880 1.00 0.00 H new ATOM 0 HZ PHE A 8 33.315 27.580 22.758 1.00 0.00 H new ATOM 134 N ILE A 9 24.720 26.150 22.378 1.00 0.00 N ATOM 135 CA ILE A 9 23.382 26.591 21.945 1.00 0.00 C ATOM 136 C ILE A 9 23.244 28.079 22.278 1.00 0.00 C ATOM 137 O ILE A 9 23.296 28.456 23.451 1.00 0.00 O ATOM 138 CB ILE A 9 22.246 25.782 22.607 1.00 0.00 C ATOM 139 CG1 ILE A 9 22.509 24.256 22.613 1.00 0.00 C ATOM 140 CG2 ILE A 9 20.895 26.152 21.955 1.00 0.00 C ATOM 141 CD1 ILE A 9 21.325 23.390 23.062 1.00 0.00 C ATOM 0 H ILE A 9 24.737 25.800 23.336 1.00 0.00 H new ATOM 0 HA ILE A 9 23.289 26.421 20.872 1.00 0.00 H new ATOM 0 HB ILE A 9 22.207 26.058 23.661 1.00 0.00 H new ATOM 0 HG12 ILE A 9 22.802 23.950 21.609 1.00 0.00 H new ATOM 0 HG13 ILE A 9 23.356 24.052 23.268 1.00 0.00 H new ATOM 0 HG21 ILE A 9 20.095 25.579 22.425 1.00 0.00 H new ATOM 0 HG22 ILE A 9 20.706 27.217 22.089 1.00 0.00 H new ATOM 0 HG23 ILE A 9 20.930 25.921 20.890 1.00 0.00 H new ATOM 0 HD11 ILE A 9 21.611 22.339 23.031 1.00 0.00 H new ATOM 0 HD12 ILE A 9 21.042 23.659 24.080 1.00 0.00 H new ATOM 0 HD13 ILE A 9 20.479 23.556 22.395 1.00 0.00 H new ATOM 153 N LEU A 10 23.075 28.917 21.256 1.00 0.00 N ATOM 154 CA LEU A 10 23.197 30.370 21.348 1.00 0.00 C ATOM 155 C LEU A 10 22.083 31.033 22.175 1.00 0.00 C ATOM 156 O LEU A 10 20.966 30.520 22.204 1.00 0.00 O ATOM 157 CB LEU A 10 23.270 30.992 19.938 1.00 0.00 C ATOM 158 CG LEU A 10 24.446 30.570 19.029 1.00 0.00 C ATOM 159 CD1 LEU A 10 24.696 31.719 18.046 1.00 0.00 C ATOM 160 CD2 LEU A 10 25.757 30.355 19.785 1.00 0.00 C ATOM 0 H LEU A 10 22.843 28.595 20.316 1.00 0.00 H new ATOM 0 HA LEU A 10 24.126 30.566 21.884 1.00 0.00 H new ATOM 0 HB2 LEU A 10 22.342 30.755 19.418 1.00 0.00 H new ATOM 0 HB3 LEU A 10 23.305 32.076 20.050 1.00 0.00 H new ATOM 0 HG LEU A 10 24.169 29.627 18.557 1.00 0.00 H new ATOM 0 HD11 LEU A 10 25.522 31.459 17.384 1.00 0.00 H new ATOM 0 HD12 LEU A 10 23.798 31.893 17.454 1.00 0.00 H new ATOM 0 HD13 LEU A 10 24.946 32.624 18.600 1.00 0.00 H new ATOM 0 HD21 LEU A 10 26.538 30.061 19.083 1.00 0.00 H new ATOM 0 HD22 LEU A 10 26.046 31.281 20.282 1.00 0.00 H new ATOM 0 HD23 LEU A 10 25.623 29.570 20.529 1.00 0.00 H new ATOM 172 N LYS A 11 22.314 32.237 22.731 1.00 0.00 N ATOM 173 CA LYS A 11 21.237 33.053 23.348 1.00 0.00 C ATOM 174 C LYS A 11 20.065 33.389 22.400 1.00 0.00 C ATOM 175 O LYS A 11 18.934 33.591 22.843 1.00 0.00 O ATOM 176 CB LYS A 11 21.856 34.290 24.029 1.00 0.00 C ATOM 177 CG LYS A 11 22.476 35.378 23.148 1.00 0.00 C ATOM 178 CD LYS A 11 21.492 36.428 22.613 1.00 0.00 C ATOM 179 CE LYS A 11 22.294 37.519 21.900 1.00 0.00 C ATOM 180 NZ LYS A 11 21.431 38.616 21.409 1.00 0.00 N ATOM 0 H LYS A 11 23.236 32.672 22.768 1.00 0.00 H new ATOM 0 HA LYS A 11 20.759 32.441 24.112 1.00 0.00 H new ATOM 0 HB2 LYS A 11 21.080 34.757 24.635 1.00 0.00 H new ATOM 0 HB3 LYS A 11 22.628 33.939 24.714 1.00 0.00 H new ATOM 0 HG2 LYS A 11 23.251 35.888 23.720 1.00 0.00 H new ATOM 0 HG3 LYS A 11 22.968 34.900 22.301 1.00 0.00 H new ATOM 0 HD2 LYS A 11 20.782 35.968 21.925 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.912 36.856 23.431 1.00 0.00 H new ATOM 0 HE2 LYS A 11 23.040 37.924 22.583 1.00 0.00 H new ATOM 0 HE3 LYS A 11 22.834 37.081 21.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.016 39.332 20.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.735 38.236 20.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.934 39.053 22.212 1.00 0.00 H new ATOM 194 N ASP A 12 20.328 33.392 21.091 1.00 0.00 N ATOM 195 CA ASP A 12 19.327 33.502 20.010 1.00 0.00 C ATOM 196 C ASP A 12 18.671 32.150 19.630 1.00 0.00 C ATOM 197 O ASP A 12 17.600 32.116 19.026 1.00 0.00 O ATOM 198 CB ASP A 12 20.013 34.150 18.793 1.00 0.00 C ATOM 199 CG ASP A 12 19.009 34.711 17.782 1.00 0.00 C ATOM 200 OD1 ASP A 12 18.615 35.895 17.933 1.00 0.00 O ATOM 201 OD2 ASP A 12 18.599 33.984 16.847 1.00 0.00 O ATOM 0 H ASP A 12 21.280 33.315 20.734 1.00 0.00 H new ATOM 0 HA ASP A 12 18.504 34.121 20.367 1.00 0.00 H new ATOM 0 HB2 ASP A 12 20.667 34.953 19.134 1.00 0.00 H new ATOM 0 HB3 ASP A 12 20.645 33.411 18.300 1.00 0.00 H new ATOM 206 N GLY A 13 19.284 31.026 20.006 1.00 0.00 N ATOM 207 CA GLY A 13 18.844 29.655 19.708 1.00 0.00 C ATOM 208 C GLY A 13 19.446 29.027 18.443 1.00 0.00 C ATOM 209 O GLY A 13 19.041 27.927 18.068 1.00 0.00 O ATOM 0 H GLY A 13 20.144 31.044 20.554 1.00 0.00 H new ATOM 0 HA2 GLY A 13 19.089 29.020 20.560 1.00 0.00 H new ATOM 0 HA3 GLY A 13 17.758 29.654 19.612 1.00 0.00 H new ATOM 213 N SER A 14 20.438 29.659 17.804 1.00 0.00 N ATOM 214 CA SER A 14 21.336 28.983 16.847 1.00 0.00 C ATOM 215 C SER A 14 22.164 27.902 17.561 1.00 0.00 C ATOM 216 O SER A 14 22.309 27.912 18.783 1.00 0.00 O ATOM 217 CB SER A 14 22.276 29.969 16.112 1.00 0.00 C ATOM 218 OG SER A 14 21.747 31.284 16.031 1.00 0.00 O ATOM 0 H SER A 14 20.644 30.650 17.932 1.00 0.00 H new ATOM 0 HA SER A 14 20.700 28.520 16.093 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.236 30.001 16.628 1.00 0.00 H new ATOM 0 HB3 SER A 14 22.467 29.598 15.105 1.00 0.00 H new ATOM 0 HG SER A 14 22.381 31.863 15.560 1.00 0.00 H new ATOM 224 N GLN A 15 22.733 26.952 16.830 1.00 0.00 N ATOM 225 CA GLN A 15 23.750 26.021 17.307 1.00 0.00 C ATOM 226 C GLN A 15 25.064 26.351 16.647 1.00 0.00 C ATOM 227 O GLN A 15 25.110 26.559 15.431 1.00 0.00 O ATOM 228 CB GLN A 15 23.406 24.582 16.918 1.00 0.00 C ATOM 229 CG GLN A 15 22.270 23.894 17.690 1.00 0.00 C ATOM 230 CD GLN A 15 20.863 24.480 17.563 1.00 0.00 C ATOM 231 OE1 GLN A 15 20.526 25.492 18.326 1.00 0.00 O flip ATOM 232 NE2 GLN A 15 20.011 23.990 16.832 1.00 0.00 N flip ATOM 0 H GLN A 15 22.490 26.802 15.851 1.00 0.00 H new ATOM 0 HA GLN A 15 23.803 26.110 18.392 1.00 0.00 H new ATOM 0 HB2 GLN A 15 23.148 24.572 15.859 1.00 0.00 H new ATOM 0 HB3 GLN A 15 24.306 23.978 17.033 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.229 22.853 17.369 1.00 0.00 H new ATOM 0 HG3 GLN A 15 22.537 23.891 18.747 1.00 0.00 H new ATOM 0 HE21 GLN A 15 20.248 23.202 16.229 1.00 0.00 H new ATOM 0 HE22 GLN A 15 19.064 24.370 16.826 1.00 0.00 H new ATOM 241 N LYS A 16 26.127 26.354 17.448 1.00 0.00 N ATOM 242 CA LYS A 16 27.458 26.651 16.968 1.00 0.00 C ATOM 243 C LYS A 16 28.449 25.721 17.625 1.00 0.00 C ATOM 244 O LYS A 16 28.568 25.659 18.847 1.00 0.00 O ATOM 245 CB LYS A 16 27.784 28.103 17.272 1.00 0.00 C ATOM 246 CG LYS A 16 26.933 29.131 16.496 1.00 0.00 C ATOM 247 CD LYS A 16 27.023 29.132 14.959 1.00 0.00 C ATOM 248 CE LYS A 16 28.364 29.690 14.494 1.00 0.00 C ATOM 249 NZ LYS A 16 28.416 29.881 13.028 1.00 0.00 N ATOM 0 H LYS A 16 26.081 26.150 18.446 1.00 0.00 H new ATOM 0 HA LYS A 16 27.513 26.501 15.890 1.00 0.00 H new ATOM 0 HB2 LYS A 16 27.652 28.275 18.340 1.00 0.00 H new ATOM 0 HB3 LYS A 16 28.836 28.280 17.048 1.00 0.00 H new ATOM 0 HG2 LYS A 16 25.889 28.974 16.769 1.00 0.00 H new ATOM 0 HG3 LYS A 16 27.209 30.125 16.847 1.00 0.00 H new ATOM 0 HD2 LYS A 16 26.896 28.117 14.582 1.00 0.00 H new ATOM 0 HD3 LYS A 16 26.212 29.730 14.543 1.00 0.00 H new ATOM 0 HE2 LYS A 16 28.549 30.643 14.989 1.00 0.00 H new ATOM 0 HE3 LYS A 16 29.162 29.012 14.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 29.346 30.262 12.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 28.266 28.968 12.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 27.673 30.548 12.738 1.00 0.00 H new ATOM 263 N THR A 17 29.149 24.998 16.781 1.00 0.00 N ATOM 264 CA THR A 17 30.235 24.091 17.167 1.00 0.00 C ATOM 265 C THR A 17 31.612 24.638 16.787 1.00 0.00 C ATOM 266 O THR A 17 31.877 24.951 15.628 1.00 0.00 O ATOM 267 CB THR A 17 29.995 22.659 16.677 1.00 0.00 C ATOM 268 OG1 THR A 17 30.862 21.821 17.398 1.00 0.00 O ATOM 269 CG2 THR A 17 30.232 22.419 15.192 1.00 0.00 C ATOM 0 H THR A 17 28.983 25.017 15.775 1.00 0.00 H new ATOM 0 HA THR A 17 30.231 24.037 18.256 1.00 0.00 H new ATOM 0 HB THR A 17 28.937 22.454 16.839 1.00 0.00 H new ATOM 0 HG1 THR A 17 30.414 21.509 18.212 1.00 0.00 H new ATOM 0 HG21 THR A 17 30.033 21.374 14.956 1.00 0.00 H new ATOM 0 HG22 THR A 17 29.566 23.056 14.610 1.00 0.00 H new ATOM 0 HG23 THR A 17 31.267 22.656 14.946 1.00 0.00 H new ATOM 277 N TYR A 18 32.497 24.779 17.773 1.00 0.00 N ATOM 278 CA TYR A 18 33.830 25.400 17.681 1.00 0.00 C ATOM 279 C TYR A 18 34.938 24.363 17.951 1.00 0.00 C ATOM 280 O TYR A 18 34.665 23.293 18.504 1.00 0.00 O ATOM 281 CB TYR A 18 33.946 26.570 18.674 1.00 0.00 C ATOM 282 CG TYR A 18 33.224 27.876 18.333 1.00 0.00 C ATOM 283 CD1 TYR A 18 32.280 27.971 17.284 1.00 0.00 C ATOM 284 CD2 TYR A 18 33.548 29.043 19.055 1.00 0.00 C ATOM 285 CE1 TYR A 18 31.690 29.196 16.937 1.00 0.00 C ATOM 286 CE2 TYR A 18 32.973 30.274 18.691 1.00 0.00 C ATOM 287 CZ TYR A 18 32.076 30.367 17.614 1.00 0.00 C ATOM 288 OH TYR A 18 31.619 31.592 17.247 1.00 0.00 O ATOM 0 H TYR A 18 32.297 24.445 18.716 1.00 0.00 H new ATOM 0 HA TYR A 18 33.957 25.783 16.668 1.00 0.00 H new ATOM 0 HB2 TYR A 18 33.576 26.226 19.640 1.00 0.00 H new ATOM 0 HB3 TYR A 18 35.005 26.797 18.801 1.00 0.00 H new ATOM 0 HD1 TYR A 18 32.007 27.080 16.738 1.00 0.00 H new ATOM 0 HD2 TYR A 18 34.236 28.992 19.886 1.00 0.00 H new ATOM 0 HE1 TYR A 18 30.945 29.239 16.156 1.00 0.00 H new ATOM 0 HE2 TYR A 18 33.226 31.163 19.249 1.00 0.00 H new ATOM 0 HH TYR A 18 32.000 32.274 17.838 1.00 0.00 H new ATOM 298 N GLU A 19 36.190 24.666 17.597 1.00 0.00 N ATOM 299 CA GLU A 19 37.358 23.830 17.936 1.00 0.00 C ATOM 300 C GLU A 19 38.268 24.492 18.983 1.00 0.00 C ATOM 301 O GLU A 19 38.582 25.681 18.889 1.00 0.00 O ATOM 302 CB GLU A 19 38.151 23.432 16.683 1.00 0.00 C ATOM 303 CG GLU A 19 37.375 22.471 15.770 1.00 0.00 C ATOM 304 CD GLU A 19 36.523 23.189 14.719 1.00 0.00 C ATOM 305 OE1 GLU A 19 37.101 23.841 13.816 1.00 0.00 O ATOM 306 OE2 GLU A 19 35.272 23.074 14.746 1.00 0.00 O ATOM 0 H GLU A 19 36.429 25.502 17.064 1.00 0.00 H new ATOM 0 HA GLU A 19 36.966 22.918 18.387 1.00 0.00 H new ATOM 0 HB2 GLU A 19 38.410 24.330 16.122 1.00 0.00 H new ATOM 0 HB3 GLU A 19 39.088 22.963 16.985 1.00 0.00 H new ATOM 0 HG2 GLU A 19 38.081 21.810 15.266 1.00 0.00 H new ATOM 0 HG3 GLU A 19 36.730 21.841 16.382 1.00 0.00 H new ATOM 313 N VAL A 20 38.686 23.714 19.984 1.00 0.00 N ATOM 314 CA VAL A 20 39.435 24.134 21.178 1.00 0.00 C ATOM 315 C VAL A 20 40.532 23.126 21.546 1.00 0.00 C ATOM 316 O VAL A 20 40.672 22.072 20.916 1.00 0.00 O ATOM 317 CB VAL A 20 38.455 24.299 22.359 1.00 0.00 C ATOM 318 CG1 VAL A 20 37.527 25.491 22.136 1.00 0.00 C ATOM 319 CG2 VAL A 20 37.604 23.045 22.615 1.00 0.00 C ATOM 0 H VAL A 20 38.501 22.711 19.986 1.00 0.00 H new ATOM 0 HA VAL A 20 39.923 25.084 20.959 1.00 0.00 H new ATOM 0 HB VAL A 20 39.077 24.467 23.238 1.00 0.00 H new ATOM 0 HG11 VAL A 20 36.846 25.586 22.982 1.00 0.00 H new ATOM 0 HG12 VAL A 20 38.120 26.401 22.044 1.00 0.00 H new ATOM 0 HG13 VAL A 20 36.952 25.338 21.223 1.00 0.00 H new ATOM 0 HG21 VAL A 20 36.936 23.224 23.457 1.00 0.00 H new ATOM 0 HG22 VAL A 20 37.015 22.817 21.727 1.00 0.00 H new ATOM 0 HG23 VAL A 20 38.257 22.203 22.843 1.00 0.00 H new ATOM 329 N CYS A 21 41.295 23.422 22.599 1.00 0.00 N ATOM 330 CA CYS A 21 42.265 22.510 23.196 1.00 0.00 C ATOM 331 C CYS A 21 41.994 22.233 24.688 1.00 0.00 C ATOM 332 O CYS A 21 41.105 22.803 25.321 1.00 0.00 O ATOM 333 CB CYS A 21 43.675 23.043 22.931 1.00 0.00 C ATOM 334 SG CYS A 21 44.776 21.622 22.667 1.00 0.00 S ATOM 0 H CYS A 21 41.253 24.326 23.070 1.00 0.00 H new ATOM 0 HA CYS A 21 42.166 21.534 22.722 1.00 0.00 H new ATOM 0 HB2 CYS A 21 43.678 23.694 22.057 1.00 0.00 H new ATOM 0 HB3 CYS A 21 44.021 23.641 23.774 1.00 0.00 H new ATOM 0 HG CYS A 21 45.983 22.045 22.437 1.00 0.00 H new ATOM 340 N GLU A 22 42.744 21.289 25.249 1.00 0.00 N ATOM 341 CA GLU A 22 42.555 20.728 26.581 1.00 0.00 C ATOM 342 C GLU A 22 42.996 21.699 27.706 1.00 0.00 C ATOM 343 O GLU A 22 44.107 22.232 27.668 1.00 0.00 O ATOM 344 CB GLU A 22 43.318 19.393 26.567 1.00 0.00 C ATOM 345 CG GLU A 22 42.838 18.447 27.652 1.00 0.00 C ATOM 346 CD GLU A 22 43.670 17.161 27.763 1.00 0.00 C ATOM 347 OE1 GLU A 22 44.529 16.859 26.898 1.00 0.00 O ATOM 348 OE2 GLU A 22 43.490 16.458 28.783 1.00 0.00 O ATOM 0 H GLU A 22 43.539 20.875 24.762 1.00 0.00 H new ATOM 0 HA GLU A 22 41.502 20.562 26.809 1.00 0.00 H new ATOM 0 HB2 GLU A 22 43.197 18.918 25.594 1.00 0.00 H new ATOM 0 HB3 GLU A 22 44.383 19.584 26.699 1.00 0.00 H new ATOM 0 HG2 GLU A 22 42.859 18.967 28.610 1.00 0.00 H new ATOM 0 HG3 GLU A 22 41.799 18.181 27.456 1.00 0.00 H new ATOM 355 N GLY A 23 42.137 21.937 28.710 1.00 0.00 N ATOM 356 CA GLY A 23 42.344 22.900 29.802 1.00 0.00 C ATOM 357 C GLY A 23 41.545 24.204 29.659 1.00 0.00 C ATOM 358 O GLY A 23 41.462 24.964 30.625 1.00 0.00 O ATOM 0 H GLY A 23 41.246 21.445 28.786 1.00 0.00 H new ATOM 0 HA2 GLY A 23 42.074 22.425 30.745 1.00 0.00 H new ATOM 0 HA3 GLY A 23 43.405 23.143 29.859 1.00 0.00 H new ATOM 362 N GLU A 24 40.920 24.457 28.502 1.00 0.00 N ATOM 363 CA GLU A 24 40.078 25.642 28.263 1.00 0.00 C ATOM 364 C GLU A 24 38.718 25.567 28.993 1.00 0.00 C ATOM 365 O GLU A 24 38.065 24.523 29.004 1.00 0.00 O ATOM 366 CB GLU A 24 39.874 25.863 26.753 1.00 0.00 C ATOM 367 CG GLU A 24 41.160 26.273 26.024 1.00 0.00 C ATOM 368 CD GLU A 24 40.879 26.782 24.601 1.00 0.00 C ATOM 369 OE1 GLU A 24 40.410 27.940 24.452 1.00 0.00 O ATOM 370 OE2 GLU A 24 41.144 26.061 23.612 1.00 0.00 O ATOM 0 H GLU A 24 40.984 23.838 27.694 1.00 0.00 H new ATOM 0 HA GLU A 24 40.610 26.497 28.680 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.487 24.947 26.307 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.118 26.634 26.604 1.00 0.00 H new ATOM 0 HG2 GLU A 24 41.667 27.052 26.594 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.837 25.420 25.977 1.00 0.00 H new ATOM 377 N THR A 25 38.292 26.682 29.595 1.00 0.00 N ATOM 378 CA THR A 25 37.117 26.855 30.478 1.00 0.00 C ATOM 379 C THR A 25 35.896 27.291 29.648 1.00 0.00 C ATOM 380 O THR A 25 36.038 27.980 28.646 1.00 0.00 O ATOM 381 CB THR A 25 37.489 27.815 31.629 1.00 0.00 C ATOM 382 OG1 THR A 25 38.777 28.392 31.480 1.00 0.00 O ATOM 383 CG2 THR A 25 37.610 27.058 32.951 1.00 0.00 C ATOM 0 H THR A 25 38.795 27.561 29.473 1.00 0.00 H new ATOM 0 HA THR A 25 36.828 25.913 30.945 1.00 0.00 H new ATOM 0 HB THR A 25 36.700 28.567 31.613 1.00 0.00 H new ATOM 0 HG1 THR A 25 38.718 29.362 31.608 1.00 0.00 H new ATOM 0 HG21 THR A 25 37.873 27.755 33.747 1.00 0.00 H new ATOM 0 HG22 THR A 25 36.658 26.581 33.186 1.00 0.00 H new ATOM 0 HG23 THR A 25 38.385 26.297 32.865 1.00 0.00 H new ATOM 391 N ILE A 26 34.675 26.875 29.990 1.00 0.00 N ATOM 392 CA ILE A 26 33.507 26.988 29.075 1.00 0.00 C ATOM 393 C ILE A 26 33.085 28.446 28.817 1.00 0.00 C ATOM 394 O ILE A 26 32.865 28.801 27.654 1.00 0.00 O ATOM 395 CB ILE A 26 32.356 26.063 29.535 1.00 0.00 C ATOM 396 CG1 ILE A 26 32.607 24.570 29.201 1.00 0.00 C ATOM 397 CG2 ILE A 26 31.043 26.423 28.834 1.00 0.00 C ATOM 398 CD1 ILE A 26 33.737 23.909 29.982 1.00 0.00 C ATOM 0 H ILE A 26 34.456 26.454 30.893 1.00 0.00 H new ATOM 0 HA ILE A 26 33.815 26.628 28.093 1.00 0.00 H new ATOM 0 HB ILE A 26 32.302 26.207 30.614 1.00 0.00 H new ATOM 0 HG12 ILE A 26 31.687 24.014 29.384 1.00 0.00 H new ATOM 0 HG13 ILE A 26 32.825 24.484 28.136 1.00 0.00 H new ATOM 0 HG21 ILE A 26 30.252 25.756 29.177 1.00 0.00 H new ATOM 0 HG22 ILE A 26 30.776 27.453 29.069 1.00 0.00 H new ATOM 0 HG23 ILE A 26 31.165 26.316 27.756 1.00 0.00 H new ATOM 0 HD11 ILE A 26 33.831 22.867 29.675 1.00 0.00 H new ATOM 0 HD12 ILE A 26 34.672 24.432 29.782 1.00 0.00 H new ATOM 0 HD13 ILE A 26 33.517 23.954 31.049 1.00 0.00 H new ATOM 410 N LEU A 27 33.035 29.317 29.834 1.00 0.00 N ATOM 411 CA LEU A 27 32.769 30.746 29.593 1.00 0.00 C ATOM 412 C LEU A 27 34.013 31.476 29.055 1.00 0.00 C ATOM 413 O LEU A 27 33.884 32.416 28.272 1.00 0.00 O ATOM 414 CB LEU A 27 32.123 31.424 30.815 1.00 0.00 C ATOM 415 CG LEU A 27 30.581 31.449 30.842 1.00 0.00 C ATOM 416 CD1 LEU A 27 29.991 32.307 29.722 1.00 0.00 C ATOM 417 CD2 LEU A 27 29.944 30.064 30.758 1.00 0.00 C ATOM 0 H LEU A 27 33.172 29.067 30.813 1.00 0.00 H new ATOM 0 HA LEU A 27 32.026 30.818 28.799 1.00 0.00 H new ATOM 0 HB2 LEU A 27 32.474 30.917 31.714 1.00 0.00 H new ATOM 0 HB3 LEU A 27 32.484 32.451 30.868 1.00 0.00 H new ATOM 0 HG LEU A 27 30.344 31.886 31.812 1.00 0.00 H new ATOM 0 HD11 LEU A 27 28.903 32.291 29.786 1.00 0.00 H new ATOM 0 HD12 LEU A 27 30.345 33.333 29.824 1.00 0.00 H new ATOM 0 HD13 LEU A 27 30.304 31.910 28.756 1.00 0.00 H new ATOM 0 HD21 LEU A 27 28.859 30.161 30.782 1.00 0.00 H new ATOM 0 HD22 LEU A 27 30.244 29.581 29.828 1.00 0.00 H new ATOM 0 HD23 LEU A 27 30.274 29.460 31.603 1.00 0.00 H new ATOM 429 N ASP A 28 35.213 30.990 29.372 1.00 0.00 N ATOM 430 CA ASP A 28 36.479 31.406 28.758 1.00 0.00 C ATOM 431 C ASP A 28 36.610 31.045 27.270 1.00 0.00 C ATOM 432 O ASP A 28 37.341 31.740 26.565 1.00 0.00 O ATOM 433 CB ASP A 28 37.638 30.777 29.530 1.00 0.00 C ATOM 434 CG ASP A 28 37.991 31.537 30.815 1.00 0.00 C ATOM 435 OD1 ASP A 28 38.023 32.792 30.823 1.00 0.00 O ATOM 436 OD2 ASP A 28 38.308 30.877 31.824 1.00 0.00 O ATOM 0 H ASP A 28 35.337 30.272 30.086 1.00 0.00 H new ATOM 0 HA ASP A 28 36.501 32.495 28.810 1.00 0.00 H new ATOM 0 HB2 ASP A 28 37.382 29.748 29.783 1.00 0.00 H new ATOM 0 HB3 ASP A 28 38.516 30.738 28.886 1.00 0.00 H new ATOM 441 N ILE A 29 35.913 30.017 26.760 1.00 0.00 N ATOM 442 CA ILE A 29 35.783 29.787 25.312 1.00 0.00 C ATOM 443 C ILE A 29 34.684 30.681 24.756 1.00 0.00 C ATOM 444 O ILE A 29 34.905 31.355 23.755 1.00 0.00 O ATOM 445 CB ILE A 29 35.580 28.303 24.885 1.00 0.00 C ATOM 446 CG1 ILE A 29 36.683 27.378 25.463 1.00 0.00 C ATOM 447 CG2 ILE A 29 35.731 28.286 23.347 1.00 0.00 C ATOM 448 CD1 ILE A 29 36.199 25.960 25.779 1.00 0.00 C ATOM 0 H ILE A 29 35.428 29.327 27.334 1.00 0.00 H new ATOM 0 HA ILE A 29 36.747 30.051 24.878 1.00 0.00 H new ATOM 0 HB ILE A 29 34.614 27.948 25.243 1.00 0.00 H new ATOM 0 HG12 ILE A 29 37.506 27.320 24.750 1.00 0.00 H new ATOM 0 HG13 ILE A 29 37.080 27.827 26.373 1.00 0.00 H new ATOM 0 HG21 ILE A 29 35.599 27.268 22.980 1.00 0.00 H new ATOM 0 HG22 ILE A 29 34.977 28.934 22.900 1.00 0.00 H new ATOM 0 HG23 ILE A 29 36.724 28.644 23.075 1.00 0.00 H new ATOM 0 HD11 ILE A 29 37.026 25.374 26.179 1.00 0.00 H new ATOM 0 HD12 ILE A 29 35.397 26.005 26.516 1.00 0.00 H new ATOM 0 HD13 ILE A 29 35.829 25.490 24.868 1.00 0.00 H new ATOM 460 N ALA A 30 33.520 30.753 25.403 1.00 0.00 N ATOM 461 CA ALA A 30 32.401 31.516 24.860 1.00 0.00 C ATOM 462 C ALA A 30 32.762 33.000 24.650 1.00 0.00 C ATOM 463 O ALA A 30 32.542 33.570 23.580 1.00 0.00 O ATOM 464 CB ALA A 30 31.199 31.345 25.795 1.00 0.00 C ATOM 0 H ALA A 30 33.330 30.296 26.295 1.00 0.00 H new ATOM 0 HA ALA A 30 32.148 31.133 23.872 1.00 0.00 H new ATOM 0 HB1 ALA A 30 30.352 31.909 25.405 1.00 0.00 H new ATOM 0 HB2 ALA A 30 30.934 30.290 25.858 1.00 0.00 H new ATOM 0 HB3 ALA A 30 31.455 31.715 26.788 1.00 0.00 H new ATOM 470 N GLN A 31 33.396 33.593 25.658 1.00 0.00 N ATOM 471 CA GLN A 31 33.852 34.980 25.661 1.00 0.00 C ATOM 472 C GLN A 31 35.229 35.154 25.011 1.00 0.00 C ATOM 473 O GLN A 31 35.434 36.118 24.277 1.00 0.00 O ATOM 474 CB GLN A 31 33.815 35.491 27.085 1.00 0.00 C ATOM 475 CG GLN A 31 32.379 35.483 27.667 1.00 0.00 C ATOM 476 CD GLN A 31 32.384 35.578 29.181 1.00 0.00 C ATOM 477 OE1 GLN A 31 31.650 36.318 29.821 1.00 0.00 O ATOM 478 NE2 GLN A 31 33.214 34.785 29.810 1.00 0.00 N ATOM 0 H GLN A 31 33.614 33.104 26.526 1.00 0.00 H new ATOM 0 HA GLN A 31 33.180 35.577 25.045 1.00 0.00 H new ATOM 0 HB2 GLN A 31 34.462 34.874 27.708 1.00 0.00 H new ATOM 0 HB3 GLN A 31 34.214 36.505 27.117 1.00 0.00 H new ATOM 0 HG2 GLN A 31 31.814 36.318 27.252 1.00 0.00 H new ATOM 0 HG3 GLN A 31 31.868 34.570 27.362 1.00 0.00 H new ATOM 0 HE21 GLN A 31 33.828 34.166 29.281 1.00 0.00 H new ATOM 0 HE22 GLN A 31 33.247 34.786 30.829 1.00 0.00 H new ATOM 487 N GLY A 32 36.142 34.190 25.178 1.00 0.00 N ATOM 488 CA GLY A 32 37.461 34.200 24.532 1.00 0.00 C ATOM 489 C GLY A 32 37.413 34.033 23.010 1.00 0.00 C ATOM 490 O GLY A 32 38.290 34.551 22.315 1.00 0.00 O ATOM 0 H GLY A 32 35.985 33.374 25.770 1.00 0.00 H new ATOM 0 HA2 GLY A 32 37.962 35.139 24.768 1.00 0.00 H new ATOM 0 HA3 GLY A 32 38.067 33.399 24.956 1.00 0.00 H new ATOM 494 N HIS A 33 36.368 33.390 22.470 1.00 0.00 N ATOM 495 CA HIS A 33 36.146 33.298 21.024 1.00 0.00 C ATOM 496 C HIS A 33 35.195 34.394 20.513 1.00 0.00 C ATOM 497 O HIS A 33 35.005 34.546 19.307 1.00 0.00 O ATOM 498 CB HIS A 33 35.598 31.904 20.697 1.00 0.00 C ATOM 499 CG HIS A 33 36.041 31.406 19.337 1.00 0.00 C ATOM 500 ND1 HIS A 33 35.584 31.810 18.110 1.00 0.00 N flip ATOM 501 CD2 HIS A 33 37.006 30.457 19.098 1.00 0.00 C flip ATOM 502 CE1 HIS A 33 36.285 31.104 17.125 1.00 0.00 C flip ATOM 503 NE2 HIS A 33 37.126 30.283 17.776 1.00 0.00 N flip ATOM 0 H HIS A 33 35.654 32.919 23.026 1.00 0.00 H new ATOM 0 HA HIS A 33 37.097 33.453 20.515 1.00 0.00 H new ATOM 0 HB2 HIS A 33 35.927 31.200 21.462 1.00 0.00 H new ATOM 0 HB3 HIS A 33 34.509 31.929 20.733 1.00 0.00 H new ATOM 0 HD2 HIS A 33 37.575 29.936 19.854 1.00 0.00 H new ATOM 0 HE1 HIS A 33 36.172 31.200 16.055 1.00 0.00 H new ATOM 0 HE2 HIS A 33 37.763 29.624 17.329 1.00 0.00 H new ATOM 511 N ASN A 34 34.568 35.137 21.431 1.00 0.00 N ATOM 512 CA ASN A 34 33.482 36.077 21.157 1.00 0.00 C ATOM 513 C ASN A 34 32.377 35.457 20.299 1.00 0.00 C ATOM 514 O ASN A 34 31.980 35.982 19.258 1.00 0.00 O ATOM 515 CB ASN A 34 34.037 37.413 20.654 1.00 0.00 C ATOM 516 CG ASN A 34 34.689 38.140 21.809 1.00 0.00 C ATOM 517 OD1 ASN A 34 34.047 38.885 22.539 1.00 0.00 O ATOM 518 ND2 ASN A 34 35.922 37.840 22.116 1.00 0.00 N ATOM 0 H ASN A 34 34.814 35.097 22.420 1.00 0.00 H new ATOM 0 HA ASN A 34 32.972 36.311 22.091 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.762 37.244 19.858 1.00 0.00 H new ATOM 0 HB3 ASN A 34 33.235 38.019 20.232 1.00 0.00 H new ATOM 0 HD21 ASN A 34 36.346 38.226 22.960 1.00 0.00 H new ATOM 0 HD22 ASN A 34 36.462 37.220 21.512 1.00 0.00 H new ATOM 525 N LEU A 35 31.821 34.374 20.841 1.00 0.00 N ATOM 526 CA LEU A 35 30.483 33.912 20.456 1.00 0.00 C ATOM 527 C LEU A 35 29.499 35.081 20.620 1.00 0.00 C ATOM 528 O LEU A 35 29.562 35.828 21.602 1.00 0.00 O ATOM 529 CB LEU A 35 30.000 32.795 21.410 1.00 0.00 C ATOM 530 CG LEU A 35 30.523 31.380 21.119 1.00 0.00 C ATOM 531 CD1 LEU A 35 30.308 30.439 22.311 1.00 0.00 C ATOM 532 CD2 LEU A 35 29.775 30.775 19.930 1.00 0.00 C ATOM 0 H LEU A 35 32.275 33.798 21.549 1.00 0.00 H new ATOM 0 HA LEU A 35 30.525 33.545 19.431 1.00 0.00 H new ATOM 0 HB2 LEU A 35 30.288 33.064 22.426 1.00 0.00 H new ATOM 0 HB3 LEU A 35 28.911 32.770 21.384 1.00 0.00 H new ATOM 0 HG LEU A 35 31.589 31.477 20.911 1.00 0.00 H new ATOM 0 HD11 LEU A 35 30.691 29.448 22.066 1.00 0.00 H new ATOM 0 HD12 LEU A 35 30.837 30.828 23.181 1.00 0.00 H new ATOM 0 HD13 LEU A 35 29.243 30.372 22.534 1.00 0.00 H new ATOM 0 HD21 LEU A 35 30.154 29.772 19.733 1.00 0.00 H new ATOM 0 HD22 LEU A 35 28.711 30.722 20.159 1.00 0.00 H new ATOM 0 HD23 LEU A 35 29.926 31.399 19.049 1.00 0.00 H new ATOM 544 N ASP A 36 28.572 35.216 19.674 1.00 0.00 N ATOM 545 CA ASP A 36 27.529 36.247 19.671 1.00 0.00 C ATOM 546 C ASP A 36 26.410 35.922 20.656 1.00 0.00 C ATOM 547 O ASP A 36 25.271 35.593 20.317 1.00 0.00 O ATOM 548 CB ASP A 36 27.066 36.482 18.229 1.00 0.00 C ATOM 549 CG ASP A 36 28.010 37.448 17.518 1.00 0.00 C ATOM 550 OD1 ASP A 36 29.018 37.003 16.920 1.00 0.00 O ATOM 551 OD2 ASP A 36 27.739 38.670 17.565 1.00 0.00 O ATOM 0 H ASP A 36 28.522 34.596 18.865 1.00 0.00 H new ATOM 0 HA ASP A 36 27.931 37.193 20.035 1.00 0.00 H new ATOM 0 HB2 ASP A 36 27.033 35.534 17.692 1.00 0.00 H new ATOM 0 HB3 ASP A 36 26.053 36.885 18.227 1.00 0.00 H new ATOM 556 N MET A 37 26.785 36.034 21.925 1.00 0.00 N ATOM 557 CA MET A 37 25.937 35.955 23.081 1.00 0.00 C ATOM 558 C MET A 37 26.432 36.904 24.176 1.00 0.00 C ATOM 559 O MET A 37 27.635 37.076 24.383 1.00 0.00 O ATOM 560 CB MET A 37 25.917 34.519 23.603 1.00 0.00 C ATOM 561 CG MET A 37 25.620 33.432 22.582 1.00 0.00 C ATOM 562 SD MET A 37 25.518 31.844 23.416 1.00 0.00 S ATOM 563 CE MET A 37 27.175 31.205 23.118 1.00 0.00 C ATOM 0 H MET A 37 27.760 36.193 22.177 1.00 0.00 H new ATOM 0 HA MET A 37 24.927 36.252 22.799 1.00 0.00 H new ATOM 0 HB2 MET A 37 26.885 34.307 24.056 1.00 0.00 H new ATOM 0 HB3 MET A 37 25.173 34.454 24.397 1.00 0.00 H new ATOM 0 HG2 MET A 37 24.683 33.646 22.068 1.00 0.00 H new ATOM 0 HG3 MET A 37 26.402 33.407 21.823 1.00 0.00 H new ATOM 0 HE1 MET A 37 27.215 30.153 23.399 1.00 0.00 H new ATOM 0 HE2 MET A 37 27.420 31.308 22.061 1.00 0.00 H new ATOM 0 HE3 MET A 37 27.894 31.767 23.713 1.00 0.00 H new ATOM 573 N GLU A 38 25.477 37.469 24.906 1.00 0.00 N ATOM 574 CA GLU A 38 25.701 38.411 26.015 1.00 0.00 C ATOM 575 C GLU A 38 26.616 37.823 27.117 1.00 0.00 C ATOM 576 O GLU A 38 26.353 36.732 27.638 1.00 0.00 O ATOM 577 CB GLU A 38 24.340 38.797 26.617 1.00 0.00 C ATOM 578 CG GLU A 38 23.377 39.520 25.656 1.00 0.00 C ATOM 579 CD GLU A 38 23.769 40.978 25.394 1.00 0.00 C ATOM 580 OE1 GLU A 38 23.839 41.770 26.367 1.00 0.00 O ATOM 581 OE2 GLU A 38 23.975 41.371 24.220 1.00 0.00 O ATOM 0 H GLU A 38 24.488 37.282 24.742 1.00 0.00 H new ATOM 0 HA GLU A 38 26.210 39.288 25.616 1.00 0.00 H new ATOM 0 HB2 GLU A 38 23.853 37.893 26.981 1.00 0.00 H new ATOM 0 HB3 GLU A 38 24.512 39.437 27.482 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.348 38.982 24.708 1.00 0.00 H new ATOM 0 HG3 GLU A 38 22.369 39.490 26.071 1.00 0.00 H new ATOM 588 N GLY A 39 27.688 38.538 27.482 1.00 0.00 N ATOM 589 CA GLY A 39 28.727 38.066 28.413 1.00 0.00 C ATOM 590 C GLY A 39 28.213 37.783 29.831 1.00 0.00 C ATOM 591 O GLY A 39 27.475 38.589 30.400 1.00 0.00 O ATOM 0 H GLY A 39 27.863 39.480 27.133 1.00 0.00 H new ATOM 0 HA2 GLY A 39 29.174 37.157 28.011 1.00 0.00 H new ATOM 0 HA3 GLY A 39 29.519 38.813 28.467 1.00 0.00 H new ATOM 595 N ALA A 40 28.568 36.620 30.385 1.00 0.00 N ATOM 596 CA ALA A 40 28.124 36.171 31.705 1.00 0.00 C ATOM 597 C ALA A 40 29.020 36.638 32.869 1.00 0.00 C ATOM 598 O ALA A 40 28.507 37.157 33.862 1.00 0.00 O ATOM 599 CB ALA A 40 27.987 34.647 31.673 1.00 0.00 C ATOM 0 H ALA A 40 29.183 35.953 29.919 1.00 0.00 H new ATOM 0 HA ALA A 40 27.161 36.639 31.908 1.00 0.00 H new ATOM 0 HB1 ALA A 40 27.656 34.291 32.649 1.00 0.00 H new ATOM 0 HB2 ALA A 40 27.256 34.363 30.916 1.00 0.00 H new ATOM 0 HB3 ALA A 40 28.951 34.200 31.431 1.00 0.00 H new ATOM 605 N CYS A 41 30.342 36.426 32.762 1.00 0.00 N ATOM 606 CA CYS A 41 31.327 36.750 33.811 1.00 0.00 C ATOM 607 C CYS A 41 32.455 37.694 33.321 1.00 0.00 C ATOM 608 O CYS A 41 33.107 38.356 34.132 1.00 0.00 O ATOM 609 CB CYS A 41 31.818 35.441 34.476 1.00 0.00 C ATOM 610 SG CYS A 41 32.577 35.588 36.114 1.00 0.00 S ATOM 0 H CYS A 41 30.765 36.017 31.929 1.00 0.00 H new ATOM 0 HA CYS A 41 30.839 37.341 34.586 1.00 0.00 H new ATOM 0 HB2 CYS A 41 30.969 34.762 34.555 1.00 0.00 H new ATOM 0 HB3 CYS A 41 32.541 34.972 33.808 1.00 0.00 H new ATOM 615 N GLY A 42 32.648 37.834 32.001 1.00 0.00 N ATOM 616 CA GLY A 42 33.372 38.942 31.360 1.00 0.00 C ATOM 617 C GLY A 42 34.854 39.075 31.717 1.00 0.00 C ATOM 618 O GLY A 42 35.379 40.191 31.713 1.00 0.00 O ATOM 0 H GLY A 42 32.292 37.156 31.327 1.00 0.00 H new ATOM 0 HA2 GLY A 42 33.289 38.826 30.279 1.00 0.00 H new ATOM 0 HA3 GLY A 42 32.872 39.875 31.620 1.00 0.00 H new ATOM 622 N GLY A 43 35.500 37.977 32.126 1.00 0.00 N ATOM 623 CA GLY A 43 36.879 37.970 32.629 1.00 0.00 C ATOM 624 C GLY A 43 37.074 38.720 33.954 1.00 0.00 C ATOM 625 O GLY A 43 38.214 38.978 34.350 1.00 0.00 O ATOM 0 H GLY A 43 35.071 37.051 32.117 1.00 0.00 H new ATOM 0 HA2 GLY A 43 37.200 36.937 32.760 1.00 0.00 H new ATOM 0 HA3 GLY A 43 37.530 38.413 31.875 1.00 0.00 H new ATOM 629 N SER A 44 35.988 39.125 34.617 1.00 0.00 N ATOM 630 CA SER A 44 36.004 40.137 35.677 1.00 0.00 C ATOM 631 C SER A 44 36.744 39.687 36.938 1.00 0.00 C ATOM 632 O SER A 44 36.574 38.559 37.409 1.00 0.00 O ATOM 633 CB SER A 44 34.578 40.594 36.006 1.00 0.00 C ATOM 634 OG SER A 44 33.770 39.527 36.467 1.00 0.00 O ATOM 0 H SER A 44 35.057 38.753 34.429 1.00 0.00 H new ATOM 0 HA SER A 44 36.568 40.984 35.287 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.614 41.375 36.765 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.125 41.034 35.118 1.00 0.00 H new ATOM 0 HG SER A 44 33.477 38.986 35.705 1.00 0.00 H new ATOM 640 N CYS A 45 37.523 40.588 37.539 1.00 0.00 N ATOM 641 CA CYS A 45 38.151 40.372 38.848 1.00 0.00 C ATOM 642 C CYS A 45 37.122 40.373 40.000 1.00 0.00 C ATOM 643 O CYS A 45 37.414 39.868 41.087 1.00 0.00 O ATOM 644 CB CYS A 45 39.259 41.414 39.049 1.00 0.00 C ATOM 645 SG CYS A 45 40.556 41.216 37.788 1.00 0.00 S ATOM 0 H CYS A 45 37.739 41.497 37.129 1.00 0.00 H new ATOM 0 HA CYS A 45 38.598 39.378 38.866 1.00 0.00 H new ATOM 0 HB2 CYS A 45 38.837 42.418 38.991 1.00 0.00 H new ATOM 0 HB3 CYS A 45 39.691 41.307 40.044 1.00 0.00 H new ATOM 0 HG CYS A 45 41.483 42.109 37.975 1.00 0.00 H new ATOM 651 N ALA A 46 35.898 40.858 39.755 1.00 0.00 N ATOM 652 CA ALA A 46 34.745 40.720 40.644 1.00 0.00 C ATOM 653 C ALA A 46 34.064 39.336 40.565 1.00 0.00 C ATOM 654 O ALA A 46 33.521 38.891 41.576 1.00 0.00 O ATOM 655 CB ALA A 46 33.748 41.836 40.306 1.00 0.00 C ATOM 0 H ALA A 46 35.679 41.374 38.903 1.00 0.00 H new ATOM 0 HA ALA A 46 35.098 40.807 41.671 1.00 0.00 H new ATOM 0 HB1 ALA A 46 32.877 41.755 40.956 1.00 0.00 H new ATOM 0 HB2 ALA A 46 34.223 42.806 40.455 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.434 41.741 39.266 1.00 0.00 H new ATOM 661 N CYS A 47 34.118 38.665 39.406 1.00 0.00 N ATOM 662 CA CYS A 47 33.382 37.443 39.046 1.00 0.00 C ATOM 663 C CYS A 47 31.838 37.552 39.140 1.00 0.00 C ATOM 664 O CYS A 47 31.280 38.223 40.012 1.00 0.00 O ATOM 665 CB CYS A 47 33.990 36.210 39.737 1.00 0.00 C ATOM 666 SG CYS A 47 34.893 35.079 38.651 1.00 0.00 S ATOM 0 H CYS A 47 34.717 38.982 38.644 1.00 0.00 H new ATOM 0 HA CYS A 47 33.524 37.302 37.975 1.00 0.00 H new ATOM 0 HB2 CYS A 47 34.666 36.550 40.522 1.00 0.00 H new ATOM 0 HB3 CYS A 47 33.188 35.656 40.225 1.00 0.00 H new ATOM 671 N SER A 48 31.123 36.909 38.211 1.00 0.00 N ATOM 672 CA SER A 48 29.675 37.047 37.995 1.00 0.00 C ATOM 673 C SER A 48 29.041 35.759 37.422 1.00 0.00 C ATOM 674 O SER A 48 29.612 34.681 37.518 1.00 0.00 O ATOM 675 CB SER A 48 29.440 38.263 37.092 1.00 0.00 C ATOM 676 OG SER A 48 28.122 38.744 37.247 1.00 0.00 O ATOM 0 H SER A 48 31.553 36.251 37.561 1.00 0.00 H new ATOM 0 HA SER A 48 29.179 37.205 38.953 1.00 0.00 H new ATOM 0 HB2 SER A 48 30.152 39.050 37.339 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.614 37.990 36.051 1.00 0.00 H new ATOM 0 HG SER A 48 28.143 39.711 37.407 1.00 0.00 H new ATOM 682 N THR A 49 27.821 35.831 36.881 1.00 0.00 N ATOM 683 CA THR A 49 26.866 34.700 36.800 1.00 0.00 C ATOM 684 C THR A 49 27.220 33.499 35.882 1.00 0.00 C ATOM 685 O THR A 49 26.553 32.474 35.952 1.00 0.00 O ATOM 686 CB THR A 49 25.456 35.268 36.538 1.00 0.00 C ATOM 687 OG1 THR A 49 24.419 34.328 36.700 1.00 0.00 O ATOM 688 CG2 THR A 49 25.316 35.885 35.146 1.00 0.00 C ATOM 0 H THR A 49 27.453 36.692 36.476 1.00 0.00 H new ATOM 0 HA THR A 49 26.924 34.208 37.771 1.00 0.00 H new ATOM 0 HB THR A 49 25.350 36.039 37.301 1.00 0.00 H new ATOM 0 HG1 THR A 49 24.667 33.685 37.396 1.00 0.00 H new ATOM 0 HG21 THR A 49 24.304 36.268 35.018 1.00 0.00 H new ATOM 0 HG22 THR A 49 26.030 36.702 35.037 1.00 0.00 H new ATOM 0 HG23 THR A 49 25.515 35.126 34.390 1.00 0.00 H new ATOM 696 N CYS A 50 28.274 33.582 35.057 1.00 0.00 N ATOM 697 CA CYS A 50 29.013 32.438 34.467 1.00 0.00 C ATOM 698 C CYS A 50 28.199 31.224 33.934 1.00 0.00 C ATOM 699 O CYS A 50 28.536 30.063 34.189 1.00 0.00 O ATOM 700 CB CYS A 50 30.076 32.020 35.481 1.00 0.00 C ATOM 701 SG CYS A 50 31.547 31.134 34.922 1.00 0.00 S ATOM 0 H CYS A 50 28.657 34.482 34.766 1.00 0.00 H new ATOM 0 HA CYS A 50 29.436 32.806 33.532 1.00 0.00 H new ATOM 0 HB2 CYS A 50 30.414 32.923 35.990 1.00 0.00 H new ATOM 0 HB3 CYS A 50 29.585 31.397 36.229 1.00 0.00 H new ATOM 706 N HIS A 51 27.117 31.466 33.186 1.00 0.00 N ATOM 707 CA HIS A 51 26.008 30.510 33.079 1.00 0.00 C ATOM 708 C HIS A 51 26.088 29.551 31.869 1.00 0.00 C ATOM 709 O HIS A 51 26.122 29.965 30.707 1.00 0.00 O ATOM 710 CB HIS A 51 24.679 31.291 33.122 1.00 0.00 C ATOM 711 CG HIS A 51 24.595 32.474 32.180 1.00 0.00 C ATOM 712 ND1 HIS A 51 25.023 32.511 30.876 1.00 0.00 N ATOM 713 CD2 HIS A 51 24.132 33.729 32.476 1.00 0.00 C ATOM 714 CE1 HIS A 51 24.835 33.748 30.398 1.00 0.00 C ATOM 715 NE2 HIS A 51 24.294 34.541 31.341 1.00 0.00 N ATOM 0 H HIS A 51 26.985 32.320 32.643 1.00 0.00 H new ATOM 0 HA HIS A 51 26.076 29.837 33.933 1.00 0.00 H new ATOM 0 HB2 HIS A 51 23.865 30.604 32.890 1.00 0.00 H new ATOM 0 HB3 HIS A 51 24.517 31.645 34.140 1.00 0.00 H new ATOM 0 HD1 HIS A 51 25.418 31.727 30.357 1.00 0.00 H new ATOM 0 HD2 HIS A 51 23.713 34.041 33.421 1.00 0.00 H new ATOM 0 HE1 HIS A 51 25.083 34.065 29.396 1.00 0.00 H new ATOM 723 N VAL A 52 26.055 28.246 32.156 1.00 0.00 N ATOM 724 CA VAL A 52 25.832 27.131 31.213 1.00 0.00 C ATOM 725 C VAL A 52 24.954 26.036 31.804 1.00 0.00 C ATOM 726 O VAL A 52 24.778 25.927 33.013 1.00 0.00 O ATOM 727 CB VAL A 52 27.136 26.462 30.713 1.00 0.00 C ATOM 728 CG1 VAL A 52 27.515 26.986 29.345 1.00 0.00 C ATOM 729 CG2 VAL A 52 28.355 26.605 31.633 1.00 0.00 C ATOM 0 H VAL A 52 26.191 27.913 33.110 1.00 0.00 H new ATOM 0 HA VAL A 52 25.332 27.606 30.369 1.00 0.00 H new ATOM 0 HB VAL A 52 26.889 25.401 30.690 1.00 0.00 H new ATOM 0 HG11 VAL A 52 28.434 26.503 29.012 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.714 26.769 28.638 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.670 28.064 29.398 1.00 0.00 H new ATOM 0 HG21 VAL A 52 29.210 26.100 31.185 1.00 0.00 H new ATOM 0 HG22 VAL A 52 28.587 27.661 31.768 1.00 0.00 H new ATOM 0 HG23 VAL A 52 28.135 26.156 32.601 1.00 0.00 H new ATOM 739 N ILE A 53 24.470 25.162 30.934 1.00 0.00 N ATOM 740 CA ILE A 53 23.964 23.835 31.226 1.00 0.00 C ATOM 741 C ILE A 53 24.531 22.858 30.186 1.00 0.00 C ATOM 742 O ILE A 53 24.762 23.233 29.049 1.00 0.00 O ATOM 743 CB ILE A 53 22.430 23.911 31.286 1.00 0.00 C ATOM 744 CG1 ILE A 53 21.905 22.513 31.643 1.00 0.00 C ATOM 745 CG2 ILE A 53 21.828 24.534 30.013 1.00 0.00 C ATOM 746 CD1 ILE A 53 20.682 22.074 30.891 1.00 0.00 C ATOM 0 H ILE A 53 24.418 25.379 29.939 1.00 0.00 H new ATOM 0 HA ILE A 53 24.287 23.456 32.196 1.00 0.00 H new ATOM 0 HB ILE A 53 22.103 24.597 32.068 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.700 21.789 31.465 1.00 0.00 H new ATOM 0 HG13 ILE A 53 21.683 22.488 32.710 1.00 0.00 H new ATOM 0 HG21 ILE A 53 20.742 24.566 30.102 1.00 0.00 H new ATOM 0 HG22 ILE A 53 22.212 25.546 29.887 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.103 23.931 29.148 1.00 0.00 H new ATOM 0 HD11 ILE A 53 20.394 21.075 31.217 1.00 0.00 H new ATOM 0 HD12 ILE A 53 19.866 22.769 31.086 1.00 0.00 H new ATOM 0 HD13 ILE A 53 20.898 22.059 29.823 1.00 0.00 H new ATOM 758 N VAL A 54 24.806 21.617 30.578 1.00 0.00 N ATOM 759 CA VAL A 54 25.405 20.563 29.761 1.00 0.00 C ATOM 760 C VAL A 54 24.419 19.543 29.203 1.00 0.00 C ATOM 761 O VAL A 54 23.370 19.273 29.790 1.00 0.00 O ATOM 762 CB VAL A 54 26.529 19.936 30.592 1.00 0.00 C ATOM 763 CG1 VAL A 54 26.039 18.922 31.563 1.00 0.00 C ATOM 764 CG2 VAL A 54 27.626 19.189 29.820 1.00 0.00 C ATOM 0 H VAL A 54 24.606 21.301 31.527 1.00 0.00 H new ATOM 0 HA VAL A 54 25.805 21.006 28.849 1.00 0.00 H new ATOM 0 HB VAL A 54 26.941 20.833 31.055 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.882 18.515 32.121 1.00 0.00 H new ATOM 0 HG12 VAL A 54 25.338 19.389 32.255 1.00 0.00 H new ATOM 0 HG13 VAL A 54 25.537 18.117 31.026 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.360 18.793 30.522 1.00 0.00 H new ATOM 0 HG22 VAL A 54 27.181 18.367 29.259 1.00 0.00 H new ATOM 0 HG23 VAL A 54 28.117 19.875 29.130 1.00 0.00 H new ATOM 774 N ASP A 55 24.848 18.902 28.116 1.00 0.00 N ATOM 775 CA ASP A 55 24.298 17.636 27.645 1.00 0.00 C ATOM 776 C ASP A 55 24.291 16.594 28.801 1.00 0.00 C ATOM 777 O ASP A 55 25.330 16.421 29.458 1.00 0.00 O ATOM 778 CB ASP A 55 25.291 17.138 26.583 1.00 0.00 C ATOM 779 CG ASP A 55 24.808 15.954 25.737 1.00 0.00 C ATOM 780 OD1 ASP A 55 24.033 15.113 26.232 1.00 0.00 O ATOM 781 OD2 ASP A 55 25.209 15.851 24.552 1.00 0.00 O ATOM 0 H ASP A 55 25.602 19.257 27.528 1.00 0.00 H new ATOM 0 HA ASP A 55 23.282 17.761 27.271 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.530 17.966 25.916 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.218 16.853 27.081 1.00 0.00 H new ATOM 786 N PRO A 56 23.228 15.785 28.981 1.00 0.00 N ATOM 787 CA PRO A 56 23.223 14.651 29.914 1.00 0.00 C ATOM 788 C PRO A 56 24.332 13.609 29.672 1.00 0.00 C ATOM 789 O PRO A 56 24.664 12.835 30.573 1.00 0.00 O ATOM 790 CB PRO A 56 21.825 14.037 29.780 1.00 0.00 C ATOM 791 CG PRO A 56 20.958 15.223 29.363 1.00 0.00 C ATOM 792 CD PRO A 56 21.891 16.012 28.451 1.00 0.00 C ATOM 0 HA PRO A 56 23.440 15.000 30.923 1.00 0.00 H new ATOM 0 HB2 PRO A 56 21.805 13.242 29.034 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.485 13.601 30.720 1.00 0.00 H new ATOM 0 HG2 PRO A 56 20.056 14.902 28.841 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.637 15.812 30.222 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.814 15.670 27.419 1.00 0.00 H new ATOM 0 HD3 PRO A 56 21.641 17.073 28.455 1.00 0.00 H new ATOM 800 N ASP A 57 24.947 13.603 28.488 1.00 0.00 N ATOM 801 CA ASP A 57 26.103 12.776 28.144 1.00 0.00 C ATOM 802 C ASP A 57 27.372 13.253 28.859 1.00 0.00 C ATOM 803 O ASP A 57 28.075 12.442 29.461 1.00 0.00 O ATOM 804 CB ASP A 57 26.326 12.815 26.622 1.00 0.00 C ATOM 805 CG ASP A 57 25.470 11.820 25.828 1.00 0.00 C ATOM 806 OD1 ASP A 57 24.411 11.366 26.326 1.00 0.00 O ATOM 807 OD2 ASP A 57 25.842 11.535 24.663 1.00 0.00 O ATOM 0 H ASP A 57 24.642 14.195 27.715 1.00 0.00 H new ATOM 0 HA ASP A 57 25.897 11.756 28.469 1.00 0.00 H new ATOM 0 HB2 ASP A 57 26.117 13.823 26.263 1.00 0.00 H new ATOM 0 HB3 ASP A 57 27.378 12.615 26.416 1.00 0.00 H new ATOM 812 N TYR A 58 27.665 14.560 28.852 1.00 0.00 N ATOM 813 CA TYR A 58 28.967 15.067 29.256 1.00 0.00 C ATOM 814 C TYR A 58 28.998 15.644 30.669 1.00 0.00 C ATOM 815 O TYR A 58 30.082 15.805 31.214 1.00 0.00 O ATOM 816 CB TYR A 58 29.383 16.085 28.209 1.00 0.00 C ATOM 817 CG TYR A 58 29.654 15.468 26.853 1.00 0.00 C ATOM 818 CD1 TYR A 58 30.906 14.900 26.555 1.00 0.00 C ATOM 819 CD2 TYR A 58 28.626 15.435 25.900 1.00 0.00 C ATOM 820 CE1 TYR A 58 31.126 14.311 25.293 1.00 0.00 C ATOM 821 CE2 TYR A 58 28.840 14.870 24.632 1.00 0.00 C ATOM 822 CZ TYR A 58 30.093 14.292 24.329 1.00 0.00 C ATOM 823 OH TYR A 58 30.308 13.703 23.123 1.00 0.00 O ATOM 0 H TYR A 58 27.006 15.285 28.567 1.00 0.00 H new ATOM 0 HA TYR A 58 29.676 14.241 29.305 1.00 0.00 H new ATOM 0 HB2 TYR A 58 28.599 16.836 28.109 1.00 0.00 H new ATOM 0 HB3 TYR A 58 30.279 16.603 28.551 1.00 0.00 H new ATOM 0 HD1 TYR A 58 31.696 14.915 27.291 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.659 15.849 26.144 1.00 0.00 H new ATOM 0 HE1 TYR A 58 32.086 13.873 25.063 1.00 0.00 H new ATOM 0 HE2 TYR A 58 28.052 14.877 23.894 1.00 0.00 H new ATOM 0 HH TYR A 58 29.499 13.774 22.575 1.00 0.00 H new ATOM 833 N TYR A 59 27.840 15.882 31.290 1.00 0.00 N ATOM 834 CA TYR A 59 27.746 16.034 32.763 1.00 0.00 C ATOM 835 C TYR A 59 28.160 14.783 33.499 1.00 0.00 C ATOM 836 O TYR A 59 28.545 14.851 34.658 1.00 0.00 O ATOM 837 CB TYR A 59 26.290 16.171 33.219 1.00 0.00 C ATOM 838 CG TYR A 59 26.041 17.016 34.474 1.00 0.00 C ATOM 839 CD1 TYR A 59 26.582 18.308 34.581 1.00 0.00 C ATOM 840 CD2 TYR A 59 25.266 16.533 35.546 1.00 0.00 C ATOM 841 CE1 TYR A 59 26.342 19.120 35.690 1.00 0.00 C ATOM 842 CE2 TYR A 59 25.073 17.316 36.707 1.00 0.00 C ATOM 843 CZ TYR A 59 25.613 18.620 36.784 1.00 0.00 C ATOM 844 OH TYR A 59 25.418 19.397 37.879 1.00 0.00 O ATOM 0 H TYR A 59 26.948 15.975 30.804 1.00 0.00 H new ATOM 0 HA TYR A 59 28.375 16.898 32.976 1.00 0.00 H new ATOM 0 HB2 TYR A 59 25.715 16.601 32.399 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.893 15.172 33.397 1.00 0.00 H new ATOM 0 HD1 TYR A 59 27.202 18.684 33.781 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.814 15.554 35.480 1.00 0.00 H new ATOM 0 HE1 TYR A 59 26.716 20.133 35.708 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.511 16.916 37.538 1.00 0.00 H new ATOM 0 HH TYR A 59 24.894 18.902 38.543 1.00 0.00 H new ATOM 854 N ASP A 60 27.955 13.620 32.881 1.00 0.00 N ATOM 855 CA ASP A 60 27.788 12.407 33.678 1.00 0.00 C ATOM 856 C ASP A 60 29.102 11.914 34.315 1.00 0.00 C ATOM 857 O ASP A 60 29.152 10.934 35.059 1.00 0.00 O ATOM 858 CB ASP A 60 27.220 11.343 32.762 1.00 0.00 C ATOM 859 CG ASP A 60 26.772 10.061 33.474 1.00 0.00 C ATOM 860 OD1 ASP A 60 25.956 10.146 34.424 1.00 0.00 O ATOM 861 OD2 ASP A 60 27.233 8.962 33.084 1.00 0.00 O ATOM 0 H ASP A 60 27.902 13.493 31.870 1.00 0.00 H new ATOM 0 HA ASP A 60 27.119 12.624 34.511 1.00 0.00 H new ATOM 0 HB2 ASP A 60 26.369 11.761 32.225 1.00 0.00 H new ATOM 0 HB3 ASP A 60 27.972 11.085 32.016 1.00 0.00 H new ATOM 866 N ALA A 61 30.174 12.608 33.954 1.00 0.00 N ATOM 867 CA ALA A 61 31.553 12.426 34.383 1.00 0.00 C ATOM 868 C ALA A 61 32.016 13.546 35.343 1.00 0.00 C ATOM 869 O ALA A 61 33.203 13.630 35.679 1.00 0.00 O ATOM 870 CB ALA A 61 32.374 12.345 33.090 1.00 0.00 C ATOM 0 H ALA A 61 30.092 13.382 33.294 1.00 0.00 H new ATOM 0 HA ALA A 61 31.681 11.518 34.972 1.00 0.00 H new ATOM 0 HB1 ALA A 61 33.427 12.207 33.336 1.00 0.00 H new ATOM 0 HB2 ALA A 61 32.028 11.502 32.491 1.00 0.00 H new ATOM 0 HB3 ALA A 61 32.251 13.268 32.523 1.00 0.00 H new ATOM 876 N LEU A 62 31.104 14.454 35.729 1.00 0.00 N ATOM 877 CA LEU A 62 31.445 15.765 36.307 1.00 0.00 C ATOM 878 C LEU A 62 31.130 15.939 37.814 1.00 0.00 C ATOM 879 O LEU A 62 30.099 15.451 38.289 1.00 0.00 O ATOM 880 CB LEU A 62 30.788 16.890 35.484 1.00 0.00 C ATOM 881 CG LEU A 62 31.188 16.922 34.001 1.00 0.00 C ATOM 882 CD1 LEU A 62 30.776 18.271 33.407 1.00 0.00 C ATOM 883 CD2 LEU A 62 32.680 16.720 33.732 1.00 0.00 C ATOM 0 H LEU A 62 30.099 14.297 35.648 1.00 0.00 H new ATOM 0 HA LEU A 62 32.532 15.825 36.249 1.00 0.00 H new ATOM 0 HB2 LEU A 62 29.705 16.785 35.551 1.00 0.00 H new ATOM 0 HB3 LEU A 62 31.044 17.848 35.936 1.00 0.00 H new ATOM 0 HG LEU A 62 30.673 16.081 33.538 1.00 0.00 H new ATOM 0 HD11 LEU A 62 31.055 18.305 32.354 1.00 0.00 H new ATOM 0 HD12 LEU A 62 29.697 18.396 33.501 1.00 0.00 H new ATOM 0 HD13 LEU A 62 31.282 19.074 33.943 1.00 0.00 H new ATOM 0 HD21 LEU A 62 32.865 16.758 32.658 1.00 0.00 H new ATOM 0 HD22 LEU A 62 33.249 17.507 34.226 1.00 0.00 H new ATOM 0 HD23 LEU A 62 32.991 15.750 34.119 1.00 0.00 H new ATOM 895 N PRO A 63 31.982 16.687 38.549 1.00 0.00 N ATOM 896 CA PRO A 63 31.818 17.071 39.960 1.00 0.00 C ATOM 897 C PRO A 63 31.031 18.380 40.157 1.00 0.00 C ATOM 898 O PRO A 63 30.768 19.116 39.206 1.00 0.00 O ATOM 899 CB PRO A 63 33.258 17.249 40.445 1.00 0.00 C ATOM 900 CG PRO A 63 33.918 17.910 39.236 1.00 0.00 C ATOM 901 CD PRO A 63 33.287 17.152 38.080 1.00 0.00 C ATOM 0 HA PRO A 63 31.243 16.322 40.505 1.00 0.00 H new ATOM 0 HB2 PRO A 63 33.315 17.876 41.335 1.00 0.00 H new ATOM 0 HB3 PRO A 63 33.725 16.297 40.696 1.00 0.00 H new ATOM 0 HG2 PRO A 63 33.706 18.978 39.188 1.00 0.00 H new ATOM 0 HG3 PRO A 63 35.002 17.801 39.252 1.00 0.00 H new ATOM 0 HD2 PRO A 63 33.178 17.796 37.207 1.00 0.00 H new ATOM 0 HD3 PRO A 63 33.913 16.312 37.780 1.00 0.00 H new ATOM 909 N GLU A 64 30.696 18.721 41.404 1.00 0.00 N ATOM 910 CA GLU A 64 30.177 20.046 41.790 1.00 0.00 C ATOM 911 C GLU A 64 31.211 20.877 42.590 1.00 0.00 C ATOM 912 O GLU A 64 31.949 20.313 43.410 1.00 0.00 O ATOM 913 CB GLU A 64 28.852 19.880 42.551 1.00 0.00 C ATOM 914 CG GLU A 64 27.725 19.479 41.584 1.00 0.00 C ATOM 915 CD GLU A 64 26.465 19.013 42.315 1.00 0.00 C ATOM 916 OE1 GLU A 64 25.740 19.857 42.891 1.00 0.00 O ATOM 917 OE2 GLU A 64 26.150 17.796 42.266 1.00 0.00 O ATOM 0 H GLU A 64 30.777 18.077 42.191 1.00 0.00 H new ATOM 0 HA GLU A 64 29.986 20.616 40.881 1.00 0.00 H new ATOM 0 HB2 GLU A 64 28.963 19.121 43.325 1.00 0.00 H new ATOM 0 HB3 GLU A 64 28.594 20.812 43.053 1.00 0.00 H new ATOM 0 HG2 GLU A 64 27.478 20.328 40.946 1.00 0.00 H new ATOM 0 HG3 GLU A 64 28.078 18.681 40.930 1.00 0.00 H new ATOM 924 N PRO A 65 31.271 22.212 42.378 1.00 0.00 N ATOM 925 CA PRO A 65 32.236 23.122 43.005 1.00 0.00 C ATOM 926 C PRO A 65 31.851 23.514 44.440 1.00 0.00 C ATOM 927 O PRO A 65 30.854 23.037 44.991 1.00 0.00 O ATOM 928 CB PRO A 65 32.327 24.325 42.056 1.00 0.00 C ATOM 929 CG PRO A 65 30.909 24.430 41.527 1.00 0.00 C ATOM 930 CD PRO A 65 30.519 22.971 41.371 1.00 0.00 C ATOM 0 HA PRO A 65 33.207 22.643 43.133 1.00 0.00 H new ATOM 0 HB2 PRO A 65 32.634 25.232 42.577 1.00 0.00 H new ATOM 0 HB3 PRO A 65 33.048 24.158 41.256 1.00 0.00 H new ATOM 0 HG2 PRO A 65 30.253 24.955 42.221 1.00 0.00 H new ATOM 0 HG3 PRO A 65 30.866 24.967 40.579 1.00 0.00 H new ATOM 0 HD2 PRO A 65 29.446 22.842 41.514 1.00 0.00 H new ATOM 0 HD3 PRO A 65 30.752 22.615 40.367 1.00 0.00 H new ATOM 938 N GLU A 66 32.662 24.362 45.078 1.00 0.00 N ATOM 939 CA GLU A 66 32.247 25.120 46.270 1.00 0.00 C ATOM 940 C GLU A 66 30.842 25.733 46.123 1.00 0.00 C ATOM 941 O GLU A 66 30.418 26.151 45.040 1.00 0.00 O ATOM 942 CB GLU A 66 33.250 26.249 46.561 1.00 0.00 C ATOM 943 CG GLU A 66 34.524 25.673 47.183 1.00 0.00 C ATOM 944 CD GLU A 66 35.556 26.733 47.588 1.00 0.00 C ATOM 945 OE1 GLU A 66 35.173 27.872 47.944 1.00 0.00 O ATOM 946 OE2 GLU A 66 36.776 26.433 47.602 1.00 0.00 O ATOM 0 H GLU A 66 33.622 24.545 44.787 1.00 0.00 H new ATOM 0 HA GLU A 66 32.222 24.408 47.095 1.00 0.00 H new ATOM 0 HB2 GLU A 66 33.493 26.777 45.639 1.00 0.00 H new ATOM 0 HB3 GLU A 66 32.803 26.978 47.237 1.00 0.00 H new ATOM 0 HG2 GLU A 66 34.254 25.089 48.063 1.00 0.00 H new ATOM 0 HG3 GLU A 66 34.984 24.986 46.473 1.00 0.00 H new ATOM 953 N ASP A 67 30.085 25.804 47.215 1.00 0.00 N ATOM 954 CA ASP A 67 28.666 26.169 47.165 1.00 0.00 C ATOM 955 C ASP A 67 28.414 27.651 46.827 1.00 0.00 C ATOM 956 O ASP A 67 27.311 28.002 46.407 1.00 0.00 O ATOM 957 CB ASP A 67 27.968 25.703 48.444 1.00 0.00 C ATOM 958 CG ASP A 67 26.451 25.803 48.302 1.00 0.00 C ATOM 959 OD1 ASP A 67 25.891 25.148 47.388 1.00 0.00 O ATOM 960 OD2 ASP A 67 25.808 26.595 49.031 1.00 0.00 O ATOM 0 H ASP A 67 30.432 25.612 48.155 1.00 0.00 H new ATOM 0 HA ASP A 67 28.216 25.641 46.324 1.00 0.00 H new ATOM 0 HB2 ASP A 67 28.250 24.673 48.663 1.00 0.00 H new ATOM 0 HB3 ASP A 67 28.300 26.310 49.286 1.00 0.00 H new ATOM 965 N ASP A 68 29.427 28.509 46.965 1.00 0.00 N ATOM 966 CA ASP A 68 29.439 29.913 46.537 1.00 0.00 C ATOM 967 C ASP A 68 29.821 30.061 45.066 1.00 0.00 C ATOM 968 O ASP A 68 29.453 31.056 44.453 1.00 0.00 O ATOM 969 CB ASP A 68 30.382 30.702 47.459 1.00 0.00 C ATOM 970 CG ASP A 68 29.910 32.136 47.699 1.00 0.00 C ATOM 971 OD1 ASP A 68 28.863 32.307 48.368 1.00 0.00 O ATOM 972 OD2 ASP A 68 30.631 33.084 47.311 1.00 0.00 O ATOM 0 H ASP A 68 30.307 28.231 47.400 1.00 0.00 H new ATOM 0 HA ASP A 68 28.432 30.321 46.622 1.00 0.00 H new ATOM 0 HB2 ASP A 68 30.464 30.186 48.416 1.00 0.00 H new ATOM 0 HB3 ASP A 68 31.380 30.721 47.021 1.00 0.00 H new ATOM 977 N GLU A 69 30.468 29.056 44.469 1.00 0.00 N ATOM 978 CA GLU A 69 30.663 28.987 43.016 1.00 0.00 C ATOM 979 C GLU A 69 29.400 28.400 42.325 1.00 0.00 C ATOM 980 O GLU A 69 28.944 28.942 41.322 1.00 0.00 O ATOM 981 CB GLU A 69 31.986 28.239 42.762 1.00 0.00 C ATOM 982 CG GLU A 69 33.165 29.198 42.999 1.00 0.00 C ATOM 983 CD GLU A 69 34.535 28.560 42.749 1.00 0.00 C ATOM 984 OE1 GLU A 69 35.119 27.956 43.683 1.00 0.00 O ATOM 985 OE2 GLU A 69 35.077 28.703 41.625 1.00 0.00 O ATOM 0 H GLU A 69 30.871 28.269 44.977 1.00 0.00 H new ATOM 0 HA GLU A 69 30.767 29.970 42.557 1.00 0.00 H new ATOM 0 HB2 GLU A 69 32.064 27.378 43.426 1.00 0.00 H new ATOM 0 HB3 GLU A 69 32.012 27.858 41.741 1.00 0.00 H new ATOM 0 HG2 GLU A 69 33.053 30.065 42.348 1.00 0.00 H new ATOM 0 HG3 GLU A 69 33.125 29.562 44.025 1.00 0.00 H new ATOM 992 N ASN A 70 28.707 27.418 42.930 1.00 0.00 N ATOM 993 CA ASN A 70 27.316 27.028 42.573 1.00 0.00 C ATOM 994 C ASN A 70 26.287 28.173 42.707 1.00 0.00 C ATOM 995 O ASN A 70 25.236 28.147 42.063 1.00 0.00 O ATOM 996 CB ASN A 70 26.839 25.892 43.501 1.00 0.00 C ATOM 997 CG ASN A 70 27.479 24.529 43.337 1.00 0.00 C ATOM 998 OD1 ASN A 70 27.015 23.679 42.595 1.00 0.00 O ATOM 999 ND2 ASN A 70 28.508 24.248 44.091 1.00 0.00 N ATOM 0 H ASN A 70 29.096 26.861 43.691 1.00 0.00 H new ATOM 0 HA ASN A 70 27.362 26.727 41.526 1.00 0.00 H new ATOM 0 HB2 ASN A 70 26.995 26.213 44.531 1.00 0.00 H new ATOM 0 HB3 ASN A 70 25.764 25.776 43.363 1.00 0.00 H new ATOM 0 HD21 ASN A 70 28.924 23.317 44.060 1.00 0.00 H new ATOM 0 HD22 ASN A 70 28.895 24.959 44.711 1.00 0.00 H new ATOM 1006 N ASP A 71 26.576 29.168 43.543 1.00 0.00 N ATOM 1007 CA ASP A 71 25.708 30.323 43.818 1.00 0.00 C ATOM 1008 C ASP A 71 25.817 31.392 42.729 1.00 0.00 C ATOM 1009 O ASP A 71 25.004 32.305 42.708 1.00 0.00 O ATOM 1010 CB ASP A 71 26.038 30.949 45.176 1.00 0.00 C ATOM 1011 CG ASP A 71 24.864 31.681 45.826 1.00 0.00 C ATOM 1012 OD1 ASP A 71 23.840 31.037 46.166 1.00 0.00 O ATOM 1013 OD2 ASP A 71 25.008 32.900 46.083 1.00 0.00 O ATOM 0 H ASP A 71 27.450 29.198 44.068 1.00 0.00 H new ATOM 0 HA ASP A 71 24.685 29.947 43.832 1.00 0.00 H new ATOM 0 HB2 ASP A 71 26.383 30.166 45.851 1.00 0.00 H new ATOM 0 HB3 ASP A 71 26.864 31.649 45.051 1.00 0.00 H new ATOM 1018 N MET A 72 26.827 31.312 41.857 1.00 0.00 N ATOM 1019 CA MET A 72 26.976 32.156 40.658 1.00 0.00 C ATOM 1020 C MET A 72 25.918 31.759 39.608 1.00 0.00 C ATOM 1021 O MET A 72 25.457 32.584 38.819 1.00 0.00 O ATOM 1022 CB MET A 72 28.429 32.075 40.175 1.00 0.00 C ATOM 1023 CG MET A 72 29.382 32.425 41.337 1.00 0.00 C ATOM 1024 SD MET A 72 29.187 34.113 41.976 1.00 0.00 S ATOM 1025 CE MET A 72 30.441 34.955 40.986 1.00 0.00 C ATOM 0 H MET A 72 27.587 30.641 41.965 1.00 0.00 H new ATOM 0 HA MET A 72 26.785 33.207 40.875 1.00 0.00 H new ATOM 0 HB2 MET A 72 28.644 31.073 39.804 1.00 0.00 H new ATOM 0 HB3 MET A 72 28.585 32.763 39.344 1.00 0.00 H new ATOM 0 HG2 MET A 72 29.219 31.719 42.151 1.00 0.00 H new ATOM 0 HG3 MET A 72 30.410 32.292 41.001 1.00 0.00 H new ATOM 0 HE1 MET A 72 30.187 36.011 40.899 1.00 0.00 H new ATOM 0 HE2 MET A 72 31.413 34.855 41.468 1.00 0.00 H new ATOM 0 HE3 MET A 72 30.481 34.508 39.993 1.00 0.00 H new ATOM 1035 N LEU A 73 25.478 30.497 39.676 1.00 0.00 N ATOM 1036 CA LEU A 73 24.505 29.850 38.799 1.00 0.00 C ATOM 1037 C LEU A 73 23.060 30.095 39.255 1.00 0.00 C ATOM 1038 O LEU A 73 22.253 30.592 38.481 1.00 0.00 O ATOM 1039 CB LEU A 73 24.808 28.343 38.729 1.00 0.00 C ATOM 1040 CG LEU A 73 26.283 27.929 38.711 1.00 0.00 C ATOM 1041 CD1 LEU A 73 26.349 26.407 38.560 1.00 0.00 C ATOM 1042 CD2 LEU A 73 26.977 28.594 37.526 1.00 0.00 C ATOM 0 H LEU A 73 25.818 29.860 40.396 1.00 0.00 H new ATOM 0 HA LEU A 73 24.597 30.289 37.806 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.332 27.862 39.583 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.333 27.944 37.833 1.00 0.00 H new ATOM 0 HG LEU A 73 26.779 28.236 39.632 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.391 26.088 38.545 1.00 0.00 H new ATOM 0 HD12 LEU A 73 25.837 25.936 39.399 1.00 0.00 H new ATOM 0 HD13 LEU A 73 25.866 26.112 37.629 1.00 0.00 H new ATOM 0 HD21 LEU A 73 28.027 28.302 37.509 1.00 0.00 H new ATOM 0 HD22 LEU A 73 26.498 28.278 36.599 1.00 0.00 H new ATOM 0 HD23 LEU A 73 26.903 29.677 37.622 1.00 0.00 H new ATOM 1054 N ASP A 74 22.760 29.792 40.526 1.00 0.00 N ATOM 1055 CA ASP A 74 21.469 30.021 41.219 1.00 0.00 C ATOM 1056 C ASP A 74 20.802 31.387 40.983 1.00 0.00 C ATOM 1057 O ASP A 74 19.594 31.537 41.177 1.00 0.00 O ATOM 1058 CB ASP A 74 21.726 29.958 42.737 1.00 0.00 C ATOM 1059 CG ASP A 74 20.431 29.811 43.548 1.00 0.00 C ATOM 1060 OD1 ASP A 74 19.715 28.798 43.350 1.00 0.00 O ATOM 1061 OD2 ASP A 74 20.164 30.661 44.433 1.00 0.00 O ATOM 0 H ASP A 74 23.447 29.355 41.140 1.00 0.00 H new ATOM 0 HA ASP A 74 20.803 29.257 40.817 1.00 0.00 H new ATOM 0 HB2 ASP A 74 22.385 29.118 42.956 1.00 0.00 H new ATOM 0 HB3 ASP A 74 22.247 30.862 43.052 1.00 0.00 H new ATOM 1066 N LEU A 75 21.579 32.403 40.610 1.00 0.00 N ATOM 1067 CA LEU A 75 21.078 33.740 40.305 1.00 0.00 C ATOM 1068 C LEU A 75 20.252 33.759 39.006 1.00 0.00 C ATOM 1069 O LEU A 75 19.304 34.541 38.889 1.00 0.00 O ATOM 1070 CB LEU A 75 22.286 34.682 40.210 1.00 0.00 C ATOM 1071 CG LEU A 75 23.254 34.661 41.412 1.00 0.00 C ATOM 1072 CD1 LEU A 75 24.137 35.903 41.347 1.00 0.00 C ATOM 1073 CD2 LEU A 75 22.576 34.570 42.785 1.00 0.00 C ATOM 0 H LEU A 75 22.590 32.318 40.510 1.00 0.00 H new ATOM 0 HA LEU A 75 20.404 34.069 41.096 1.00 0.00 H new ATOM 0 HB2 LEU A 75 22.849 34.430 39.311 1.00 0.00 H new ATOM 0 HB3 LEU A 75 21.919 35.700 40.082 1.00 0.00 H new ATOM 0 HG LEU A 75 23.838 33.745 41.324 1.00 0.00 H new ATOM 0 HD11 LEU A 75 24.827 35.903 42.190 1.00 0.00 H new ATOM 0 HD12 LEU A 75 24.702 35.899 40.415 1.00 0.00 H new ATOM 0 HD13 LEU A 75 23.513 36.796 41.389 1.00 0.00 H new ATOM 0 HD21 LEU A 75 23.336 34.561 43.566 1.00 0.00 H new ATOM 0 HD22 LEU A 75 21.921 35.430 42.925 1.00 0.00 H new ATOM 0 HD23 LEU A 75 21.988 33.654 42.840 1.00 0.00 H new ATOM 1085 N ALA A 76 20.563 32.867 38.062 1.00 0.00 N ATOM 1086 CA ALA A 76 19.808 32.651 36.831 1.00 0.00 C ATOM 1087 C ALA A 76 18.408 32.066 37.097 1.00 0.00 C ATOM 1088 O ALA A 76 18.133 31.505 38.164 1.00 0.00 O ATOM 1089 CB ALA A 76 20.631 31.724 35.923 1.00 0.00 C ATOM 0 H ALA A 76 21.376 32.256 38.139 1.00 0.00 H new ATOM 0 HA ALA A 76 19.643 33.611 36.343 1.00 0.00 H new ATOM 0 HB1 ALA A 76 20.087 31.547 34.995 1.00 0.00 H new ATOM 0 HB2 ALA A 76 21.589 32.192 35.698 1.00 0.00 H new ATOM 0 HB3 ALA A 76 20.801 30.775 36.431 1.00 0.00 H new ATOM 1095 N TYR A 77 17.516 32.171 36.111 1.00 0.00 N ATOM 1096 CA TYR A 77 16.204 31.526 36.170 1.00 0.00 C ATOM 1097 C TYR A 77 16.292 30.021 35.927 1.00 0.00 C ATOM 1098 O TYR A 77 16.992 29.563 35.018 1.00 0.00 O ATOM 1099 CB TYR A 77 15.239 32.168 35.166 1.00 0.00 C ATOM 1100 CG TYR A 77 13.848 31.554 35.131 1.00 0.00 C ATOM 1101 CD1 TYR A 77 12.866 31.971 36.050 1.00 0.00 C ATOM 1102 CD2 TYR A 77 13.536 30.566 34.178 1.00 0.00 C ATOM 1103 CE1 TYR A 77 11.569 31.420 36.005 1.00 0.00 C ATOM 1104 CE2 TYR A 77 12.246 30.002 34.140 1.00 0.00 C ATOM 1105 CZ TYR A 77 11.253 30.437 35.042 1.00 0.00 C ATOM 1106 OH TYR A 77 10.022 29.859 35.026 1.00 0.00 O ATOM 0 H TYR A 77 17.681 32.701 35.255 1.00 0.00 H new ATOM 0 HA TYR A 77 15.820 31.675 37.179 1.00 0.00 H new ATOM 0 HB2 TYR A 77 15.146 33.228 35.401 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.676 32.099 34.170 1.00 0.00 H new ATOM 0 HD1 TYR A 77 13.108 32.717 36.793 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.288 30.240 33.474 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.817 31.750 36.707 1.00 0.00 H new ATOM 0 HE2 TYR A 77 12.016 29.233 33.417 1.00 0.00 H new ATOM 0 HH TYR A 77 9.977 29.205 34.297 1.00 0.00 H new ATOM 1116 N GLY A 78 15.504 29.263 36.688 1.00 0.00 N ATOM 1117 CA GLY A 78 15.026 27.949 36.275 1.00 0.00 C ATOM 1118 C GLY A 78 16.132 26.917 36.062 1.00 0.00 C ATOM 1119 O GLY A 78 16.079 26.143 35.101 1.00 0.00 O ATOM 0 H GLY A 78 15.179 29.547 37.612 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.335 27.573 37.029 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.461 28.055 35.349 1.00 0.00 H new ATOM 1123 N LEU A 79 17.155 26.950 36.918 1.00 0.00 N ATOM 1124 CA LEU A 79 18.389 26.173 36.790 1.00 0.00 C ATOM 1125 C LEU A 79 18.153 24.645 36.817 1.00 0.00 C ATOM 1126 O LEU A 79 17.444 24.133 37.692 1.00 0.00 O ATOM 1127 CB LEU A 79 19.398 26.770 37.790 1.00 0.00 C ATOM 1128 CG LEU A 79 20.784 26.145 37.705 1.00 0.00 C ATOM 1129 CD1 LEU A 79 21.814 27.132 38.211 1.00 0.00 C ATOM 1130 CD2 LEU A 79 20.927 24.902 38.566 1.00 0.00 C ATOM 0 H LEU A 79 17.146 27.540 37.750 1.00 0.00 H new ATOM 0 HA LEU A 79 18.836 26.265 35.800 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.481 27.842 37.613 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.013 26.643 38.802 1.00 0.00 H new ATOM 0 HG LEU A 79 20.932 25.878 36.659 1.00 0.00 H new ATOM 0 HD11 LEU A 79 22.806 26.685 38.151 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.784 28.034 37.600 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.594 27.388 39.247 1.00 0.00 H new ATOM 0 HD21 LEU A 79 21.936 24.502 38.463 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.743 25.159 39.609 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.205 24.151 38.244 1.00 0.00 H new ATOM 1142 N THR A 80 18.721 23.932 35.830 1.00 0.00 N ATOM 1143 CA THR A 80 18.459 22.508 35.516 1.00 0.00 C ATOM 1144 C THR A 80 19.424 21.547 36.217 1.00 0.00 C ATOM 1145 O THR A 80 20.508 21.924 36.644 1.00 0.00 O ATOM 1146 CB THR A 80 18.535 22.213 33.999 1.00 0.00 C ATOM 1147 OG1 THR A 80 18.052 23.273 33.199 1.00 0.00 O ATOM 1148 CG2 THR A 80 17.723 20.996 33.554 1.00 0.00 C ATOM 0 H THR A 80 19.406 24.346 35.198 1.00 0.00 H new ATOM 0 HA THR A 80 17.447 22.339 35.884 1.00 0.00 H new ATOM 0 HB THR A 80 19.602 22.045 33.856 1.00 0.00 H new ATOM 0 HG1 THR A 80 17.977 22.973 32.269 1.00 0.00 H new ATOM 0 HG21 THR A 80 17.831 20.860 32.478 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.087 20.107 34.070 1.00 0.00 H new ATOM 0 HG23 THR A 80 16.672 21.152 33.796 1.00 0.00 H new ATOM 1156 N GLU A 81 19.077 20.262 36.223 1.00 0.00 N ATOM 1157 CA GLU A 81 19.806 19.152 36.858 1.00 0.00 C ATOM 1158 C GLU A 81 21.149 18.778 36.190 1.00 0.00 C ATOM 1159 O GLU A 81 21.864 17.909 36.690 1.00 0.00 O ATOM 1160 CB GLU A 81 18.898 17.909 36.918 1.00 0.00 C ATOM 1161 CG GLU A 81 17.468 18.195 37.402 1.00 0.00 C ATOM 1162 CD GLU A 81 16.645 16.910 37.443 1.00 0.00 C ATOM 1163 OE1 GLU A 81 16.228 16.413 36.369 1.00 0.00 O ATOM 1164 OE2 GLU A 81 16.436 16.351 38.545 1.00 0.00 O ATOM 0 H GLU A 81 18.228 19.942 35.757 1.00 0.00 H new ATOM 0 HA GLU A 81 20.067 19.508 37.855 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.851 17.460 35.926 1.00 0.00 H new ATOM 0 HB3 GLU A 81 19.353 17.172 37.580 1.00 0.00 H new ATOM 0 HG2 GLU A 81 17.498 18.645 38.394 1.00 0.00 H new ATOM 0 HG3 GLU A 81 16.992 18.917 36.738 1.00 0.00 H new ATOM 1171 N THR A 82 21.496 19.414 35.065 1.00 0.00 N ATOM 1172 CA THR A 82 22.841 19.401 34.458 1.00 0.00 C ATOM 1173 C THR A 82 23.429 20.808 34.306 1.00 0.00 C ATOM 1174 O THR A 82 24.267 21.068 33.437 1.00 0.00 O ATOM 1175 CB THR A 82 22.896 18.658 33.123 1.00 0.00 C ATOM 1176 OG1 THR A 82 22.045 19.238 32.158 1.00 0.00 O ATOM 1177 CG2 THR A 82 22.511 17.188 33.204 1.00 0.00 C ATOM 0 H THR A 82 20.829 19.972 34.531 1.00 0.00 H new ATOM 0 HA THR A 82 23.460 18.846 35.164 1.00 0.00 H new ATOM 0 HB THR A 82 23.945 18.739 32.838 1.00 0.00 H new ATOM 0 HG1 THR A 82 22.484 19.220 31.282 1.00 0.00 H new ATOM 0 HG21 THR A 82 22.578 16.739 32.213 1.00 0.00 H new ATOM 0 HG22 THR A 82 23.189 16.671 33.883 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.490 17.099 33.574 1.00 0.00 H new ATOM 1185 N SER A 83 22.983 21.773 35.111 1.00 0.00 N ATOM 1186 CA SER A 83 23.556 23.112 35.070 1.00 0.00 C ATOM 1187 C SER A 83 25.033 23.129 35.450 1.00 0.00 C ATOM 1188 O SER A 83 25.530 22.290 36.207 1.00 0.00 O ATOM 1189 CB SER A 83 22.777 24.076 35.935 1.00 0.00 C ATOM 1190 OG SER A 83 23.251 25.385 35.688 1.00 0.00 O ATOM 0 H SER A 83 22.234 21.651 35.792 1.00 0.00 H new ATOM 0 HA SER A 83 23.483 23.441 34.034 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.712 24.010 35.711 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.897 23.822 36.988 1.00 0.00 H new ATOM 0 HG SER A 83 22.567 25.895 35.206 1.00 0.00 H new ATOM 1196 N ARG A 84 25.764 24.080 34.878 1.00 0.00 N ATOM 1197 CA ARG A 84 27.216 24.162 34.918 1.00 0.00 C ATOM 1198 C ARG A 84 27.712 25.590 35.101 1.00 0.00 C ATOM 1199 O ARG A 84 26.993 26.567 34.911 1.00 0.00 O ATOM 1200 CB ARG A 84 27.778 23.482 33.655 1.00 0.00 C ATOM 1201 CG ARG A 84 27.857 21.952 33.743 1.00 0.00 C ATOM 1202 CD ARG A 84 28.917 21.358 34.687 1.00 0.00 C ATOM 1203 NE ARG A 84 28.712 21.577 36.130 1.00 0.00 N ATOM 1204 CZ ARG A 84 29.573 21.249 37.078 1.00 0.00 C ATOM 1205 NH1 ARG A 84 30.801 20.893 36.838 1.00 0.00 N ATOM 1206 NH2 ARG A 84 29.218 21.256 38.318 1.00 0.00 N ATOM 0 H ARG A 84 25.341 24.845 34.353 1.00 0.00 H new ATOM 0 HA ARG A 84 27.587 23.631 35.795 1.00 0.00 H new ATOM 0 HB2 ARG A 84 27.155 23.753 32.803 1.00 0.00 H new ATOM 0 HB3 ARG A 84 28.776 23.875 33.459 1.00 0.00 H new ATOM 0 HG2 ARG A 84 26.881 21.580 34.054 1.00 0.00 H new ATOM 0 HG3 ARG A 84 28.041 21.565 32.741 1.00 0.00 H new ATOM 0 HD2 ARG A 84 28.968 20.284 34.509 1.00 0.00 H new ATOM 0 HD3 ARG A 84 29.887 21.773 34.414 1.00 0.00 H new ATOM 0 HE ARG A 84 27.838 22.016 36.420 1.00 0.00 H new ATOM 0 HH11 ARG A 84 31.143 20.857 35.878 1.00 0.00 H new ATOM 0 HH12 ARG A 84 31.422 20.650 37.610 1.00 0.00 H new ATOM 0 HH21 ARG A 84 28.266 21.516 38.574 1.00 0.00 H new ATOM 0 HH22 ARG A 84 29.890 21.001 39.042 1.00 0.00 H new ATOM 1220 N LEU A 85 28.986 25.643 35.463 1.00 0.00 N ATOM 1221 CA LEU A 85 29.761 26.815 35.827 1.00 0.00 C ATOM 1222 C LEU A 85 30.942 26.939 34.867 1.00 0.00 C ATOM 1223 O LEU A 85 31.626 25.945 34.627 1.00 0.00 O ATOM 1224 CB LEU A 85 30.214 26.564 37.275 1.00 0.00 C ATOM 1225 CG LEU A 85 31.130 27.626 37.878 1.00 0.00 C ATOM 1226 CD1 LEU A 85 30.473 28.995 38.029 1.00 0.00 C ATOM 1227 CD2 LEU A 85 31.544 27.153 39.261 1.00 0.00 C ATOM 0 H LEU A 85 29.549 24.794 35.513 1.00 0.00 H new ATOM 0 HA LEU A 85 29.201 27.748 35.762 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.327 26.477 37.903 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.728 25.604 37.314 1.00 0.00 H new ATOM 0 HG LEU A 85 31.972 27.748 37.196 1.00 0.00 H new ATOM 0 HD11 LEU A 85 31.186 29.695 38.464 1.00 0.00 H new ATOM 0 HD12 LEU A 85 30.159 29.358 37.050 1.00 0.00 H new ATOM 0 HD13 LEU A 85 29.603 28.911 38.681 1.00 0.00 H new ATOM 0 HD21 LEU A 85 32.201 27.894 39.717 1.00 0.00 H new ATOM 0 HD22 LEU A 85 30.657 27.023 39.882 1.00 0.00 H new ATOM 0 HD23 LEU A 85 32.071 26.203 39.178 1.00 0.00 H new ATOM 1239 N GLY A 86 31.200 28.129 34.329 1.00 0.00 N ATOM 1240 CA GLY A 86 32.230 28.314 33.307 1.00 0.00 C ATOM 1241 C GLY A 86 33.657 27.986 33.756 1.00 0.00 C ATOM 1242 O GLY A 86 34.440 27.520 32.932 1.00 0.00 O ATOM 0 H GLY A 86 30.707 28.985 34.585 1.00 0.00 H new ATOM 0 HA2 GLY A 86 31.984 27.690 32.448 1.00 0.00 H new ATOM 0 HA3 GLY A 86 32.201 29.349 32.968 1.00 0.00 H new ATOM 1246 N CYS A 87 33.971 28.195 35.037 1.00 0.00 N ATOM 1247 CA CYS A 87 35.314 28.161 35.613 1.00 0.00 C ATOM 1248 C CYS A 87 35.752 26.811 36.211 1.00 0.00 C ATOM 1249 O CYS A 87 36.949 26.508 36.236 1.00 0.00 O ATOM 1250 CB CYS A 87 35.316 29.244 36.694 1.00 0.00 C ATOM 1251 SG CYS A 87 33.725 29.525 37.506 1.00 0.00 S ATOM 0 H CYS A 87 33.257 28.403 35.735 1.00 0.00 H new ATOM 0 HA CYS A 87 36.036 28.327 34.814 1.00 0.00 H new ATOM 0 HB2 CYS A 87 36.051 28.976 37.453 1.00 0.00 H new ATOM 0 HB3 CYS A 87 35.648 30.181 36.246 1.00 0.00 H new ATOM 1256 N GLN A 88 34.810 25.998 36.704 1.00 0.00 N ATOM 1257 CA GLN A 88 35.090 24.718 37.386 1.00 0.00 C ATOM 1258 C GLN A 88 34.734 23.484 36.544 1.00 0.00 C ATOM 1259 O GLN A 88 34.483 22.399 37.065 1.00 0.00 O ATOM 1260 CB GLN A 88 34.484 24.684 38.798 1.00 0.00 C ATOM 1261 CG GLN A 88 34.961 25.834 39.706 1.00 0.00 C ATOM 1262 CD GLN A 88 36.433 25.745 40.108 1.00 0.00 C ATOM 1263 OE1 GLN A 88 37.188 24.857 39.736 1.00 0.00 O ATOM 1264 NE2 GLN A 88 36.901 26.672 40.901 1.00 0.00 N ATOM 0 H GLN A 88 33.814 26.210 36.642 1.00 0.00 H new ATOM 0 HA GLN A 88 36.172 24.664 37.507 1.00 0.00 H new ATOM 0 HB2 GLN A 88 33.398 24.723 38.718 1.00 0.00 H new ATOM 0 HB3 GLN A 88 34.735 23.733 39.269 1.00 0.00 H new ATOM 0 HG2 GLN A 88 34.793 26.781 39.193 1.00 0.00 H new ATOM 0 HG3 GLN A 88 34.350 25.847 40.608 1.00 0.00 H new ATOM 0 HE21 GLN A 88 36.291 27.422 41.224 1.00 0.00 H new ATOM 0 HE22 GLN A 88 37.877 26.645 41.197 1.00 0.00 H new ATOM 1273 N ILE A 89 34.705 23.654 35.225 1.00 0.00 N ATOM 1274 CA ILE A 89 34.816 22.576 34.245 1.00 0.00 C ATOM 1275 C ILE A 89 35.568 23.122 33.026 1.00 0.00 C ATOM 1276 O ILE A 89 35.427 24.288 32.657 1.00 0.00 O ATOM 1277 CB ILE A 89 33.434 21.956 33.906 1.00 0.00 C ATOM 1278 CG1 ILE A 89 33.489 20.920 32.763 1.00 0.00 C ATOM 1279 CG2 ILE A 89 32.373 23.025 33.606 1.00 0.00 C ATOM 1280 CD1 ILE A 89 34.357 19.707 33.117 1.00 0.00 C ATOM 0 H ILE A 89 34.600 24.573 34.795 1.00 0.00 H new ATOM 0 HA ILE A 89 35.386 21.743 34.656 1.00 0.00 H new ATOM 0 HB ILE A 89 33.138 21.422 34.809 1.00 0.00 H new ATOM 0 HG12 ILE A 89 32.478 20.585 32.531 1.00 0.00 H new ATOM 0 HG13 ILE A 89 33.882 21.395 31.864 1.00 0.00 H new ATOM 0 HG21 ILE A 89 31.424 22.541 33.375 1.00 0.00 H new ATOM 0 HG22 ILE A 89 32.249 23.669 34.477 1.00 0.00 H new ATOM 0 HG23 ILE A 89 32.692 23.625 32.753 1.00 0.00 H new ATOM 0 HD11 ILE A 89 34.363 19.008 32.281 1.00 0.00 H new ATOM 0 HD12 ILE A 89 35.376 20.036 33.323 1.00 0.00 H new ATOM 0 HD13 ILE A 89 33.950 19.214 34.000 1.00 0.00 H new ATOM 1292 N LYS A 90 36.393 22.279 32.409 1.00 0.00 N ATOM 1293 CA LYS A 90 37.242 22.583 31.272 1.00 0.00 C ATOM 1294 C LYS A 90 37.395 21.369 30.362 1.00 0.00 C ATOM 1295 O LYS A 90 37.064 20.242 30.736 1.00 0.00 O ATOM 1296 CB LYS A 90 38.606 23.091 31.769 1.00 0.00 C ATOM 1297 CG LYS A 90 39.167 22.471 33.060 1.00 0.00 C ATOM 1298 CD LYS A 90 39.884 21.150 32.756 1.00 0.00 C ATOM 1299 CE LYS A 90 40.541 20.552 33.995 1.00 0.00 C ATOM 1300 NZ LYS A 90 39.586 19.728 34.777 1.00 0.00 N ATOM 0 H LYS A 90 36.488 21.310 32.712 1.00 0.00 H new ATOM 0 HA LYS A 90 36.774 23.369 30.679 1.00 0.00 H new ATOM 0 HB2 LYS A 90 39.335 22.930 30.974 1.00 0.00 H new ATOM 0 HB3 LYS A 90 38.530 24.168 31.919 1.00 0.00 H new ATOM 0 HG2 LYS A 90 39.860 23.167 33.533 1.00 0.00 H new ATOM 0 HG3 LYS A 90 38.357 22.297 33.768 1.00 0.00 H new ATOM 0 HD2 LYS A 90 39.169 20.437 32.346 1.00 0.00 H new ATOM 0 HD3 LYS A 90 40.642 21.318 31.990 1.00 0.00 H new ATOM 0 HE2 LYS A 90 41.391 19.939 33.696 1.00 0.00 H new ATOM 0 HE3 LYS A 90 40.930 21.353 34.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 40.067 19.337 35.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 38.787 20.319 35.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 39.234 18.949 34.185 1.00 0.00 H new ATOM 1314 N MET A 91 37.916 21.612 29.165 1.00 0.00 N ATOM 1315 CA MET A 91 38.161 20.571 28.166 1.00 0.00 C ATOM 1316 C MET A 91 39.182 19.534 28.694 1.00 0.00 C ATOM 1317 O MET A 91 40.264 19.899 29.152 1.00 0.00 O ATOM 1318 CB MET A 91 38.625 21.212 26.847 1.00 0.00 C ATOM 1319 CG MET A 91 37.745 22.338 26.281 1.00 0.00 C ATOM 1320 SD MET A 91 36.014 21.968 25.898 1.00 0.00 S ATOM 1321 CE MET A 91 35.184 22.505 27.405 1.00 0.00 C ATOM 0 H MET A 91 38.184 22.546 28.855 1.00 0.00 H new ATOM 0 HA MET A 91 37.232 20.035 27.972 1.00 0.00 H new ATOM 0 HB2 MET A 91 39.630 21.607 26.996 1.00 0.00 H new ATOM 0 HB3 MET A 91 38.699 20.427 26.095 1.00 0.00 H new ATOM 0 HG2 MET A 91 37.758 23.161 26.996 1.00 0.00 H new ATOM 0 HG3 MET A 91 38.217 22.701 25.368 1.00 0.00 H new ATOM 0 HE1 MET A 91 34.111 22.572 27.225 1.00 0.00 H new ATOM 0 HE2 MET A 91 35.375 21.786 28.201 1.00 0.00 H new ATOM 0 HE3 MET A 91 35.564 23.483 27.701 1.00 0.00 H new ATOM 1331 N SER A 92 38.846 18.246 28.622 1.00 0.00 N ATOM 1332 CA SER A 92 39.622 17.075 29.075 1.00 0.00 C ATOM 1333 C SER A 92 39.368 15.874 28.150 1.00 0.00 C ATOM 1334 O SER A 92 38.518 15.946 27.264 1.00 0.00 O ATOM 1335 CB SER A 92 39.245 16.714 30.518 1.00 0.00 C ATOM 1336 OG SER A 92 37.957 16.131 30.570 1.00 0.00 O ATOM 0 H SER A 92 37.955 17.964 28.214 1.00 0.00 H new ATOM 0 HA SER A 92 40.682 17.328 29.039 1.00 0.00 H new ATOM 0 HB2 SER A 92 39.980 16.021 30.928 1.00 0.00 H new ATOM 0 HB3 SER A 92 39.269 17.609 31.140 1.00 0.00 H new ATOM 0 HG SER A 92 37.737 15.907 31.498 1.00 0.00 H new ATOM 1342 N LYS A 93 40.052 14.738 28.332 1.00 0.00 N ATOM 1343 CA LYS A 93 39.925 13.582 27.417 1.00 0.00 C ATOM 1344 C LYS A 93 38.529 12.933 27.363 1.00 0.00 C ATOM 1345 O LYS A 93 38.223 12.236 26.392 1.00 0.00 O ATOM 1346 CB LYS A 93 41.027 12.553 27.739 1.00 0.00 C ATOM 1347 CG LYS A 93 42.447 13.019 27.366 1.00 0.00 C ATOM 1348 CD LYS A 93 42.671 13.055 25.849 1.00 0.00 C ATOM 1349 CE LYS A 93 44.071 13.567 25.516 1.00 0.00 C ATOM 1350 NZ LYS A 93 44.324 13.494 24.062 1.00 0.00 N ATOM 0 H LYS A 93 40.702 14.588 29.104 1.00 0.00 H new ATOM 0 HA LYS A 93 40.059 13.973 26.409 1.00 0.00 H new ATOM 0 HB2 LYS A 93 40.998 12.327 28.805 1.00 0.00 H new ATOM 0 HB3 LYS A 93 40.809 11.625 27.210 1.00 0.00 H new ATOM 0 HG2 LYS A 93 42.621 14.012 27.780 1.00 0.00 H new ATOM 0 HG3 LYS A 93 43.177 12.351 27.823 1.00 0.00 H new ATOM 0 HD2 LYS A 93 42.537 12.056 25.434 1.00 0.00 H new ATOM 0 HD3 LYS A 93 41.924 13.697 25.382 1.00 0.00 H new ATOM 0 HE2 LYS A 93 44.177 14.597 25.857 1.00 0.00 H new ATOM 0 HE3 LYS A 93 44.816 12.976 26.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 45.281 13.847 23.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 44.244 12.507 23.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 43.625 14.077 23.558 1.00 0.00 H new ATOM 1364 N ASP A 94 37.664 13.183 28.349 1.00 0.00 N ATOM 1365 CA ASP A 94 36.268 12.701 28.384 1.00 0.00 C ATOM 1366 C ASP A 94 35.269 13.597 27.622 1.00 0.00 C ATOM 1367 O ASP A 94 34.134 13.184 27.369 1.00 0.00 O ATOM 1368 CB ASP A 94 35.812 12.539 29.843 1.00 0.00 C ATOM 1369 CG ASP A 94 36.197 11.169 30.409 1.00 0.00 C ATOM 1370 OD1 ASP A 94 37.316 11.028 30.961 1.00 0.00 O ATOM 1371 OD2 ASP A 94 35.404 10.208 30.255 1.00 0.00 O ATOM 0 H ASP A 94 37.914 13.738 29.167 1.00 0.00 H new ATOM 0 HA ASP A 94 36.267 11.741 27.867 1.00 0.00 H new ATOM 0 HB2 ASP A 94 36.260 13.323 30.453 1.00 0.00 H new ATOM 0 HB3 ASP A 94 34.731 12.666 29.903 1.00 0.00 H new ATOM 1376 N ILE A 95 35.669 14.817 27.247 1.00 0.00 N ATOM 1377 CA ILE A 95 34.782 15.813 26.622 1.00 0.00 C ATOM 1378 C ILE A 95 34.635 15.659 25.117 1.00 0.00 C ATOM 1379 O ILE A 95 33.993 16.505 24.520 1.00 0.00 O ATOM 1380 CB ILE A 95 35.238 17.261 26.920 1.00 0.00 C ATOM 1381 CG1 ILE A 95 36.461 17.676 26.058 1.00 0.00 C ATOM 1382 CG2 ILE A 95 35.466 17.483 28.423 1.00 0.00 C ATOM 1383 CD1 ILE A 95 36.167 18.689 24.954 1.00 0.00 C ATOM 0 H ILE A 95 36.626 15.147 27.369 1.00 0.00 H new ATOM 0 HA ILE A 95 33.810 15.621 27.075 1.00 0.00 H new ATOM 0 HB ILE A 95 34.425 17.926 26.628 1.00 0.00 H new ATOM 0 HG12 ILE A 95 37.224 18.092 26.716 1.00 0.00 H new ATOM 0 HG13 ILE A 95 36.885 16.781 25.603 1.00 0.00 H new ATOM 0 HG21 ILE A 95 35.785 18.511 28.595 1.00 0.00 H new ATOM 0 HG22 ILE A 95 34.538 17.296 28.963 1.00 0.00 H new ATOM 0 HG23 ILE A 95 36.237 16.799 28.779 1.00 0.00 H new ATOM 0 HD11 ILE A 95 37.085 18.912 24.411 1.00 0.00 H new ATOM 0 HD12 ILE A 95 35.430 18.274 24.266 1.00 0.00 H new ATOM 0 HD13 ILE A 95 35.775 19.605 25.396 1.00 0.00 H new ATOM 1395 N ASP A 96 35.287 14.687 24.481 1.00 0.00 N ATOM 1396 CA ASP A 96 35.577 14.683 23.041 1.00 0.00 C ATOM 1397 C ASP A 96 34.301 14.629 22.165 1.00 0.00 C ATOM 1398 O ASP A 96 33.901 13.579 21.657 1.00 0.00 O ATOM 1399 CB ASP A 96 36.587 13.552 22.795 1.00 0.00 C ATOM 1400 CG ASP A 96 36.967 13.333 21.330 1.00 0.00 C ATOM 1401 OD1 ASP A 96 37.444 14.292 20.674 1.00 0.00 O ATOM 1402 OD2 ASP A 96 36.781 12.202 20.819 1.00 0.00 O ATOM 0 H ASP A 96 35.638 13.859 24.961 1.00 0.00 H new ATOM 0 HA ASP A 96 36.024 15.627 22.728 1.00 0.00 H new ATOM 0 HB2 ASP A 96 37.493 13.765 23.362 1.00 0.00 H new ATOM 0 HB3 ASP A 96 36.174 12.624 23.190 1.00 0.00 H new ATOM 1407 N GLY A 97 33.673 15.793 21.994 1.00 0.00 N ATOM 1408 CA GLY A 97 32.338 16.001 21.398 1.00 0.00 C ATOM 1409 C GLY A 97 31.280 16.773 22.229 1.00 0.00 C ATOM 1410 O GLY A 97 30.129 16.859 21.800 1.00 0.00 O ATOM 0 H GLY A 97 34.102 16.672 22.282 1.00 0.00 H new ATOM 0 HA2 GLY A 97 32.473 16.531 20.455 1.00 0.00 H new ATOM 0 HA3 GLY A 97 31.924 15.022 21.158 1.00 0.00 H new ATOM 1414 N ILE A 98 31.644 17.364 23.373 1.00 0.00 N ATOM 1415 CA ILE A 98 30.774 18.046 24.352 1.00 0.00 C ATOM 1416 C ILE A 98 29.886 19.180 23.806 1.00 0.00 C ATOM 1417 O ILE A 98 30.310 20.007 22.996 1.00 0.00 O ATOM 1418 CB ILE A 98 31.649 18.521 25.542 1.00 0.00 C ATOM 1419 CG1 ILE A 98 30.868 18.927 26.810 1.00 0.00 C ATOM 1420 CG2 ILE A 98 32.669 19.596 25.128 1.00 0.00 C ATOM 1421 CD1 ILE A 98 30.629 20.425 27.040 1.00 0.00 C ATOM 0 H ILE A 98 32.621 17.382 23.664 1.00 0.00 H new ATOM 0 HA ILE A 98 30.039 17.307 24.671 1.00 0.00 H new ATOM 0 HB ILE A 98 32.203 17.629 25.834 1.00 0.00 H new ATOM 0 HG12 ILE A 98 29.898 18.431 26.782 1.00 0.00 H new ATOM 0 HG13 ILE A 98 31.402 18.534 27.675 1.00 0.00 H new ATOM 0 HG21 ILE A 98 33.256 19.894 25.997 1.00 0.00 H new ATOM 0 HG22 ILE A 98 33.332 19.193 24.363 1.00 0.00 H new ATOM 0 HG23 ILE A 98 32.142 20.464 24.731 1.00 0.00 H new ATOM 0 HD11 ILE A 98 30.070 20.566 27.965 1.00 0.00 H new ATOM 0 HD12 ILE A 98 31.587 20.939 27.113 1.00 0.00 H new ATOM 0 HD13 ILE A 98 30.060 20.835 26.206 1.00 0.00 H new ATOM 1433 N ARG A 99 28.662 19.266 24.350 1.00 0.00 N ATOM 1434 CA ARG A 99 27.713 20.384 24.197 1.00 0.00 C ATOM 1435 C ARG A 99 27.428 21.056 25.525 1.00 0.00 C ATOM 1436 O ARG A 99 27.408 20.404 26.572 1.00 0.00 O ATOM 1437 CB ARG A 99 26.331 19.866 23.730 1.00 0.00 C ATOM 1438 CG ARG A 99 25.570 20.693 22.678 1.00 0.00 C ATOM 1439 CD ARG A 99 24.116 20.184 22.567 1.00 0.00 C ATOM 1440 NE ARG A 99 23.493 20.500 21.264 1.00 0.00 N ATOM 1441 CZ ARG A 99 22.219 20.370 20.927 1.00 0.00 C ATOM 1442 NH1 ARG A 99 21.289 19.964 21.739 1.00 0.00 N ATOM 1443 NH2 ARG A 99 21.854 20.658 19.716 1.00 0.00 N ATOM 0 H ARG A 99 28.287 18.522 24.938 1.00 0.00 H new ATOM 0 HA ARG A 99 28.173 21.067 23.483 1.00 0.00 H new ATOM 0 HB2 ARG A 99 26.468 18.861 23.330 1.00 0.00 H new ATOM 0 HB3 ARG A 99 25.693 19.775 24.609 1.00 0.00 H new ATOM 0 HG2 ARG A 99 25.576 21.747 22.956 1.00 0.00 H new ATOM 0 HG3 ARG A 99 26.067 20.615 21.711 1.00 0.00 H new ATOM 0 HD2 ARG A 99 24.102 19.105 22.718 1.00 0.00 H new ATOM 0 HD3 ARG A 99 23.520 20.626 23.366 1.00 0.00 H new ATOM 0 HE ARG A 99 24.116 20.860 20.541 1.00 0.00 H new ATOM 0 HH11 ARG A 99 21.523 19.723 22.702 1.00 0.00 H new ATOM 0 HH12 ARG A 99 20.326 19.887 21.413 1.00 0.00 H new ATOM 0 HH21 ARG A 99 22.545 20.980 19.038 1.00 0.00 H new ATOM 0 HH22 ARG A 99 20.876 20.563 19.442 1.00 0.00 H new ATOM 1457 N VAL A 100 27.018 22.309 25.424 1.00 0.00 N ATOM 1458 CA VAL A 100 26.276 23.022 26.453 1.00 0.00 C ATOM 1459 C VAL A 100 25.215 23.929 25.837 1.00 0.00 C ATOM 1460 O VAL A 100 25.400 24.454 24.738 1.00 0.00 O ATOM 1461 CB VAL A 100 27.230 23.883 27.325 1.00 0.00 C ATOM 1462 CG1 VAL A 100 28.082 23.057 28.299 1.00 0.00 C ATOM 1463 CG2 VAL A 100 28.191 24.737 26.470 1.00 0.00 C ATOM 0 H VAL A 100 27.198 22.878 24.597 1.00 0.00 H new ATOM 0 HA VAL A 100 25.789 22.273 27.077 1.00 0.00 H new ATOM 0 HB VAL A 100 26.560 24.525 27.897 1.00 0.00 H new ATOM 0 HG11 VAL A 100 28.724 23.723 28.875 1.00 0.00 H new ATOM 0 HG12 VAL A 100 27.429 22.506 28.976 1.00 0.00 H new ATOM 0 HG13 VAL A 100 28.698 22.355 27.738 1.00 0.00 H new ATOM 0 HG21 VAL A 100 28.838 25.321 27.124 1.00 0.00 H new ATOM 0 HG22 VAL A 100 28.801 24.084 25.846 1.00 0.00 H new ATOM 0 HG23 VAL A 100 27.614 25.410 25.836 1.00 0.00 H new ATOM 1473 N ALA A 101 24.129 24.185 26.564 1.00 0.00 N ATOM 1474 CA ALA A 101 23.262 25.315 26.268 1.00 0.00 C ATOM 1475 C ALA A 101 23.715 26.540 27.077 1.00 0.00 C ATOM 1476 O ALA A 101 24.107 26.412 28.241 1.00 0.00 O ATOM 1477 CB ALA A 101 21.802 24.939 26.512 1.00 0.00 C ATOM 0 H ALA A 101 23.832 23.623 27.362 1.00 0.00 H new ATOM 0 HA ALA A 101 23.339 25.582 25.214 1.00 0.00 H new ATOM 0 HB1 ALA A 101 21.164 25.793 26.287 1.00 0.00 H new ATOM 0 HB2 ALA A 101 21.529 24.103 25.868 1.00 0.00 H new ATOM 0 HB3 ALA A 101 21.670 24.652 27.555 1.00 0.00 H new ATOM 1483 N LEU A 102 23.698 27.719 26.454 1.00 0.00 N ATOM 1484 CA LEU A 102 24.264 28.941 27.013 1.00 0.00 C ATOM 1485 C LEU A 102 23.185 30.045 27.103 1.00 0.00 C ATOM 1486 O LEU A 102 22.785 30.591 26.069 1.00 0.00 O ATOM 1487 CB LEU A 102 25.490 29.283 26.147 1.00 0.00 C ATOM 1488 CG LEU A 102 26.669 29.818 26.972 1.00 0.00 C ATOM 1489 CD1 LEU A 102 27.982 29.438 26.298 1.00 0.00 C ATOM 1490 CD2 LEU A 102 26.592 31.325 27.202 1.00 0.00 C ATOM 0 H LEU A 102 23.283 27.851 25.532 1.00 0.00 H new ATOM 0 HA LEU A 102 24.600 28.827 28.044 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.806 28.392 25.605 1.00 0.00 H new ATOM 0 HB3 LEU A 102 25.207 30.026 25.402 1.00 0.00 H new ATOM 0 HG LEU A 102 26.618 29.355 27.957 1.00 0.00 H new ATOM 0 HD11 LEU A 102 28.817 29.819 26.886 1.00 0.00 H new ATOM 0 HD12 LEU A 102 28.054 28.353 26.227 1.00 0.00 H new ATOM 0 HD13 LEU A 102 28.016 29.870 25.298 1.00 0.00 H new ATOM 0 HD21 LEU A 102 27.451 31.648 27.791 1.00 0.00 H new ATOM 0 HD22 LEU A 102 26.596 31.840 26.242 1.00 0.00 H new ATOM 0 HD23 LEU A 102 25.674 31.565 27.738 1.00 0.00 H new ATOM 1502 N PRO A 103 22.640 30.326 28.304 1.00 0.00 N ATOM 1503 CA PRO A 103 21.604 31.344 28.503 1.00 0.00 C ATOM 1504 C PRO A 103 22.093 32.787 28.298 1.00 0.00 C ATOM 1505 O PRO A 103 23.272 33.045 28.057 1.00 0.00 O ATOM 1506 CB PRO A 103 21.092 31.140 29.939 1.00 0.00 C ATOM 1507 CG PRO A 103 21.451 29.692 30.259 1.00 0.00 C ATOM 1508 CD PRO A 103 22.773 29.529 29.518 1.00 0.00 C ATOM 0 HA PRO A 103 20.823 31.218 27.753 1.00 0.00 H new ATOM 0 HB2 PRO A 103 21.568 31.832 30.634 1.00 0.00 H new ATOM 0 HB3 PRO A 103 20.017 31.309 30.007 1.00 0.00 H new ATOM 0 HG2 PRO A 103 21.559 29.525 31.331 1.00 0.00 H new ATOM 0 HG3 PRO A 103 20.693 28.994 29.902 1.00 0.00 H new ATOM 0 HD2 PRO A 103 23.609 29.876 30.126 1.00 0.00 H new ATOM 0 HD3 PRO A 103 22.964 28.482 29.281 1.00 0.00 H new ATOM 1516 N GLN A 104 21.178 33.740 28.464 1.00 0.00 N ATOM 1517 CA GLN A 104 21.470 35.125 28.834 1.00 0.00 C ATOM 1518 C GLN A 104 20.662 35.528 30.078 1.00 0.00 C ATOM 1519 O GLN A 104 19.474 35.214 30.190 1.00 0.00 O ATOM 1520 CB GLN A 104 21.228 36.078 27.652 1.00 0.00 C ATOM 1521 CG GLN A 104 19.808 35.985 27.061 1.00 0.00 C ATOM 1522 CD GLN A 104 19.499 37.082 26.054 1.00 0.00 C ATOM 1523 OE1 GLN A 104 20.078 38.162 26.056 1.00 0.00 O ATOM 1524 NE2 GLN A 104 18.568 36.846 25.161 1.00 0.00 N ATOM 0 H GLN A 104 20.181 33.565 28.341 1.00 0.00 H new ATOM 0 HA GLN A 104 22.527 35.202 29.088 1.00 0.00 H new ATOM 0 HB2 GLN A 104 21.409 37.102 27.979 1.00 0.00 H new ATOM 0 HB3 GLN A 104 21.953 35.861 26.868 1.00 0.00 H new ATOM 0 HG2 GLN A 104 19.686 35.015 26.579 1.00 0.00 H new ATOM 0 HG3 GLN A 104 19.081 36.032 27.872 1.00 0.00 H new ATOM 0 HE21 GLN A 104 18.083 35.949 25.155 1.00 0.00 H new ATOM 0 HE22 GLN A 104 18.329 37.560 24.473 1.00 0.00 H new ATOM 1533 N MET A 105 21.290 36.234 31.019 1.00 0.00 N ATOM 1534 CA MET A 105 20.678 36.679 32.282 1.00 0.00 C ATOM 1535 C MET A 105 21.095 38.116 32.619 1.00 0.00 C ATOM 1536 O MET A 105 22.121 38.589 32.130 1.00 0.00 O ATOM 1537 CB MET A 105 21.076 35.733 33.431 1.00 0.00 C ATOM 1538 CG MET A 105 20.585 34.290 33.247 1.00 0.00 C ATOM 1539 SD MET A 105 18.794 34.060 33.454 1.00 0.00 S ATOM 1540 CE MET A 105 18.542 32.558 32.467 1.00 0.00 C ATOM 0 H MET A 105 22.264 36.522 30.926 1.00 0.00 H new ATOM 0 HA MET A 105 19.595 36.655 32.159 1.00 0.00 H new ATOM 0 HB2 MET A 105 22.162 35.728 33.525 1.00 0.00 H new ATOM 0 HB3 MET A 105 20.677 36.126 34.366 1.00 0.00 H new ATOM 0 HG2 MET A 105 20.868 33.949 32.251 1.00 0.00 H new ATOM 0 HG3 MET A 105 21.104 33.651 33.962 1.00 0.00 H new ATOM 0 HE1 MET A 105 17.495 32.260 32.519 1.00 0.00 H new ATOM 0 HE2 MET A 105 18.812 32.755 31.430 1.00 0.00 H new ATOM 0 HE3 MET A 105 19.167 31.756 32.859 1.00 0.00 H new ATOM 1550 N THR A 106 20.328 38.799 33.471 1.00 0.00 N ATOM 1551 CA THR A 106 20.750 40.065 34.102 1.00 0.00 C ATOM 1552 C THR A 106 21.739 39.821 35.259 1.00 0.00 C ATOM 1553 O THR A 106 22.125 38.678 35.530 1.00 0.00 O ATOM 1554 CB THR A 106 19.528 40.913 34.499 1.00 0.00 C ATOM 1555 OG1 THR A 106 19.931 42.214 34.854 1.00 0.00 O ATOM 1556 CG2 THR A 106 18.712 40.353 35.661 1.00 0.00 C ATOM 0 H THR A 106 19.394 38.495 33.748 1.00 0.00 H new ATOM 0 HA THR A 106 21.303 40.652 33.369 1.00 0.00 H new ATOM 0 HB THR A 106 18.890 40.905 33.615 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.145 42.744 35.103 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.873 41.016 35.869 1.00 0.00 H new ATOM 0 HG22 THR A 106 18.336 39.364 35.399 1.00 0.00 H new ATOM 0 HG23 THR A 106 19.343 40.278 36.546 1.00 0.00 H new ATOM 1564 N ARG A 107 22.191 40.895 35.925 1.00 0.00 N ATOM 1565 CA ARG A 107 23.252 40.894 36.959 1.00 0.00 C ATOM 1566 C ARG A 107 24.546 40.206 36.496 1.00 0.00 C ATOM 1567 O ARG A 107 25.212 39.514 37.266 1.00 0.00 O ATOM 1568 CB ARG A 107 22.717 40.359 38.302 1.00 0.00 C ATOM 1569 CG ARG A 107 21.538 41.139 38.899 1.00 0.00 C ATOM 1570 CD ARG A 107 21.876 42.570 39.363 1.00 0.00 C ATOM 1571 NE ARG A 107 21.820 43.576 38.282 1.00 0.00 N ATOM 1572 CZ ARG A 107 20.729 44.116 37.762 1.00 0.00 C ATOM 1573 NH1 ARG A 107 19.529 43.737 38.099 1.00 0.00 N ATOM 1574 NH2 ARG A 107 20.804 45.071 36.883 1.00 0.00 N ATOM 0 H ARG A 107 21.816 41.828 35.755 1.00 0.00 H new ATOM 0 HA ARG A 107 23.541 41.932 37.126 1.00 0.00 H new ATOM 0 HB2 ARG A 107 22.412 39.322 38.165 1.00 0.00 H new ATOM 0 HB3 ARG A 107 23.533 40.358 39.024 1.00 0.00 H new ATOM 0 HG2 ARG A 107 20.742 41.192 38.156 1.00 0.00 H new ATOM 0 HG3 ARG A 107 21.144 40.581 39.748 1.00 0.00 H new ATOM 0 HD2 ARG A 107 21.182 42.859 40.152 1.00 0.00 H new ATOM 0 HD3 ARG A 107 22.875 42.574 39.799 1.00 0.00 H new ATOM 0 HE ARG A 107 22.713 43.886 37.898 1.00 0.00 H new ATOM 0 HH11 ARG A 107 19.403 42.996 38.789 1.00 0.00 H new ATOM 0 HH12 ARG A 107 18.715 44.181 37.673 1.00 0.00 H new ATOM 0 HH21 ARG A 107 21.715 45.417 36.582 1.00 0.00 H new ATOM 0 HH22 ARG A 107 19.952 45.474 36.494 1.00 0.00 H new ATOM 1588 N ASN A 108 24.863 40.398 35.217 1.00 0.00 N ATOM 1589 CA ASN A 108 25.942 39.773 34.455 1.00 0.00 C ATOM 1590 C ASN A 108 27.059 40.770 34.100 1.00 0.00 C ATOM 1591 O ASN A 108 26.839 41.988 34.086 1.00 0.00 O ATOM 1592 CB ASN A 108 25.317 39.171 33.181 1.00 0.00 C ATOM 1593 CG ASN A 108 24.797 40.236 32.217 1.00 0.00 C ATOM 1594 OD1 ASN A 108 23.951 41.057 32.548 1.00 0.00 O ATOM 1595 ND2 ASN A 108 25.316 40.298 31.016 1.00 0.00 N ATOM 0 H ASN A 108 24.328 41.047 34.640 1.00 0.00 H new ATOM 0 HA ASN A 108 26.414 38.999 35.060 1.00 0.00 H new ATOM 0 HB2 ASN A 108 26.061 38.558 32.672 1.00 0.00 H new ATOM 0 HB3 ASN A 108 24.497 38.510 33.461 1.00 0.00 H new ATOM 0 HD21 ASN A 108 25.015 41.025 30.367 1.00 0.00 H new ATOM 0 HD22 ASN A 108 26.021 39.619 30.730 1.00 0.00 H new ATOM 1602 N VAL A 109 28.239 40.259 33.734 1.00 0.00 N ATOM 1603 CA VAL A 109 29.371 41.081 33.271 1.00 0.00 C ATOM 1604 C VAL A 109 29.868 40.620 31.898 1.00 0.00 C ATOM 1605 O VAL A 109 30.147 39.443 31.685 1.00 0.00 O ATOM 1606 CB VAL A 109 30.511 41.127 34.310 1.00 0.00 C ATOM 1607 CG1 VAL A 109 31.636 42.060 33.841 1.00 0.00 C ATOM 1608 CG2 VAL A 109 30.025 41.667 35.663 1.00 0.00 C ATOM 0 H VAL A 109 28.441 39.259 33.749 1.00 0.00 H new ATOM 0 HA VAL A 109 29.007 42.102 33.159 1.00 0.00 H new ATOM 0 HB VAL A 109 30.866 40.102 34.418 1.00 0.00 H new ATOM 0 HG11 VAL A 109 32.429 42.078 34.588 1.00 0.00 H new ATOM 0 HG12 VAL A 109 32.037 41.699 32.894 1.00 0.00 H new ATOM 0 HG13 VAL A 109 31.241 43.067 33.707 1.00 0.00 H new ATOM 0 HG21 VAL A 109 30.856 41.684 36.368 1.00 0.00 H new ATOM 0 HG22 VAL A 109 29.638 42.678 35.534 1.00 0.00 H new ATOM 0 HG23 VAL A 109 29.235 41.023 36.049 1.00 0.00 H new ATOM 1618 N ASN A 110 30.016 41.578 30.985 1.00 0.00 N ATOM 1619 CA ASN A 110 30.587 41.446 29.642 1.00 0.00 C ATOM 1620 C ASN A 110 31.804 42.391 29.538 1.00 0.00 C ATOM 1621 O ASN A 110 31.763 43.503 30.083 1.00 0.00 O ATOM 1622 CB ASN A 110 29.456 41.760 28.639 1.00 0.00 C ATOM 1623 CG ASN A 110 29.767 41.427 27.188 1.00 0.00 C ATOM 1624 OD1 ASN A 110 30.899 41.216 26.791 1.00 0.00 O ATOM 1625 ND2 ASN A 110 28.755 41.351 26.357 1.00 0.00 N ATOM 0 H ASN A 110 29.720 42.535 31.176 1.00 0.00 H new ATOM 0 HA ASN A 110 30.957 40.445 29.421 1.00 0.00 H new ATOM 0 HB2 ASN A 110 28.564 41.210 28.938 1.00 0.00 H new ATOM 0 HB3 ASN A 110 29.215 42.821 28.708 1.00 0.00 H new ATOM 0 HD21 ASN A 110 28.916 41.115 25.378 1.00 0.00 H new ATOM 0 HD22 ASN A 110 27.807 41.528 26.690 1.00 0.00 H new ATOM 1632 N ASN A 111 32.905 41.959 28.911 1.00 0.00 N ATOM 1633 CA ASN A 111 34.169 42.700 28.990 1.00 0.00 C ATOM 1634 C ASN A 111 34.163 44.018 28.191 1.00 0.00 C ATOM 1635 O ASN A 111 33.505 44.153 27.155 1.00 0.00 O ATOM 1636 CB ASN A 111 35.388 41.809 28.676 1.00 0.00 C ATOM 1637 CG ASN A 111 35.803 41.831 27.216 1.00 0.00 C ATOM 1638 OD1 ASN A 111 36.635 42.621 26.796 1.00 0.00 O ATOM 1639 ND2 ASN A 111 35.208 41.008 26.397 1.00 0.00 N ATOM 0 H ASN A 111 32.947 41.109 28.349 1.00 0.00 H new ATOM 0 HA ASN A 111 34.270 43.006 30.031 1.00 0.00 H new ATOM 0 HB2 ASN A 111 36.230 42.132 29.288 1.00 0.00 H new ATOM 0 HB3 ASN A 111 35.160 40.783 28.964 1.00 0.00 H new ATOM 0 HD21 ASN A 111 35.437 41.023 25.403 1.00 0.00 H new ATOM 0 HD22 ASN A 111 34.514 40.350 26.751 1.00 0.00 H new ATOM 1646 N ASN A 112 34.943 44.979 28.679 1.00 0.00 N ATOM 1647 CA ASN A 112 35.116 46.315 28.111 1.00 0.00 C ATOM 1648 C ASN A 112 36.416 46.454 27.284 1.00 0.00 C ATOM 1649 O ASN A 112 36.486 47.301 26.391 1.00 0.00 O ATOM 1650 CB ASN A 112 35.071 47.289 29.299 1.00 0.00 C ATOM 1651 CG ASN A 112 35.012 48.733 28.859 1.00 0.00 C ATOM 1652 OD1 ASN A 112 36.032 49.385 28.686 1.00 0.00 O ATOM 1653 ND2 ASN A 112 33.832 49.264 28.659 1.00 0.00 N ATOM 0 H ASN A 112 35.499 44.841 29.523 1.00 0.00 H new ATOM 0 HA ASN A 112 34.324 46.532 27.394 1.00 0.00 H new ATOM 0 HB2 ASN A 112 34.201 47.065 29.916 1.00 0.00 H new ATOM 0 HB3 ASN A 112 35.952 47.138 29.923 1.00 0.00 H new ATOM 0 HD21 ASN A 112 33.754 50.234 28.355 1.00 0.00 H new ATOM 0 HD22 ASN A 112 32.990 48.707 28.808 1.00 0.00 H new ATOM 1660 N ASP A 113 37.429 45.625 27.563 1.00 0.00 N ATOM 1661 CA ASP A 113 38.724 45.584 26.870 1.00 0.00 C ATOM 1662 C ASP A 113 39.365 44.180 26.965 1.00 0.00 C ATOM 1663 O ASP A 113 39.473 43.602 28.053 1.00 0.00 O ATOM 1664 CB ASP A 113 39.644 46.657 27.473 1.00 0.00 C ATOM 1665 CG ASP A 113 41.029 46.653 26.831 1.00 0.00 C ATOM 1666 OD1 ASP A 113 41.131 47.058 25.649 1.00 0.00 O ATOM 1667 OD2 ASP A 113 41.994 46.213 27.504 1.00 0.00 O ATOM 0 H ASP A 113 37.367 44.934 28.311 1.00 0.00 H new ATOM 0 HA ASP A 113 38.573 45.792 25.811 1.00 0.00 H new ATOM 0 HB2 ASP A 113 39.188 47.639 27.344 1.00 0.00 H new ATOM 0 HB3 ASP A 113 39.742 46.489 28.546 1.00 0.00 H new ATOM 1672 N PHE A 114 39.811 43.634 25.832 1.00 0.00 N ATOM 1673 CA PHE A 114 40.209 42.228 25.660 1.00 0.00 C ATOM 1674 C PHE A 114 41.731 41.991 25.786 1.00 0.00 C ATOM 1675 O PHE A 114 42.526 42.929 25.648 1.00 0.00 O ATOM 1676 CB PHE A 114 39.655 41.765 24.301 1.00 0.00 C ATOM 1677 CG PHE A 114 39.712 40.270 24.048 1.00 0.00 C ATOM 1678 CD1 PHE A 114 38.714 39.432 24.576 1.00 0.00 C ATOM 1679 CD2 PHE A 114 40.753 39.717 23.278 1.00 0.00 C ATOM 1680 CE1 PHE A 114 38.757 38.047 24.340 1.00 0.00 C ATOM 1681 CE2 PHE A 114 40.797 38.332 23.044 1.00 0.00 C ATOM 1682 CZ PHE A 114 39.801 37.495 23.577 1.00 0.00 C ATOM 0 H PHE A 114 39.910 44.177 24.974 1.00 0.00 H new ATOM 0 HA PHE A 114 39.789 41.634 26.472 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.618 42.090 24.221 1.00 0.00 H new ATOM 0 HB3 PHE A 114 40.209 42.271 23.511 1.00 0.00 H new ATOM 0 HD1 PHE A 114 37.912 39.854 25.164 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.519 40.358 22.867 1.00 0.00 H new ATOM 0 HE1 PHE A 114 37.988 37.406 24.745 1.00 0.00 H new ATOM 0 HE2 PHE A 114 41.597 37.910 22.454 1.00 0.00 H new ATOM 0 HZ PHE A 114 39.838 36.430 23.401 1.00 0.00 H new ATOM 1692 N SER A 115 42.150 40.737 26.024 1.00 0.00 N ATOM 1693 CA SER A 115 43.555 40.264 25.994 1.00 0.00 C ATOM 1694 C SER A 115 43.655 38.743 25.824 1.00 0.00 C ATOM 1695 O SER A 115 44.395 38.284 24.919 1.00 0.00 O ATOM 1696 CB SER A 115 44.274 40.710 27.271 1.00 0.00 C ATOM 1697 OG SER A 115 45.661 40.455 27.151 1.00 0.00 O ATOM 1698 OXT SER A 115 43.014 38.010 26.614 1.00 0.00 O ATOM 0 H SER A 115 41.495 39.989 26.253 1.00 0.00 H new ATOM 0 HA SER A 115 44.038 40.710 25.125 1.00 0.00 H new ATOM 0 HB2 SER A 115 44.103 41.773 27.444 1.00 0.00 H new ATOM 0 HB3 SER A 115 43.870 40.178 28.132 1.00 0.00 H new ATOM 0 HG SER A 115 46.118 40.743 27.969 1.00 0.00 H new TER 1704 SER A 115 HETATM 1705 FE1 FES A 201 33.509 33.848 37.303 1.00 0.00 FE HETATM 1706 FE2 FES A 201 32.962 31.512 36.669 1.00 0.00 FE HETATM 1707 S1 FES A 201 34.704 32.627 35.952 1.00 0.00 S HETATM 1708 S2 FES A 201 31.985 32.618 38.276 1.00 0.00 S