USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 662 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 44 GLN : amide:sc= -3.23! C(o=-6.7!,f=-6.6!) USER MOD Set 1.2: B 44 GLN : amide:sc= -3.44! C(o=-6.7!,f=-6.3!) USER MOD Set 2.1: B 12 HIS : no HE2:sc= -2.93 X(o=-4.5,f=-4.4) USER MOD Set 2.2: B 16 HIS : no HD1:sc= -0.698 K(o=-4.5,f=-5.5!) USER MOD Set 2.3: B 40 CYS SG : rot -136:sc= 0.92 USER MOD Set 2.4: B 43 CYS SG : rot 150:sc= -1.77 USER MOD Set 3.1: A 12 HIS : no HE2:sc= -3.2 X(o=-5,f=-5.3!) USER MOD Set 3.2: A 16 HIS : no HD1:sc= -0.771 K(o=-5,f=-6.1!) USER MOD Set 3.3: A 40 CYS SG : rot -138:sc= 0.842 USER MOD Set 3.4: A 43 CYS SG : rot 159:sc= -1.85 USER MOD Single : A 1 PHE N :NH3+ 153:sc= 0.313 (180deg=0.0751) USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= -0.199 (180deg=-0.884) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -64:sc= 0.84 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 22 MET CE :methyl -157:sc= -0.207 (180deg=-1.25) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.03 K(o=-2,f=-7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 118:sc= 0.549 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ 155:sc= 0.369 (180deg=0.0929) USER MOD Single : B 7 LYS NZ :NH3+ -160:sc= -0.16 (180deg=-1.04) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -71:sc= 0.78 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : B 22 MET CE :methyl -154:sc= -0.158 (180deg=-1.42) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -2.05 K(o=-2,f=-6.9!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 99:sc= 0.589 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.478 -3.558 24.088 1.00 0.00 N ATOM 2 CA PHE A 1 94.229 -4.266 25.374 1.00 0.00 C ATOM 3 C PHE A 1 93.935 -3.237 26.471 1.00 0.00 C ATOM 4 O PHE A 1 92.800 -2.867 26.705 1.00 0.00 O ATOM 5 CB PHE A 1 95.467 -5.084 25.760 1.00 0.00 C ATOM 6 CG PHE A 1 95.546 -6.337 24.912 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.230 -6.314 23.688 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.948 -7.528 25.354 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.317 -7.477 22.908 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.034 -8.689 24.569 1.00 0.00 C ATOM 11 CZ PHE A 1 95.719 -8.663 23.348 1.00 0.00 C ATOM 0 H1 PHE A 1 95.096 -4.138 23.486 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.574 -3.396 23.600 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.938 -2.645 24.278 1.00 0.00 H new ATOM 0 HA PHE A 1 93.376 -4.935 25.261 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.367 -4.484 25.622 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.421 -5.352 26.816 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.691 -5.399 23.345 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.422 -7.551 26.297 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.846 -7.457 21.967 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.571 -9.604 24.908 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.786 -9.557 22.746 1.00 0.00 H new ATOM 23 N LEU A 2 94.951 -2.771 27.145 1.00 0.00 N ATOM 24 CA LEU A 2 94.735 -1.767 28.232 1.00 0.00 C ATOM 25 C LEU A 2 94.155 -0.468 27.658 1.00 0.00 C ATOM 26 O LEU A 2 93.293 0.158 28.252 1.00 0.00 O ATOM 27 CB LEU A 2 96.077 -1.462 28.907 1.00 0.00 C ATOM 28 CG LEU A 2 96.547 -2.677 29.726 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.025 -2.495 30.085 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.712 -2.813 31.017 1.00 0.00 C ATOM 0 H LEU A 2 95.923 -3.041 26.992 1.00 0.00 H new ATOM 0 HA LEU A 2 94.031 -2.177 28.956 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.823 -1.212 28.153 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.976 -0.593 29.557 1.00 0.00 H new ATOM 0 HG LEU A 2 96.416 -3.582 29.132 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.367 -3.352 30.666 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.614 -2.418 29.171 1.00 0.00 H new ATOM 0 HD13 LEU A 2 98.147 -1.586 30.674 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.057 -3.677 31.584 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.827 -1.913 31.621 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.661 -2.945 30.759 1.00 0.00 H new ATOM 42 N ASP A 3 94.626 -0.057 26.517 1.00 0.00 N ATOM 43 CA ASP A 3 94.120 1.206 25.905 1.00 0.00 C ATOM 44 C ASP A 3 92.655 1.058 25.509 1.00 0.00 C ATOM 45 O ASP A 3 91.850 1.935 25.746 1.00 0.00 O ATOM 46 CB ASP A 3 94.941 1.519 24.658 1.00 0.00 C ATOM 47 CG ASP A 3 96.356 1.937 25.060 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.538 2.328 26.199 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.235 1.855 24.219 1.00 0.00 O ATOM 0 H ASP A 3 95.343 -0.542 25.977 1.00 0.00 H new ATOM 0 HA ASP A 3 94.211 2.012 26.633 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.981 0.644 24.009 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.464 2.317 24.089 1.00 0.00 H new ATOM 54 N GLY A 4 92.299 -0.046 24.923 1.00 0.00 N ATOM 55 CA GLY A 4 90.880 -0.238 24.533 1.00 0.00 C ATOM 56 C GLY A 4 90.016 -0.245 25.793 1.00 0.00 C ATOM 57 O GLY A 4 88.899 0.226 25.796 1.00 0.00 O ATOM 0 H GLY A 4 92.925 -0.819 24.698 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.562 0.561 23.863 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.762 -1.176 23.990 1.00 0.00 H new ATOM 61 N ILE A 5 90.523 -0.787 26.867 1.00 0.00 N ATOM 62 CA ILE A 5 89.719 -0.837 28.119 1.00 0.00 C ATOM 63 C ILE A 5 89.495 0.571 28.680 1.00 0.00 C ATOM 64 O ILE A 5 88.431 0.880 29.183 1.00 0.00 O ATOM 65 CB ILE A 5 90.446 -1.701 29.159 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.336 -3.174 28.752 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.817 -1.504 30.545 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.345 -4.001 29.546 1.00 0.00 C ATOM 0 H ILE A 5 91.455 -1.196 26.931 1.00 0.00 H new ATOM 0 HA ILE A 5 88.747 -1.274 27.892 1.00 0.00 H new ATOM 0 HB ILE A 5 91.494 -1.405 29.203 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.326 -3.539 28.937 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.523 -3.282 27.684 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.341 -2.122 31.274 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.895 -0.456 30.835 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.767 -1.794 30.512 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.266 -5.049 29.256 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.353 -3.642 29.338 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.137 -3.903 30.612 1.00 0.00 H new ATOM 80 N ASP A 6 90.479 1.418 28.631 1.00 0.00 N ATOM 81 CA ASP A 6 90.287 2.776 29.205 1.00 0.00 C ATOM 82 C ASP A 6 89.135 3.465 28.480 1.00 0.00 C ATOM 83 O ASP A 6 88.270 4.055 29.095 1.00 0.00 O ATOM 84 CB ASP A 6 91.583 3.584 29.045 1.00 0.00 C ATOM 85 CG ASP A 6 91.384 4.993 29.599 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.761 5.790 28.915 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.860 5.257 30.693 1.00 0.00 O ATOM 0 H ASP A 6 91.396 1.235 28.225 1.00 0.00 H new ATOM 0 HA ASP A 6 90.047 2.705 30.266 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.399 3.088 29.571 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.865 3.633 27.993 1.00 0.00 H new ATOM 92 N LYS A 7 89.100 3.387 27.188 1.00 0.00 N ATOM 93 CA LYS A 7 87.984 4.035 26.448 1.00 0.00 C ATOM 94 C LYS A 7 86.667 3.288 26.710 1.00 0.00 C ATOM 95 O LYS A 7 85.623 3.887 26.880 1.00 0.00 O ATOM 96 CB LYS A 7 88.299 4.008 24.954 1.00 0.00 C ATOM 97 CG LYS A 7 89.453 4.969 24.679 1.00 0.00 C ATOM 98 CD LYS A 7 89.742 5.009 23.182 1.00 0.00 C ATOM 99 CE LYS A 7 90.873 6.005 22.919 1.00 0.00 C ATOM 100 NZ LYS A 7 90.472 7.347 23.439 1.00 0.00 N ATOM 0 H LYS A 7 89.790 2.906 26.610 1.00 0.00 H new ATOM 0 HA LYS A 7 87.875 5.065 26.788 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.566 2.998 24.642 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.421 4.298 24.377 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.201 5.967 25.037 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.342 4.650 25.223 1.00 0.00 H new ATOM 0 HD2 LYS A 7 90.023 4.018 22.826 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.847 5.302 22.634 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.789 5.671 23.406 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.083 6.063 21.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.026 8.085 22.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 89.460 7.501 23.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.651 7.390 24.463 1.00 0.00 H new ATOM 114 N ALA A 8 86.716 1.986 26.741 1.00 0.00 N ATOM 115 CA ALA A 8 85.479 1.183 26.984 1.00 0.00 C ATOM 116 C ALA A 8 85.015 1.336 28.433 1.00 0.00 C ATOM 117 O ALA A 8 83.839 1.238 28.732 1.00 0.00 O ATOM 118 CB ALA A 8 85.775 -0.287 26.699 1.00 0.00 C ATOM 0 H ALA A 8 87.565 1.437 26.608 1.00 0.00 H new ATOM 0 HA ALA A 8 84.688 1.542 26.325 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.877 -0.880 26.874 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.088 -0.401 25.661 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.572 -0.632 27.358 1.00 0.00 H new ATOM 124 N GLN A 9 85.927 1.554 29.339 1.00 0.00 N ATOM 125 CA GLN A 9 85.537 1.694 30.769 1.00 0.00 C ATOM 126 C GLN A 9 84.604 2.893 30.912 1.00 0.00 C ATOM 127 O GLN A 9 84.794 3.911 30.273 1.00 0.00 O ATOM 128 CB GLN A 9 86.788 1.905 31.628 1.00 0.00 C ATOM 129 CG GLN A 9 86.406 1.806 33.107 1.00 0.00 C ATOM 130 CD GLN A 9 87.653 1.965 33.982 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.707 2.339 33.502 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.580 1.692 35.258 1.00 0.00 N ATOM 0 H GLN A 9 86.926 1.641 29.151 1.00 0.00 H new ATOM 0 HA GLN A 9 85.028 0.790 31.103 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.542 1.156 31.384 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.228 2.880 31.418 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.677 2.577 33.355 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.933 0.844 33.305 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.698 1.378 35.663 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.405 1.793 35.849 1.00 0.00 H new ATOM 141 N GLU A 10 83.587 2.782 31.730 1.00 0.00 N ATOM 142 CA GLU A 10 82.637 3.922 31.892 1.00 0.00 C ATOM 143 C GLU A 10 81.674 3.650 33.054 1.00 0.00 C ATOM 144 O GLU A 10 81.608 2.565 33.594 1.00 0.00 O ATOM 145 CB GLU A 10 81.838 4.111 30.599 1.00 0.00 C ATOM 146 CG GLU A 10 81.112 5.468 30.604 1.00 0.00 C ATOM 147 CD GLU A 10 80.546 5.737 29.209 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.975 5.073 28.282 1.00 0.00 O ATOM 149 OE2 GLU A 10 79.692 6.602 29.091 1.00 0.00 O ATOM 0 H GLU A 10 83.375 1.956 32.289 1.00 0.00 H new ATOM 0 HA GLU A 10 83.205 4.827 32.108 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.507 4.054 29.740 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.112 3.305 30.492 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.309 5.462 31.341 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.801 6.262 30.890 1.00 0.00 H new ATOM 156 N GLU A 11 80.932 4.649 33.442 1.00 0.00 N ATOM 157 CA GLU A 11 79.971 4.496 34.572 1.00 0.00 C ATOM 158 C GLU A 11 79.082 3.271 34.360 1.00 0.00 C ATOM 159 O GLU A 11 78.780 2.883 33.246 1.00 0.00 O ATOM 160 CB GLU A 11 79.089 5.741 34.655 1.00 0.00 C ATOM 161 CG GLU A 11 79.916 6.927 35.149 1.00 0.00 C ATOM 162 CD GLU A 11 79.042 8.183 35.176 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.413 8.425 36.193 1.00 0.00 O ATOM 164 OE2 GLU A 11 79.012 8.880 34.175 1.00 0.00 O ATOM 0 H GLU A 11 80.950 5.577 33.019 1.00 0.00 H new ATOM 0 HA GLU A 11 80.535 4.369 35.496 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.665 5.964 33.676 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.253 5.562 35.331 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.307 6.722 36.146 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.775 7.083 34.496 1.00 0.00 H new ATOM 171 N HIS A 12 78.657 2.661 35.434 1.00 0.00 N ATOM 172 CA HIS A 12 77.783 1.458 35.332 1.00 0.00 C ATOM 173 C HIS A 12 76.433 1.842 34.726 1.00 0.00 C ATOM 174 O HIS A 12 75.453 2.038 35.421 1.00 0.00 O ATOM 175 CB HIS A 12 77.585 0.877 36.735 1.00 0.00 C ATOM 176 CG HIS A 12 76.571 -0.235 36.705 1.00 0.00 C ATOM 177 ND1 HIS A 12 76.927 -1.555 36.450 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.213 -0.250 36.929 1.00 0.00 C ATOM 179 CE1 HIS A 12 75.808 -2.302 36.530 1.00 0.00 C ATOM 180 NE2 HIS A 12 74.740 -1.553 36.816 1.00 0.00 N ATOM 0 H HIS A 12 78.881 2.948 36.387 1.00 0.00 H new ATOM 0 HA HIS A 12 78.250 0.714 34.687 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.534 0.502 37.117 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.254 1.661 37.417 1.00 0.00 H new ATOM 0 HD1 HIS A 12 77.865 -1.896 36.240 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.609 0.616 37.157 1.00 0.00 H new ATOM 0 HE1 HIS A 12 75.779 -3.371 36.382 1.00 0.00 H new ATOM 188 N GLU A 13 76.379 1.942 33.425 1.00 0.00 N ATOM 189 CA GLU A 13 75.107 2.307 32.732 1.00 0.00 C ATOM 190 C GLU A 13 74.453 1.045 32.164 1.00 0.00 C ATOM 191 O GLU A 13 74.775 -0.064 32.548 1.00 0.00 O ATOM 192 CB GLU A 13 75.412 3.283 31.595 1.00 0.00 C ATOM 193 CG GLU A 13 75.892 4.599 32.201 1.00 0.00 C ATOM 194 CD GLU A 13 76.184 5.610 31.089 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.024 5.257 29.935 1.00 0.00 O ATOM 196 OE2 GLU A 13 76.553 6.724 31.413 1.00 0.00 O ATOM 0 H GLU A 13 77.172 1.784 32.804 1.00 0.00 H new ATOM 0 HA GLU A 13 74.426 2.777 33.442 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.175 2.869 30.935 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.521 3.448 30.988 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.134 4.997 32.876 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.790 4.430 32.795 1.00 0.00 H new ATOM 203 N LYS A 14 73.534 1.209 31.252 1.00 0.00 N ATOM 204 CA LYS A 14 72.848 0.031 30.644 1.00 0.00 C ATOM 205 C LYS A 14 73.830 -0.723 29.749 1.00 0.00 C ATOM 206 O LYS A 14 73.681 -1.905 29.499 1.00 0.00 O ATOM 207 CB LYS A 14 71.665 0.518 29.807 1.00 0.00 C ATOM 208 CG LYS A 14 70.667 1.280 30.689 1.00 0.00 C ATOM 209 CD LYS A 14 69.947 0.319 31.645 1.00 0.00 C ATOM 210 CE LYS A 14 68.743 1.033 32.255 1.00 0.00 C ATOM 211 NZ LYS A 14 68.067 0.127 33.228 1.00 0.00 N ATOM 0 H LYS A 14 73.226 2.115 30.899 1.00 0.00 H new ATOM 0 HA LYS A 14 72.492 -0.634 31.431 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.020 1.165 29.005 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.170 -0.331 29.336 1.00 0.00 H new ATOM 0 HG2 LYS A 14 71.190 2.046 31.261 1.00 0.00 H new ATOM 0 HG3 LYS A 14 69.937 1.793 30.062 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.624 -0.573 31.109 1.00 0.00 H new ATOM 0 HD3 LYS A 14 70.627 -0.010 32.431 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.064 1.947 32.755 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.046 1.327 31.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 67.247 0.613 33.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.748 -0.733 32.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 68.734 -0.132 33.982 1.00 0.00 H new ATOM 225 N TYR A 15 74.822 -0.038 29.253 1.00 0.00 N ATOM 226 CA TYR A 15 75.819 -0.688 28.358 1.00 0.00 C ATOM 227 C TYR A 15 76.517 -1.827 29.109 1.00 0.00 C ATOM 228 O TYR A 15 76.803 -2.869 28.543 1.00 0.00 O ATOM 229 CB TYR A 15 76.854 0.358 27.919 1.00 0.00 C ATOM 230 CG TYR A 15 76.274 1.206 26.806 1.00 0.00 C ATOM 231 CD1 TYR A 15 76.158 0.676 25.516 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.851 2.516 27.063 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.620 1.453 24.486 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.309 3.294 26.031 1.00 0.00 C ATOM 235 CZ TYR A 15 75.194 2.761 24.741 1.00 0.00 C ATOM 236 OH TYR A 15 74.651 3.520 23.722 1.00 0.00 O ATOM 0 H TYR A 15 74.986 0.953 29.431 1.00 0.00 H new ATOM 0 HA TYR A 15 75.318 -1.096 27.480 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.131 0.988 28.764 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.764 -0.136 27.578 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.484 -0.334 25.316 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.943 2.927 28.057 1.00 0.00 H new ATOM 0 HE1 TYR A 15 75.533 1.043 23.491 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.980 4.303 26.230 1.00 0.00 H new ATOM 0 HH TYR A 15 74.406 4.404 24.067 1.00 0.00 H new ATOM 246 N HIS A 16 76.794 -1.644 30.371 1.00 0.00 N ATOM 247 CA HIS A 16 77.476 -2.722 31.137 1.00 0.00 C ATOM 248 C HIS A 16 76.596 -3.974 31.117 1.00 0.00 C ATOM 249 O HIS A 16 77.086 -5.077 30.980 1.00 0.00 O ATOM 250 CB HIS A 16 77.708 -2.286 32.588 1.00 0.00 C ATOM 251 CG HIS A 16 78.915 -1.395 32.680 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.565 -1.174 33.888 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.612 -0.672 31.738 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.601 -0.352 33.645 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.670 -0.014 32.356 1.00 0.00 N ATOM 0 H HIS A 16 76.579 -0.800 30.901 1.00 0.00 H new ATOM 0 HA HIS A 16 78.442 -2.931 30.678 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.830 -1.759 32.961 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.846 -3.163 33.220 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.375 -0.624 30.686 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.292 -0.008 34.400 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.356 0.599 31.916 1.00 0.00 H new ATOM 263 N SER A 17 75.302 -3.820 31.236 1.00 0.00 N ATOM 264 CA SER A 17 74.425 -5.025 31.202 1.00 0.00 C ATOM 265 C SER A 17 74.610 -5.716 29.848 1.00 0.00 C ATOM 266 O SER A 17 74.762 -6.920 29.773 1.00 0.00 O ATOM 267 CB SER A 17 72.956 -4.614 31.367 1.00 0.00 C ATOM 268 OG SER A 17 72.548 -3.841 30.248 1.00 0.00 O ATOM 0 H SER A 17 74.823 -2.927 31.353 1.00 0.00 H new ATOM 0 HA SER A 17 74.693 -5.699 32.015 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.328 -5.500 31.458 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.830 -4.039 32.284 1.00 0.00 H new ATOM 0 HG SER A 17 73.063 -3.007 30.221 1.00 0.00 H new ATOM 274 N ASN A 18 74.623 -4.964 28.778 1.00 0.00 N ATOM 275 CA ASN A 18 74.824 -5.579 27.431 1.00 0.00 C ATOM 276 C ASN A 18 76.317 -5.557 27.086 1.00 0.00 C ATOM 277 O ASN A 18 76.811 -4.629 26.477 1.00 0.00 O ATOM 278 CB ASN A 18 74.040 -4.784 26.383 1.00 0.00 C ATOM 279 CG ASN A 18 72.546 -4.804 26.733 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.971 -5.857 26.930 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.896 -3.675 26.829 1.00 0.00 N ATOM 0 H ASN A 18 74.503 -3.951 28.778 1.00 0.00 H new ATOM 0 HA ASN A 18 74.467 -6.609 27.440 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.401 -3.756 26.346 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.198 -5.213 25.393 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.905 -3.676 27.070 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.380 -2.792 26.663 1.00 0.00 H new ATOM 288 N TRP A 19 77.039 -6.569 27.480 1.00 0.00 N ATOM 289 CA TRP A 19 78.497 -6.599 27.176 1.00 0.00 C ATOM 290 C TRP A 19 78.708 -6.835 25.674 1.00 0.00 C ATOM 291 O TRP A 19 79.710 -6.433 25.114 1.00 0.00 O ATOM 292 CB TRP A 19 79.190 -7.688 27.998 1.00 0.00 C ATOM 293 CG TRP A 19 78.793 -9.052 27.517 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.896 -9.863 28.128 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.267 -9.778 26.344 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.804 -11.044 27.415 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.624 -11.038 26.305 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.185 -9.476 25.320 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.883 -11.963 25.290 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.442 -10.403 24.294 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.793 -11.644 24.280 1.00 0.00 C ATOM 0 H TRP A 19 76.684 -7.373 27.997 1.00 0.00 H new ATOM 0 HA TRP A 19 78.938 -5.639 27.445 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.271 -7.572 27.925 1.00 0.00 H new ATOM 0 HB3 TRP A 19 78.928 -7.578 29.050 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.343 -9.626 29.025 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.203 -11.825 27.678 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.696 -8.525 25.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.382 -12.920 25.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.145 -10.156 23.512 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.996 -12.352 23.490 1.00 0.00 H new ATOM 312 N ARG A 20 77.786 -7.499 25.025 1.00 0.00 N ATOM 313 CA ARG A 20 77.943 -7.770 23.562 1.00 0.00 C ATOM 314 C ARG A 20 78.048 -6.454 22.786 1.00 0.00 C ATOM 315 O ARG A 20 78.842 -6.323 21.877 1.00 0.00 O ATOM 316 CB ARG A 20 76.717 -8.538 23.051 1.00 0.00 C ATOM 317 CG ARG A 20 76.702 -9.968 23.599 1.00 0.00 C ATOM 318 CD ARG A 20 75.453 -10.695 23.089 1.00 0.00 C ATOM 319 NE ARG A 20 75.450 -12.100 23.597 1.00 0.00 N ATOM 320 CZ ARG A 20 74.361 -12.813 23.517 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.290 -12.288 22.999 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.332 -14.040 23.955 1.00 0.00 N ATOM 0 H ARG A 20 76.931 -7.866 25.444 1.00 0.00 H new ATOM 0 HA ARG A 20 78.850 -8.356 23.412 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.807 -8.019 23.351 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.726 -8.562 21.961 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.600 -10.500 23.284 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.707 -9.952 24.689 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.555 -10.175 23.423 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.437 -10.691 21.999 1.00 0.00 H new ATOM 0 HE ARG A 20 76.295 -12.500 24.004 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.306 -11.326 22.659 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.434 -12.838 22.932 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.168 -14.454 24.367 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.473 -14.586 23.886 1.00 0.00 H new ATOM 336 N ALA A 21 77.260 -5.479 23.140 1.00 0.00 N ATOM 337 CA ALA A 21 77.320 -4.175 22.421 1.00 0.00 C ATOM 338 C ALA A 21 78.728 -3.578 22.555 1.00 0.00 C ATOM 339 O ALA A 21 79.267 -3.013 21.623 1.00 0.00 O ATOM 340 CB ALA A 21 76.290 -3.213 23.027 1.00 0.00 C ATOM 0 H ALA A 21 76.577 -5.527 23.896 1.00 0.00 H new ATOM 0 HA ALA A 21 77.095 -4.329 21.366 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.332 -2.258 22.503 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.292 -3.639 22.927 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.514 -3.058 24.082 1.00 0.00 H new ATOM 346 N MET A 22 79.321 -3.693 23.717 1.00 0.00 N ATOM 347 CA MET A 22 80.693 -3.132 23.924 1.00 0.00 C ATOM 348 C MET A 22 81.690 -3.807 22.980 1.00 0.00 C ATOM 349 O MET A 22 82.464 -3.152 22.313 1.00 0.00 O ATOM 350 CB MET A 22 81.126 -3.381 25.367 1.00 0.00 C ATOM 351 CG MET A 22 82.403 -2.593 25.669 1.00 0.00 C ATOM 352 SD MET A 22 83.121 -3.191 27.215 1.00 0.00 S ATOM 353 CE MET A 22 81.693 -2.846 28.270 1.00 0.00 C ATOM 0 H MET A 22 78.914 -4.151 24.532 1.00 0.00 H new ATOM 0 HA MET A 22 80.673 -2.062 23.717 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.332 -3.081 26.051 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.299 -4.445 25.526 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.117 -2.709 24.854 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.178 -1.529 25.746 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.021 -2.747 29.305 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.219 -1.918 27.949 1.00 0.00 H new ATOM 0 HE3 MET A 22 80.977 -3.664 28.193 1.00 0.00 H new ATOM 363 N ALA A 23 81.680 -5.110 22.921 1.00 0.00 N ATOM 364 CA ALA A 23 82.629 -5.827 22.019 1.00 0.00 C ATOM 365 C ALA A 23 82.336 -5.453 20.568 1.00 0.00 C ATOM 366 O ALA A 23 83.232 -5.245 19.775 1.00 0.00 O ATOM 367 CB ALA A 23 82.462 -7.335 22.197 1.00 0.00 C ATOM 0 H ALA A 23 81.055 -5.711 23.459 1.00 0.00 H new ATOM 0 HA ALA A 23 83.651 -5.541 22.269 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.155 -7.858 21.538 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.672 -7.605 23.232 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.440 -7.620 21.948 1.00 0.00 H new ATOM 373 N SER A 24 81.087 -5.364 20.208 1.00 0.00 N ATOM 374 CA SER A 24 80.749 -4.998 18.807 1.00 0.00 C ATOM 375 C SER A 24 81.174 -3.552 18.542 1.00 0.00 C ATOM 376 O SER A 24 81.677 -3.221 17.486 1.00 0.00 O ATOM 377 CB SER A 24 79.247 -5.149 18.579 1.00 0.00 C ATOM 378 OG SER A 24 78.967 -4.966 17.196 1.00 0.00 O ATOM 0 H SER A 24 80.289 -5.528 20.821 1.00 0.00 H new ATOM 0 HA SER A 24 81.278 -5.661 18.122 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.914 -6.135 18.903 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.701 -4.417 19.174 1.00 0.00 H new ATOM 0 HG SER A 24 78.004 -5.063 17.042 1.00 0.00 H new ATOM 384 N ASP A 25 80.973 -2.680 19.492 1.00 0.00 N ATOM 385 CA ASP A 25 81.366 -1.256 19.284 1.00 0.00 C ATOM 386 C ASP A 25 82.883 -1.144 19.059 1.00 0.00 C ATOM 387 O ASP A 25 83.338 -0.381 18.235 1.00 0.00 O ATOM 388 CB ASP A 25 80.966 -0.433 20.515 1.00 0.00 C ATOM 389 CG ASP A 25 79.450 -0.207 20.517 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.897 -0.014 19.445 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.868 -0.229 21.591 1.00 0.00 O ATOM 0 H ASP A 25 80.556 -2.890 20.399 1.00 0.00 H new ATOM 0 HA ASP A 25 80.853 -0.873 18.402 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.267 -0.953 21.425 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.486 0.525 20.508 1.00 0.00 H new ATOM 396 N PHE A 26 83.664 -1.899 19.794 1.00 0.00 N ATOM 397 CA PHE A 26 85.157 -1.841 19.637 1.00 0.00 C ATOM 398 C PHE A 26 85.648 -3.038 18.815 1.00 0.00 C ATOM 399 O PHE A 26 86.820 -3.166 18.523 1.00 0.00 O ATOM 400 CB PHE A 26 85.803 -1.884 21.022 1.00 0.00 C ATOM 401 CG PHE A 26 85.567 -0.574 21.730 1.00 0.00 C ATOM 402 CD1 PHE A 26 84.405 -0.380 22.487 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.514 0.449 21.624 1.00 0.00 C ATOM 404 CE1 PHE A 26 84.191 0.840 23.138 1.00 0.00 C ATOM 405 CE2 PHE A 26 86.300 1.668 22.275 1.00 0.00 C ATOM 406 CZ PHE A 26 85.139 1.865 23.032 1.00 0.00 C ATOM 0 H PHE A 26 83.332 -2.557 20.500 1.00 0.00 H new ATOM 0 HA PHE A 26 85.430 -0.920 19.122 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.384 -2.705 21.605 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.873 -2.072 20.930 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.675 -1.171 22.568 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.410 0.298 21.040 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.295 0.991 23.722 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.031 2.458 22.194 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.975 2.807 23.534 1.00 0.00 H new ATOM 416 N ASN A 27 84.758 -3.911 18.444 1.00 0.00 N ATOM 417 CA ASN A 27 85.149 -5.110 17.641 1.00 0.00 C ATOM 418 C ASN A 27 86.269 -5.892 18.342 1.00 0.00 C ATOM 419 O ASN A 27 87.254 -6.249 17.727 1.00 0.00 O ATOM 420 CB ASN A 27 85.631 -4.677 16.256 1.00 0.00 C ATOM 421 CG ASN A 27 84.502 -3.965 15.512 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.673 -3.316 16.113 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.437 -4.069 14.216 1.00 0.00 N ATOM 0 H ASN A 27 83.764 -3.848 18.663 1.00 0.00 H new ATOM 0 HA ASN A 27 84.274 -5.753 17.543 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.491 -4.014 16.351 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.961 -5.547 15.688 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.687 -3.604 13.704 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.136 -4.616 13.713 1.00 0.00 H new ATOM 430 N LEU A 28 86.124 -6.170 19.619 1.00 0.00 N ATOM 431 CA LEU A 28 87.180 -6.942 20.361 1.00 0.00 C ATOM 432 C LEU A 28 86.558 -8.252 20.897 1.00 0.00 C ATOM 433 O LEU A 28 85.402 -8.268 21.274 1.00 0.00 O ATOM 434 CB LEU A 28 87.657 -6.113 21.561 1.00 0.00 C ATOM 435 CG LEU A 28 88.309 -4.803 21.089 1.00 0.00 C ATOM 436 CD1 LEU A 28 88.332 -3.805 22.249 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.751 -5.057 20.624 1.00 0.00 C ATOM 0 H LEU A 28 85.319 -5.895 20.181 1.00 0.00 H new ATOM 0 HA LEU A 28 88.014 -7.159 19.693 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.814 -5.891 22.215 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.372 -6.690 22.148 1.00 0.00 H new ATOM 0 HG LEU A 28 87.730 -4.404 20.256 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.794 -2.874 21.919 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.312 -3.607 22.579 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.907 -4.222 23.076 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.197 -4.119 20.293 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.333 -5.464 21.450 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.747 -5.768 19.798 1.00 0.00 H new ATOM 449 N PRO A 29 87.307 -9.338 20.960 1.00 0.00 N ATOM 450 CA PRO A 29 86.778 -10.629 21.501 1.00 0.00 C ATOM 451 C PRO A 29 86.045 -10.415 22.848 1.00 0.00 C ATOM 452 O PRO A 29 86.504 -9.655 23.676 1.00 0.00 O ATOM 453 CB PRO A 29 88.046 -11.475 21.712 1.00 0.00 C ATOM 454 CG PRO A 29 89.024 -10.961 20.707 1.00 0.00 C ATOM 455 CD PRO A 29 88.707 -9.473 20.513 1.00 0.00 C ATOM 0 HA PRO A 29 86.052 -11.095 20.835 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.429 -11.366 22.727 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.843 -12.535 21.559 1.00 0.00 H new ATOM 0 HG2 PRO A 29 90.047 -11.097 21.057 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.934 -11.503 19.766 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.375 -8.844 21.101 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.823 -9.174 19.471 1.00 0.00 H new ATOM 463 N PRO A 30 84.927 -11.077 23.079 1.00 0.00 N ATOM 464 CA PRO A 30 84.169 -10.943 24.360 1.00 0.00 C ATOM 465 C PRO A 30 85.108 -10.927 25.569 1.00 0.00 C ATOM 466 O PRO A 30 84.732 -10.577 26.668 1.00 0.00 O ATOM 467 CB PRO A 30 83.302 -12.212 24.391 1.00 0.00 C ATOM 468 CG PRO A 30 83.057 -12.556 22.954 1.00 0.00 C ATOM 469 CD PRO A 30 84.258 -12.016 22.158 1.00 0.00 C ATOM 0 HA PRO A 30 83.598 -10.016 24.408 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.812 -13.024 24.909 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.365 -12.036 24.919 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.961 -13.634 22.825 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.127 -12.109 22.602 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.928 -12.821 21.858 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.935 -11.514 21.246 1.00 0.00 H new ATOM 477 N VAL A 31 86.322 -11.338 25.363 1.00 0.00 N ATOM 478 CA VAL A 31 87.297 -11.406 26.485 1.00 0.00 C ATOM 479 C VAL A 31 87.510 -10.024 27.111 1.00 0.00 C ATOM 480 O VAL A 31 87.450 -9.865 28.315 1.00 0.00 O ATOM 481 CB VAL A 31 88.632 -11.923 25.930 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.727 -11.818 26.998 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.476 -13.380 25.479 1.00 0.00 C ATOM 0 H VAL A 31 86.687 -11.633 24.457 1.00 0.00 H new ATOM 0 HA VAL A 31 86.912 -12.073 27.256 1.00 0.00 H new ATOM 0 HB VAL A 31 88.920 -11.312 25.074 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.668 -12.188 26.592 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.845 -10.776 27.297 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.447 -12.415 27.866 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.426 -13.743 25.086 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.177 -13.994 26.329 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.715 -13.441 24.701 1.00 0.00 H new ATOM 493 N VAL A 32 87.772 -9.029 26.316 1.00 0.00 N ATOM 494 CA VAL A 32 88.002 -7.671 26.880 1.00 0.00 C ATOM 495 C VAL A 32 86.706 -7.170 27.510 1.00 0.00 C ATOM 496 O VAL A 32 86.697 -6.644 28.605 1.00 0.00 O ATOM 497 CB VAL A 32 88.464 -6.731 25.758 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.469 -5.281 26.247 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.881 -7.127 25.328 1.00 0.00 C ATOM 0 H VAL A 32 87.837 -9.095 25.300 1.00 0.00 H new ATOM 0 HA VAL A 32 88.776 -7.702 27.647 1.00 0.00 H new ATOM 0 HB VAL A 32 87.778 -6.815 24.915 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.799 -4.626 25.440 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.463 -4.998 26.556 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.149 -5.185 27.093 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.218 -6.464 24.531 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.556 -7.043 26.179 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.878 -8.156 24.968 1.00 0.00 H new ATOM 509 N ALA A 33 85.610 -7.337 26.835 1.00 0.00 N ATOM 510 CA ALA A 33 84.319 -6.875 27.403 1.00 0.00 C ATOM 511 C ALA A 33 84.014 -7.630 28.700 1.00 0.00 C ATOM 512 O ALA A 33 83.644 -7.040 29.691 1.00 0.00 O ATOM 513 CB ALA A 33 83.202 -7.105 26.385 1.00 0.00 C ATOM 0 H ALA A 33 85.551 -7.773 25.915 1.00 0.00 H new ATOM 0 HA ALA A 33 84.386 -5.811 27.628 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.254 -6.766 26.802 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.419 -6.546 25.475 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.136 -8.168 26.151 1.00 0.00 H new ATOM 519 N LYS A 34 84.178 -8.922 28.715 1.00 0.00 N ATOM 520 CA LYS A 34 83.898 -9.675 29.965 1.00 0.00 C ATOM 521 C LYS A 34 84.844 -9.234 31.085 1.00 0.00 C ATOM 522 O LYS A 34 84.446 -9.114 32.227 1.00 0.00 O ATOM 523 CB LYS A 34 84.047 -11.172 29.708 1.00 0.00 C ATOM 524 CG LYS A 34 82.865 -11.648 28.858 1.00 0.00 C ATOM 525 CD LYS A 34 82.994 -13.144 28.583 1.00 0.00 C ATOM 526 CE LYS A 34 81.790 -13.624 27.771 1.00 0.00 C ATOM 527 NZ LYS A 34 82.075 -14.984 27.238 1.00 0.00 N ATOM 0 H LYS A 34 84.491 -9.484 27.923 1.00 0.00 H new ATOM 0 HA LYS A 34 82.876 -9.465 30.279 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.987 -11.375 29.194 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.076 -11.716 30.652 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.928 -11.444 29.376 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.837 -11.097 27.918 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.916 -13.345 28.038 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.053 -13.693 29.523 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.898 -13.644 28.397 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.589 -12.933 26.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.260 -15.318 26.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.917 -14.949 26.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.247 -15.638 28.028 1.00 0.00 H new ATOM 541 N GLU A 35 86.094 -8.999 30.786 1.00 0.00 N ATOM 542 CA GLU A 35 87.033 -8.582 31.863 1.00 0.00 C ATOM 543 C GLU A 35 86.546 -7.270 32.492 1.00 0.00 C ATOM 544 O GLU A 35 86.576 -7.100 33.696 1.00 0.00 O ATOM 545 CB GLU A 35 88.434 -8.376 31.276 1.00 0.00 C ATOM 546 CG GLU A 35 89.446 -8.190 32.418 1.00 0.00 C ATOM 547 CD GLU A 35 89.374 -6.753 32.940 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.368 -5.846 32.124 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.323 -6.588 34.147 1.00 0.00 O ATOM 0 H GLU A 35 86.500 -9.077 29.854 1.00 0.00 H new ATOM 0 HA GLU A 35 87.071 -9.359 32.626 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.713 -9.234 30.664 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.442 -7.503 30.623 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.232 -8.892 33.224 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.453 -8.409 32.064 1.00 0.00 H new ATOM 556 N ILE A 36 86.084 -6.348 31.687 1.00 0.00 N ATOM 557 CA ILE A 36 85.581 -5.052 32.241 1.00 0.00 C ATOM 558 C ILE A 36 84.346 -5.317 33.098 1.00 0.00 C ATOM 559 O ILE A 36 84.166 -4.738 34.148 1.00 0.00 O ATOM 560 CB ILE A 36 85.209 -4.118 31.084 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.488 -3.682 30.378 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.480 -2.879 31.620 1.00 0.00 C ATOM 563 CD1 ILE A 36 86.145 -2.991 29.056 1.00 0.00 C ATOM 0 H ILE A 36 86.033 -6.435 30.672 1.00 0.00 H new ATOM 0 HA ILE A 36 86.355 -4.586 32.851 1.00 0.00 H new ATOM 0 HB ILE A 36 84.552 -4.642 30.390 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.053 -3.003 31.017 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.124 -4.548 30.192 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.220 -2.222 30.790 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.571 -3.187 32.137 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.130 -2.346 32.314 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.064 -2.682 28.558 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.599 -3.683 28.415 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.527 -2.115 29.253 1.00 0.00 H new ATOM 575 N VAL A 37 83.503 -6.198 32.652 1.00 0.00 N ATOM 576 CA VAL A 37 82.278 -6.519 33.426 1.00 0.00 C ATOM 577 C VAL A 37 82.699 -7.137 34.758 1.00 0.00 C ATOM 578 O VAL A 37 82.119 -6.876 35.794 1.00 0.00 O ATOM 579 CB VAL A 37 81.445 -7.523 32.626 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.254 -7.988 33.459 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.945 -6.854 31.345 1.00 0.00 C ATOM 0 H VAL A 37 83.610 -6.714 31.778 1.00 0.00 H new ATOM 0 HA VAL A 37 81.687 -5.622 33.609 1.00 0.00 H new ATOM 0 HB VAL A 37 82.061 -8.386 32.373 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.665 -8.703 32.884 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.612 -8.464 34.372 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.633 -7.130 33.717 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.351 -7.565 30.771 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.330 -5.991 31.601 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.797 -6.528 30.748 1.00 0.00 H new ATOM 591 N ALA A 38 83.700 -7.969 34.724 1.00 0.00 N ATOM 592 CA ALA A 38 84.183 -8.639 35.963 1.00 0.00 C ATOM 593 C ALA A 38 84.807 -7.615 36.916 1.00 0.00 C ATOM 594 O ALA A 38 84.718 -7.745 38.121 1.00 0.00 O ATOM 595 CB ALA A 38 85.245 -9.678 35.591 1.00 0.00 C ATOM 0 H ALA A 38 84.212 -8.217 33.878 1.00 0.00 H new ATOM 0 HA ALA A 38 83.337 -9.118 36.456 1.00 0.00 H new ATOM 0 HB1 ALA A 38 85.603 -10.172 36.494 1.00 0.00 H new ATOM 0 HB2 ALA A 38 84.810 -10.419 34.920 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.079 -9.183 35.093 1.00 0.00 H new ATOM 601 N SER A 39 85.461 -6.618 36.394 1.00 0.00 N ATOM 602 CA SER A 39 86.117 -5.618 37.281 1.00 0.00 C ATOM 603 C SER A 39 85.063 -4.739 37.953 1.00 0.00 C ATOM 604 O SER A 39 85.254 -4.269 39.058 1.00 0.00 O ATOM 605 CB SER A 39 87.046 -4.740 36.450 1.00 0.00 C ATOM 606 OG SER A 39 88.133 -5.528 35.975 1.00 0.00 O ATOM 0 H SER A 39 85.570 -6.451 35.394 1.00 0.00 H new ATOM 0 HA SER A 39 86.687 -6.143 38.048 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.502 -4.306 35.611 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.418 -3.911 37.052 1.00 0.00 H new ATOM 0 HG SER A 39 88.117 -5.551 34.995 1.00 0.00 H new ATOM 612 N CYS A 40 83.953 -4.515 37.306 1.00 0.00 N ATOM 613 CA CYS A 40 82.893 -3.669 37.928 1.00 0.00 C ATOM 614 C CYS A 40 82.226 -4.471 39.055 1.00 0.00 C ATOM 615 O CYS A 40 81.558 -5.452 38.815 1.00 0.00 O ATOM 616 CB CYS A 40 81.855 -3.300 36.859 1.00 0.00 C ATOM 617 SG CYS A 40 80.457 -2.441 37.622 1.00 0.00 S ATOM 0 H CYS A 40 83.733 -4.878 36.379 1.00 0.00 H new ATOM 0 HA CYS A 40 83.324 -2.755 38.337 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.312 -2.665 36.101 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.507 -4.200 36.353 1.00 0.00 H new ATOM 0 HG CYS A 40 79.346 -2.883 37.112 1.00 0.00 H new ATOM 622 N ASP A 41 82.423 -4.073 40.285 1.00 0.00 N ATOM 623 CA ASP A 41 81.820 -4.831 41.425 1.00 0.00 C ATOM 624 C ASP A 41 80.294 -4.858 41.312 1.00 0.00 C ATOM 625 O ASP A 41 79.657 -5.857 41.594 1.00 0.00 O ATOM 626 CB ASP A 41 82.203 -4.151 42.741 1.00 0.00 C ATOM 627 CG ASP A 41 83.694 -4.355 43.020 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.491 -3.635 42.438 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.012 -5.228 43.811 1.00 0.00 O ATOM 0 H ASP A 41 82.974 -3.257 40.551 1.00 0.00 H new ATOM 0 HA ASP A 41 82.196 -5.854 41.398 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.977 -3.086 42.689 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.612 -4.563 43.559 1.00 0.00 H new ATOM 634 N LYS A 42 79.698 -3.770 40.925 1.00 0.00 N ATOM 635 CA LYS A 42 78.211 -3.726 40.817 1.00 0.00 C ATOM 636 C LYS A 42 77.717 -4.775 39.824 1.00 0.00 C ATOM 637 O LYS A 42 76.695 -5.402 40.029 1.00 0.00 O ATOM 638 CB LYS A 42 77.783 -2.338 40.344 1.00 0.00 C ATOM 639 CG LYS A 42 78.030 -1.311 41.453 1.00 0.00 C ATOM 640 CD LYS A 42 77.876 0.101 40.883 1.00 0.00 C ATOM 641 CE LYS A 42 76.453 0.292 40.353 1.00 0.00 C ATOM 642 NZ LYS A 42 76.151 1.748 40.275 1.00 0.00 N ATOM 0 H LYS A 42 80.175 -2.903 40.677 1.00 0.00 H new ATOM 0 HA LYS A 42 77.778 -3.937 41.795 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.340 -2.061 39.449 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.727 -2.346 40.072 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.324 -1.464 42.269 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.030 -1.441 41.867 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.089 0.840 41.655 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.597 0.260 40.081 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.354 -0.165 39.369 1.00 0.00 H new ATOM 0 HE3 LYS A 42 75.738 -0.205 41.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 75.185 1.883 39.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.230 2.170 41.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.827 2.209 39.633 1.00 0.00 H new ATOM 656 N CYS A 43 78.412 -4.960 38.740 1.00 0.00 N ATOM 657 CA CYS A 43 77.952 -5.959 37.732 1.00 0.00 C ATOM 658 C CYS A 43 78.236 -7.383 38.232 1.00 0.00 C ATOM 659 O CYS A 43 77.458 -8.293 38.022 1.00 0.00 O ATOM 660 CB CYS A 43 78.717 -5.751 36.425 1.00 0.00 C ATOM 661 SG CYS A 43 78.162 -4.238 35.611 1.00 0.00 S ATOM 0 H CYS A 43 79.274 -4.468 38.506 1.00 0.00 H new ATOM 0 HA CYS A 43 76.881 -5.828 37.574 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.787 -5.693 36.627 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.563 -6.605 35.765 1.00 0.00 H new ATOM 0 HG CYS A 43 79.076 -3.832 34.780 1.00 0.00 H new ATOM 666 N GLN A 44 79.369 -7.581 38.849 1.00 0.00 N ATOM 667 CA GLN A 44 79.757 -8.943 39.326 1.00 0.00 C ATOM 668 C GLN A 44 79.060 -9.284 40.637 1.00 0.00 C ATOM 669 O GLN A 44 78.214 -10.149 40.689 1.00 0.00 O ATOM 670 CB GLN A 44 81.272 -8.959 39.550 1.00 0.00 C ATOM 671 CG GLN A 44 81.735 -10.350 39.981 1.00 0.00 C ATOM 672 CD GLN A 44 83.260 -10.335 40.132 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.006 -10.169 39.071 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.778 -10.462 41.225 1.00 0.00 N ATOM 0 H GLN A 44 80.052 -6.849 39.046 1.00 0.00 H new ATOM 0 HA GLN A 44 79.461 -9.679 38.578 1.00 0.00 H new ATOM 0 HB2 GLN A 44 81.784 -8.667 38.633 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.541 -8.228 40.312 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.265 -10.630 40.924 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.436 -11.094 39.242 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.197 -10.591 42.053 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.794 -10.439 41.314 1.00 0.00 H new ATOM 844 N PHE B 1 93.942 -14.252 22.009 1.00 0.00 N ATOM 845 CA PHE B 1 92.801 -13.916 22.904 1.00 0.00 C ATOM 846 C PHE B 1 92.110 -15.205 23.348 1.00 0.00 C ATOM 847 O PHE B 1 92.464 -15.802 24.346 1.00 0.00 O ATOM 848 CB PHE B 1 91.801 -13.043 22.142 1.00 0.00 C ATOM 849 CG PHE B 1 92.336 -11.635 22.038 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.123 -11.272 20.941 1.00 0.00 C ATOM 851 CD2 PHE B 1 92.031 -10.689 23.025 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.608 -9.964 20.829 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.519 -9.380 22.915 1.00 0.00 C ATOM 854 CZ PHE B 1 93.305 -9.018 21.815 1.00 0.00 C ATOM 0 H1 PHE B 1 94.144 -13.444 21.385 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.783 -14.464 22.583 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.698 -15.082 21.432 1.00 0.00 H new ATOM 0 HA PHE B 1 93.167 -13.377 23.778 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.630 -13.452 21.146 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.839 -13.041 22.655 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.357 -12.001 20.180 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.420 -10.968 23.871 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.216 -9.685 19.981 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.289 -8.651 23.678 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.678 -8.008 21.727 1.00 0.00 H new ATOM 866 N LEU B 2 91.117 -15.631 22.620 1.00 0.00 N ATOM 867 CA LEU B 2 90.390 -16.879 23.000 1.00 0.00 C ATOM 868 C LEU B 2 91.339 -18.078 22.965 1.00 0.00 C ATOM 869 O LEU B 2 91.290 -18.953 23.811 1.00 0.00 O ATOM 870 CB LEU B 2 89.252 -17.123 22.006 1.00 0.00 C ATOM 871 CG LEU B 2 88.143 -16.080 22.192 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.179 -16.146 21.000 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.366 -16.367 23.492 1.00 0.00 C ATOM 0 H LEU B 2 90.775 -15.170 21.777 1.00 0.00 H new ATOM 0 HA LEU B 2 89.994 -16.762 24.009 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.635 -17.077 20.987 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.845 -18.124 22.148 1.00 0.00 H new ATOM 0 HG LEU B 2 88.590 -15.088 22.252 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.389 -15.406 21.129 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.724 -15.938 20.079 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.738 -17.141 20.944 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.580 -15.622 23.618 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.920 -17.360 23.438 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.048 -16.322 24.341 1.00 0.00 H new ATOM 885 N ASP B 3 92.189 -18.129 21.982 1.00 0.00 N ATOM 886 CA ASP B 3 93.140 -19.273 21.857 1.00 0.00 C ATOM 887 C ASP B 3 94.122 -19.276 23.025 1.00 0.00 C ATOM 888 O ASP B 3 94.459 -20.312 23.558 1.00 0.00 O ATOM 889 CB ASP B 3 93.924 -19.131 20.553 1.00 0.00 C ATOM 890 CG ASP B 3 93.017 -19.447 19.366 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.004 -20.092 19.575 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.350 -19.034 18.270 1.00 0.00 O ATOM 0 H ASP B 3 92.269 -17.422 21.251 1.00 0.00 H new ATOM 0 HA ASP B 3 92.575 -20.205 21.862 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.317 -18.118 20.463 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.780 -19.806 20.558 1.00 0.00 H new ATOM 897 N GLY B 4 94.592 -18.133 23.421 1.00 0.00 N ATOM 898 CA GLY B 4 95.556 -18.096 24.552 1.00 0.00 C ATOM 899 C GLY B 4 94.840 -18.533 25.823 1.00 0.00 C ATOM 900 O GLY B 4 95.411 -19.158 26.698 1.00 0.00 O ATOM 0 H GLY B 4 94.354 -17.228 23.016 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.401 -18.755 24.349 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.958 -17.090 24.672 1.00 0.00 H new ATOM 904 N ILE B 5 93.587 -18.197 25.926 1.00 0.00 N ATOM 905 CA ILE B 5 92.796 -18.566 27.130 1.00 0.00 C ATOM 906 C ILE B 5 92.581 -20.079 27.202 1.00 0.00 C ATOM 907 O ILE B 5 92.623 -20.663 28.266 1.00 0.00 O ATOM 908 CB ILE B 5 91.438 -17.852 27.090 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.638 -16.361 27.380 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.504 -18.444 28.151 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.371 -15.583 27.008 1.00 0.00 C ATOM 0 H ILE B 5 93.070 -17.675 25.218 1.00 0.00 H new ATOM 0 HA ILE B 5 93.350 -18.256 28.016 1.00 0.00 H new ATOM 0 HB ILE B 5 90.996 -17.984 26.102 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.869 -16.215 28.435 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.488 -15.982 26.812 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.543 -17.932 28.116 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.357 -19.506 27.954 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.948 -18.316 29.138 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.520 -14.524 27.217 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.160 -15.718 25.947 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.531 -15.954 27.595 1.00 0.00 H new ATOM 923 N ASP B 6 92.328 -20.721 26.100 1.00 0.00 N ATOM 924 CA ASP B 6 92.083 -22.188 26.161 1.00 0.00 C ATOM 925 C ASP B 6 93.313 -22.875 26.739 1.00 0.00 C ATOM 926 O ASP B 6 93.214 -23.719 27.609 1.00 0.00 O ATOM 927 CB ASP B 6 91.820 -22.723 24.748 1.00 0.00 C ATOM 928 CG ASP B 6 91.594 -24.235 24.801 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.574 -24.954 24.912 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.451 -24.651 24.721 1.00 0.00 O ATOM 0 H ASP B 6 92.280 -20.303 25.171 1.00 0.00 H new ATOM 0 HA ASP B 6 91.217 -22.389 26.791 1.00 0.00 H new ATOM 0 HB2 ASP B 6 90.947 -22.230 24.319 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.666 -22.495 24.099 1.00 0.00 H new ATOM 935 N LYS B 7 94.473 -22.513 26.279 1.00 0.00 N ATOM 936 CA LYS B 7 95.710 -23.135 26.823 1.00 0.00 C ATOM 937 C LYS B 7 95.942 -22.668 28.260 1.00 0.00 C ATOM 938 O LYS B 7 96.351 -23.427 29.116 1.00 0.00 O ATOM 939 CB LYS B 7 96.907 -22.730 25.966 1.00 0.00 C ATOM 940 CG LYS B 7 96.797 -23.406 24.597 1.00 0.00 C ATOM 941 CD LYS B 7 97.992 -23.034 23.722 1.00 0.00 C ATOM 942 CE LYS B 7 97.842 -23.738 22.375 1.00 0.00 C ATOM 943 NZ LYS B 7 97.742 -25.210 22.601 1.00 0.00 N ATOM 0 H LYS B 7 94.620 -21.814 25.551 1.00 0.00 H new ATOM 0 HA LYS B 7 95.596 -24.219 26.809 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.936 -21.647 25.849 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.836 -23.022 26.456 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.752 -24.488 24.721 1.00 0.00 H new ATOM 0 HG3 LYS B 7 95.871 -23.102 24.108 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.038 -21.954 23.582 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.923 -23.333 24.204 1.00 0.00 H new ATOM 0 HE2 LYS B 7 96.953 -23.376 21.858 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.696 -23.513 21.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.978 -25.713 21.722 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.406 -25.492 23.350 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 96.772 -25.452 22.889 1.00 0.00 H new ATOM 957 N ALA B 8 95.704 -21.415 28.528 1.00 0.00 N ATOM 958 CA ALA B 8 95.928 -20.891 29.903 1.00 0.00 C ATOM 959 C ALA B 8 94.885 -21.461 30.866 1.00 0.00 C ATOM 960 O ALA B 8 95.141 -21.640 32.041 1.00 0.00 O ATOM 961 CB ALA B 8 95.842 -19.370 29.882 1.00 0.00 C ATOM 0 H ALA B 8 95.364 -20.730 27.853 1.00 0.00 H new ATOM 0 HA ALA B 8 96.917 -21.195 30.246 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.006 -18.982 30.888 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.603 -18.972 29.211 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.855 -19.066 29.532 1.00 0.00 H new ATOM 967 N GLN B 9 93.707 -21.737 30.380 1.00 0.00 N ATOM 968 CA GLN B 9 92.639 -22.282 31.268 1.00 0.00 C ATOM 969 C GLN B 9 93.096 -23.624 31.853 1.00 0.00 C ATOM 970 O GLN B 9 93.723 -24.419 31.183 1.00 0.00 O ATOM 971 CB GLN B 9 91.362 -22.484 30.443 1.00 0.00 C ATOM 972 CG GLN B 9 90.184 -22.807 31.368 1.00 0.00 C ATOM 973 CD GLN B 9 88.900 -22.933 30.544 1.00 0.00 C ATOM 974 OE1 GLN B 9 88.943 -23.003 29.332 1.00 0.00 O ATOM 975 NE2 GLN B 9 87.749 -22.962 31.156 1.00 0.00 N ATOM 0 H GLN B 9 93.436 -21.609 29.405 1.00 0.00 H new ATOM 0 HA GLN B 9 92.442 -21.586 32.084 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.146 -21.584 29.867 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.506 -23.294 29.728 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.375 -23.736 31.905 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.072 -22.023 32.117 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.711 -22.903 32.174 1.00 0.00 H new ATOM 0 HE22 GLN B 9 86.887 -23.043 30.617 1.00 0.00 H new ATOM 984 N GLU B 10 92.802 -23.871 33.106 1.00 0.00 N ATOM 985 CA GLU B 10 93.232 -25.157 33.731 1.00 0.00 C ATOM 986 C GLU B 10 92.568 -25.320 35.107 1.00 0.00 C ATOM 987 O GLU B 10 91.958 -24.408 35.632 1.00 0.00 O ATOM 988 CB GLU B 10 94.753 -25.150 33.895 1.00 0.00 C ATOM 989 CG GLU B 10 95.260 -26.562 34.212 1.00 0.00 C ATOM 990 CD GLU B 10 96.786 -26.586 34.086 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.322 -25.674 33.479 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.391 -27.509 34.604 1.00 0.00 O ATOM 0 H GLU B 10 92.285 -23.240 33.719 1.00 0.00 H new ATOM 0 HA GLU B 10 92.932 -25.988 33.092 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.222 -24.784 32.982 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.036 -24.466 34.695 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.961 -26.852 35.219 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.815 -27.284 33.528 1.00 0.00 H new ATOM 999 N GLU B 11 92.673 -26.486 35.683 1.00 0.00 N ATOM 1000 CA GLU B 11 92.046 -26.745 37.013 1.00 0.00 C ATOM 1001 C GLU B 11 92.443 -25.663 38.015 1.00 0.00 C ATOM 1002 O GLU B 11 93.487 -25.052 37.915 1.00 0.00 O ATOM 1003 CB GLU B 11 92.517 -28.099 37.530 1.00 0.00 C ATOM 1004 CG GLU B 11 91.931 -29.204 36.660 1.00 0.00 C ATOM 1005 CD GLU B 11 92.419 -30.559 37.177 1.00 0.00 C ATOM 1006 OE1 GLU B 11 91.823 -31.062 38.118 1.00 0.00 O ATOM 1007 OE2 GLU B 11 93.384 -31.066 36.627 1.00 0.00 O ATOM 0 H GLU B 11 93.173 -27.281 35.285 1.00 0.00 H new ATOM 0 HA GLU B 11 90.962 -26.738 36.898 1.00 0.00 H new ATOM 0 HB2 GLU B 11 93.606 -28.148 37.515 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.206 -28.233 38.566 1.00 0.00 H new ATOM 0 HG2 GLU B 11 90.842 -29.163 36.682 1.00 0.00 H new ATOM 0 HG3 GLU B 11 92.234 -29.066 35.622 1.00 0.00 H new ATOM 1014 N HIS B 12 91.602 -25.423 38.980 1.00 0.00 N ATOM 1015 CA HIS B 12 91.900 -24.380 39.994 1.00 0.00 C ATOM 1016 C HIS B 12 93.093 -24.806 40.845 1.00 0.00 C ATOM 1017 O HIS B 12 92.939 -25.280 41.953 1.00 0.00 O ATOM 1018 CB HIS B 12 90.678 -24.194 40.887 1.00 0.00 C ATOM 1019 CG HIS B 12 91.002 -23.262 42.024 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.896 -21.882 41.913 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.384 -23.504 43.319 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.195 -21.351 43.115 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.500 -22.299 44.002 1.00 0.00 N ATOM 0 H HIS B 12 90.715 -25.909 39.109 1.00 0.00 H new ATOM 0 HA HIS B 12 92.140 -23.443 39.492 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.850 -23.793 40.303 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.354 -25.158 41.279 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.638 -21.364 41.073 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.567 -24.481 43.743 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.188 -20.293 43.332 1.00 0.00 H new ATOM 1031 N GLU B 13 94.284 -24.624 40.340 1.00 0.00 N ATOM 1032 CA GLU B 13 95.502 -25.003 41.114 1.00 0.00 C ATOM 1033 C GLU B 13 96.111 -23.760 41.764 1.00 0.00 C ATOM 1034 O GLU B 13 95.471 -22.735 41.896 1.00 0.00 O ATOM 1035 CB GLU B 13 96.521 -25.631 40.173 1.00 0.00 C ATOM 1036 CG GLU B 13 95.943 -26.933 39.630 1.00 0.00 C ATOM 1037 CD GLU B 13 96.949 -27.585 38.687 1.00 0.00 C ATOM 1038 OE1 GLU B 13 98.008 -27.014 38.496 1.00 0.00 O ATOM 1039 OE2 GLU B 13 96.641 -28.645 38.166 1.00 0.00 O ATOM 0 H GLU B 13 94.466 -24.226 39.419 1.00 0.00 H new ATOM 0 HA GLU B 13 95.228 -25.717 41.891 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.751 -24.949 39.355 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.455 -25.823 40.700 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.708 -27.609 40.452 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.009 -26.736 39.103 1.00 0.00 H new ATOM 1046 N LYS B 14 97.348 -23.852 42.178 1.00 0.00 N ATOM 1047 CA LYS B 14 98.023 -22.694 42.832 1.00 0.00 C ATOM 1048 C LYS B 14 98.288 -21.604 41.788 1.00 0.00 C ATOM 1049 O LYS B 14 98.375 -20.435 42.102 1.00 0.00 O ATOM 1050 CB LYS B 14 99.357 -23.152 43.428 1.00 0.00 C ATOM 1051 CG LYS B 14 99.129 -24.253 44.474 1.00 0.00 C ATOM 1052 CD LYS B 14 98.460 -23.679 45.731 1.00 0.00 C ATOM 1053 CE LYS B 14 98.546 -24.712 46.856 1.00 0.00 C ATOM 1054 NZ LYS B 14 97.858 -24.186 48.071 1.00 0.00 N ATOM 0 H LYS B 14 97.924 -24.689 42.089 1.00 0.00 H new ATOM 0 HA LYS B 14 97.383 -22.300 43.622 1.00 0.00 H new ATOM 0 HB2 LYS B 14 100.007 -23.524 42.636 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.866 -22.305 43.888 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.504 -25.040 44.051 1.00 0.00 H new ATOM 0 HG3 LYS B 14 100.082 -24.711 44.740 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.953 -22.754 46.031 1.00 0.00 H new ATOM 0 HD3 LYS B 14 97.418 -23.433 45.524 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.084 -25.648 46.541 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.589 -24.932 47.083 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 97.917 -24.889 48.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 98.317 -23.304 48.376 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 96.859 -23.998 47.850 1.00 0.00 H new ATOM 1068 N TYR B 15 98.427 -21.984 40.548 1.00 0.00 N ATOM 1069 CA TYR B 15 98.700 -20.983 39.478 1.00 0.00 C ATOM 1070 C TYR B 15 97.557 -19.966 39.439 1.00 0.00 C ATOM 1071 O TYR B 15 97.773 -18.791 39.217 1.00 0.00 O ATOM 1072 CB TYR B 15 98.802 -21.700 38.125 1.00 0.00 C ATOM 1073 CG TYR B 15 100.172 -22.323 37.980 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.278 -21.518 37.699 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.329 -23.707 38.119 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.546 -22.096 37.560 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.595 -24.286 37.981 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.704 -23.481 37.701 1.00 0.00 C ATOM 1079 OH TYR B 15 103.951 -24.054 37.566 1.00 0.00 O ATOM 0 H TYR B 15 98.363 -22.950 40.228 1.00 0.00 H new ATOM 0 HA TYR B 15 99.638 -20.468 39.684 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.033 -22.469 38.051 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.626 -20.993 37.314 1.00 0.00 H new ATOM 0 HD1 TYR B 15 101.156 -20.451 37.589 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.472 -24.328 38.333 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.402 -21.474 37.344 1.00 0.00 H new ATOM 0 HE2 TYR B 15 101.716 -25.354 38.091 1.00 0.00 H new ATOM 0 HH TYR B 15 103.882 -25.023 37.695 1.00 0.00 H new ATOM 1089 N HIS B 16 96.344 -20.393 39.654 1.00 0.00 N ATOM 1090 CA HIS B 16 95.215 -19.417 39.632 1.00 0.00 C ATOM 1091 C HIS B 16 95.442 -18.348 40.713 1.00 0.00 C ATOM 1092 O HIS B 16 95.178 -17.184 40.502 1.00 0.00 O ATOM 1093 CB HIS B 16 93.885 -20.133 39.891 1.00 0.00 C ATOM 1094 CG HIS B 16 93.382 -20.779 38.633 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.067 -21.199 38.508 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.991 -21.082 37.439 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.927 -21.727 37.277 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.069 -21.680 36.590 1.00 0.00 N ATOM 0 H HIS B 16 96.086 -21.362 39.842 1.00 0.00 H new ATOM 0 HA HIS B 16 95.175 -18.946 38.650 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.016 -20.887 40.667 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.148 -19.421 40.261 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.025 -20.886 37.198 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.004 -22.137 36.894 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.231 -22.013 35.640 1.00 0.00 H new ATOM 1106 N SER B 17 95.918 -18.728 41.873 1.00 0.00 N ATOM 1107 CA SER B 17 96.155 -17.716 42.948 1.00 0.00 C ATOM 1108 C SER B 17 97.180 -16.700 42.448 1.00 0.00 C ATOM 1109 O SER B 17 97.049 -15.509 42.654 1.00 0.00 O ATOM 1110 CB SER B 17 96.700 -18.413 44.197 1.00 0.00 C ATOM 1111 OG SER B 17 97.982 -18.963 43.905 1.00 0.00 O ATOM 0 H SER B 17 96.151 -19.689 42.121 1.00 0.00 H new ATOM 0 HA SER B 17 95.220 -17.213 43.196 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.775 -17.703 45.021 1.00 0.00 H new ATOM 0 HB3 SER B 17 96.017 -19.201 44.516 1.00 0.00 H new ATOM 0 HG SER B 17 97.879 -19.736 43.311 1.00 0.00 H new ATOM 1117 N ASN B 18 98.200 -17.171 41.775 1.00 0.00 N ATOM 1118 CA ASN B 18 99.249 -16.253 41.228 1.00 0.00 C ATOM 1119 C ASN B 18 98.936 -15.939 39.761 1.00 0.00 C ATOM 1120 O ASN B 18 99.434 -16.588 38.860 1.00 0.00 O ATOM 1121 CB ASN B 18 100.619 -16.932 41.314 1.00 0.00 C ATOM 1122 CG ASN B 18 100.947 -17.241 42.776 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.921 -16.367 43.617 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.265 -18.460 43.113 1.00 0.00 N ATOM 0 H ASN B 18 98.353 -18.160 41.579 1.00 0.00 H new ATOM 0 HA ASN B 18 99.260 -15.330 41.808 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.618 -17.852 40.729 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.385 -16.284 40.888 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.492 -18.678 44.083 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.287 -19.195 42.406 1.00 0.00 H new ATOM 1131 N TRP B 19 98.112 -14.958 39.511 1.00 0.00 N ATOM 1132 CA TRP B 19 97.767 -14.614 38.100 1.00 0.00 C ATOM 1133 C TRP B 19 98.973 -13.991 37.385 1.00 0.00 C ATOM 1134 O TRP B 19 99.098 -14.082 36.181 1.00 0.00 O ATOM 1135 CB TRP B 19 96.578 -13.650 38.067 1.00 0.00 C ATOM 1136 CG TRP B 19 96.976 -12.302 38.567 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.684 -11.821 39.796 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.707 -11.245 37.873 1.00 0.00 C ATOM 1139 NE1 TRP B 19 97.191 -10.540 39.906 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.829 -10.137 38.745 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.271 -11.139 36.588 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.485 -8.969 38.355 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.932 -9.965 36.195 1.00 0.00 C ATOM 1144 CH2 TRP B 19 99.039 -8.883 37.076 1.00 0.00 C ATOM 0 H TRP B 19 97.663 -14.380 40.221 1.00 0.00 H new ATOM 0 HA TRP B 19 97.493 -15.531 37.579 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.199 -13.568 37.048 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.767 -14.045 38.678 1.00 0.00 H new ATOM 0 HD1 TRP B 19 96.143 -12.351 40.566 1.00 0.00 H new ATOM 0 HE1 TRP B 19 97.106 -9.961 40.742 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.195 -11.967 35.899 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.564 -8.136 39.038 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.361 -9.896 35.206 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.549 -7.983 36.767 1.00 0.00 H new ATOM 1155 N ARG B 20 99.863 -13.369 38.108 1.00 0.00 N ATOM 1156 CA ARG B 20 101.047 -12.742 37.446 1.00 0.00 C ATOM 1157 C ARG B 20 101.868 -13.802 36.711 1.00 0.00 C ATOM 1158 O ARG B 20 102.348 -13.576 35.619 1.00 0.00 O ATOM 1159 CB ARG B 20 101.931 -12.096 38.513 1.00 0.00 C ATOM 1160 CG ARG B 20 101.239 -10.863 39.080 1.00 0.00 C ATOM 1161 CD ARG B 20 102.137 -10.243 40.151 1.00 0.00 C ATOM 1162 NE ARG B 20 101.479 -9.034 40.719 1.00 0.00 N ATOM 1163 CZ ARG B 20 101.940 -8.498 41.812 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.975 -9.018 42.408 1.00 0.00 N ATOM 1165 NH2 ARG B 20 101.365 -7.441 42.308 1.00 0.00 N ATOM 0 H ARG B 20 99.825 -13.267 39.122 1.00 0.00 H new ATOM 0 HA ARG B 20 100.698 -11.996 36.732 1.00 0.00 H new ATOM 0 HB2 ARG B 20 102.134 -12.810 39.311 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.893 -11.818 38.082 1.00 0.00 H new ATOM 0 HG2 ARG B 20 101.044 -10.141 38.287 1.00 0.00 H new ATOM 0 HG3 ARG B 20 100.274 -11.135 39.508 1.00 0.00 H new ATOM 0 HD2 ARG B 20 102.331 -10.968 40.941 1.00 0.00 H new ATOM 0 HD3 ARG B 20 103.102 -9.975 39.720 1.00 0.00 H new ATOM 0 HE ARG B 20 100.669 -8.627 40.253 1.00 0.00 H new ATOM 0 HH11 ARG B 20 103.425 -9.846 42.018 1.00 0.00 H new ATOM 0 HH12 ARG B 20 103.335 -8.597 43.264 1.00 0.00 H new ATOM 0 HH21 ARG B 20 100.555 -7.034 41.840 1.00 0.00 H new ATOM 0 HH22 ARG B 20 101.724 -7.019 43.164 1.00 0.00 H new ATOM 1179 N ALA B 21 102.044 -14.953 37.292 1.00 0.00 N ATOM 1180 CA ALA B 21 102.842 -16.004 36.605 1.00 0.00 C ATOM 1181 C ALA B 21 102.167 -16.372 35.278 1.00 0.00 C ATOM 1182 O ALA B 21 102.823 -16.587 34.278 1.00 0.00 O ATOM 1183 CB ALA B 21 102.944 -17.238 37.507 1.00 0.00 C ATOM 0 H ALA B 21 101.673 -15.211 38.206 1.00 0.00 H new ATOM 0 HA ALA B 21 103.845 -15.630 36.401 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.529 -18.009 37.004 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.432 -16.965 38.443 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.945 -17.619 37.716 1.00 0.00 H new ATOM 1189 N MET B 22 100.860 -16.459 35.260 1.00 0.00 N ATOM 1190 CA MET B 22 100.148 -16.822 33.994 1.00 0.00 C ATOM 1191 C MET B 22 100.450 -15.788 32.905 1.00 0.00 C ATOM 1192 O MET B 22 100.769 -16.131 31.786 1.00 0.00 O ATOM 1193 CB MET B 22 98.635 -16.853 34.239 1.00 0.00 C ATOM 1194 CG MET B 22 97.930 -17.471 33.019 1.00 0.00 C ATOM 1195 SD MET B 22 96.148 -17.165 33.119 1.00 0.00 S ATOM 1196 CE MET B 22 95.890 -17.928 34.736 1.00 0.00 C ATOM 0 H MET B 22 100.256 -16.295 36.065 1.00 0.00 H new ATOM 0 HA MET B 22 100.492 -17.805 33.671 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.413 -17.434 35.134 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.263 -15.843 34.414 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.331 -17.042 32.100 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.122 -18.543 32.981 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.859 -18.274 34.815 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.567 -18.775 34.851 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.088 -17.196 35.519 1.00 0.00 H new ATOM 1206 N ALA B 23 100.349 -14.525 33.228 1.00 0.00 N ATOM 1207 CA ALA B 23 100.622 -13.463 32.210 1.00 0.00 C ATOM 1208 C ALA B 23 102.087 -13.539 31.769 1.00 0.00 C ATOM 1209 O ALA B 23 102.407 -13.400 30.605 1.00 0.00 O ATOM 1210 CB ALA B 23 100.350 -12.093 32.835 1.00 0.00 C ATOM 0 H ALA B 23 100.089 -14.181 34.153 1.00 0.00 H new ATOM 0 HA ALA B 23 99.977 -13.610 31.344 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.546 -11.312 32.100 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.309 -12.038 33.153 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.001 -11.951 33.698 1.00 0.00 H new ATOM 1216 N SER B 24 102.977 -13.758 32.693 1.00 0.00 N ATOM 1217 CA SER B 24 104.422 -13.848 32.340 1.00 0.00 C ATOM 1218 C SER B 24 104.666 -15.117 31.521 1.00 0.00 C ATOM 1219 O SER B 24 105.442 -15.127 30.585 1.00 0.00 O ATOM 1220 CB SER B 24 105.259 -13.894 33.618 1.00 0.00 C ATOM 1221 OG SER B 24 106.636 -13.864 33.275 1.00 0.00 O ATOM 0 H SER B 24 102.766 -13.879 33.684 1.00 0.00 H new ATOM 0 HA SER B 24 104.709 -12.975 31.753 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.013 -13.047 34.259 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.032 -14.798 34.183 1.00 0.00 H new ATOM 0 HG SER B 24 107.177 -13.892 34.092 1.00 0.00 H new ATOM 1227 N ASP B 25 104.024 -16.191 31.873 1.00 0.00 N ATOM 1228 CA ASP B 25 104.235 -17.453 31.113 1.00 0.00 C ATOM 1229 C ASP B 25 103.791 -17.272 29.660 1.00 0.00 C ATOM 1230 O ASP B 25 104.442 -17.742 28.747 1.00 0.00 O ATOM 1231 CB ASP B 25 103.423 -18.577 31.753 1.00 0.00 C ATOM 1232 CG ASP B 25 104.077 -18.984 33.071 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.297 -19.030 33.115 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.348 -19.237 34.017 1.00 0.00 O ATOM 0 H ASP B 25 103.365 -16.252 32.649 1.00 0.00 H new ATOM 0 HA ASP B 25 105.295 -17.706 31.135 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.399 -18.247 31.928 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.371 -19.433 31.080 1.00 0.00 H new ATOM 1239 N PHE B 26 102.695 -16.590 29.436 1.00 0.00 N ATOM 1240 CA PHE B 26 102.207 -16.371 28.035 1.00 0.00 C ATOM 1241 C PHE B 26 102.562 -14.958 27.568 1.00 0.00 C ATOM 1242 O PHE B 26 102.317 -14.595 26.435 1.00 0.00 O ATOM 1243 CB PHE B 26 100.692 -16.536 27.992 1.00 0.00 C ATOM 1244 CG PHE B 26 100.340 -17.992 28.162 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.161 -18.522 29.444 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.202 -18.820 27.038 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.845 -19.876 29.606 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.884 -20.177 27.201 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.705 -20.703 28.484 1.00 0.00 C ATOM 0 H PHE B 26 102.114 -16.174 30.164 1.00 0.00 H new ATOM 0 HA PHE B 26 102.683 -17.101 27.380 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.228 -15.944 28.781 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.302 -16.165 27.044 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.267 -17.886 30.310 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.341 -18.413 26.047 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.709 -20.283 30.597 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.778 -20.815 26.336 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.459 -21.747 28.610 1.00 0.00 H new ATOM 1259 N ASN B 27 103.133 -14.162 28.431 1.00 0.00 N ATOM 1260 CA ASN B 27 103.509 -12.771 28.043 1.00 0.00 C ATOM 1261 C ASN B 27 102.286 -12.013 27.516 1.00 0.00 C ATOM 1262 O ASN B 27 102.347 -11.377 26.483 1.00 0.00 O ATOM 1263 CB ASN B 27 104.584 -12.808 26.956 1.00 0.00 C ATOM 1264 CG ASN B 27 105.842 -13.482 27.495 1.00 0.00 C ATOM 1265 OD1 ASN B 27 105.770 -14.381 28.315 1.00 0.00 O ATOM 1266 ND2 ASN B 27 107.003 -13.082 27.060 1.00 0.00 N ATOM 0 H ASN B 27 103.357 -14.416 29.393 1.00 0.00 H new ATOM 0 HA ASN B 27 103.894 -12.259 28.925 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.215 -13.350 26.085 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.816 -11.795 26.627 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.856 -13.521 27.406 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.059 -12.329 26.374 1.00 0.00 H new ATOM 1273 N LEU B 28 101.182 -12.057 28.228 1.00 0.00 N ATOM 1274 CA LEU B 28 99.950 -11.324 27.784 1.00 0.00 C ATOM 1275 C LEU B 28 99.561 -10.294 28.862 1.00 0.00 C ATOM 1276 O LEU B 28 99.724 -10.557 30.037 1.00 0.00 O ATOM 1277 CB LEU B 28 98.794 -12.316 27.644 1.00 0.00 C ATOM 1278 CG LEU B 28 99.108 -13.350 26.554 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.213 -14.573 26.750 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.846 -12.754 25.163 1.00 0.00 C ATOM 0 H LEU B 28 101.081 -12.572 29.103 1.00 0.00 H new ATOM 0 HA LEU B 28 100.147 -10.831 26.832 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.622 -12.821 28.595 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.876 -11.783 27.395 1.00 0.00 H new ATOM 0 HG LEU B 28 100.157 -13.635 26.627 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.432 -15.311 25.978 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.401 -15.008 27.732 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.167 -14.274 26.680 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.073 -13.498 24.400 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.799 -12.461 25.084 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.480 -11.879 25.017 1.00 0.00 H new ATOM 1292 N PRO B 29 99.027 -9.145 28.492 1.00 0.00 N ATOM 1293 CA PRO B 29 98.599 -8.123 29.492 1.00 0.00 C ATOM 1294 C PRO B 29 97.753 -8.751 30.626 1.00 0.00 C ATOM 1295 O PRO B 29 96.912 -9.590 30.367 1.00 0.00 O ATOM 1296 CB PRO B 29 97.743 -7.148 28.667 1.00 0.00 C ATOM 1297 CG PRO B 29 98.278 -7.245 27.275 1.00 0.00 C ATOM 1298 CD PRO B 29 98.793 -8.681 27.109 1.00 0.00 C ATOM 0 HA PRO B 29 99.448 -7.649 29.985 1.00 0.00 H new ATOM 0 HB2 PRO B 29 96.688 -7.420 28.704 1.00 0.00 H new ATOM 0 HB3 PRO B 29 97.823 -6.131 29.051 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.501 -7.024 26.544 1.00 0.00 H new ATOM 0 HG3 PRO B 29 99.080 -6.524 27.116 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.064 -9.309 26.596 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.709 -8.710 26.519 1.00 0.00 H new ATOM 1306 N PRO B 30 97.954 -8.348 31.865 1.00 0.00 N ATOM 1307 CA PRO B 30 97.169 -8.886 33.016 1.00 0.00 C ATOM 1308 C PRO B 30 95.682 -9.034 32.670 1.00 0.00 C ATOM 1309 O PRO B 30 94.933 -9.714 33.341 1.00 0.00 O ATOM 1310 CB PRO B 30 97.347 -7.809 34.095 1.00 0.00 C ATOM 1311 CG PRO B 30 98.687 -7.197 33.823 1.00 0.00 C ATOM 1312 CD PRO B 30 98.942 -7.344 32.312 1.00 0.00 C ATOM 0 HA PRO B 30 97.506 -9.878 33.317 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.555 -7.062 34.040 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.308 -8.243 35.094 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.700 -6.148 34.117 1.00 0.00 H new ATOM 0 HG3 PRO B 30 99.466 -7.699 34.398 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.806 -6.395 31.793 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.961 -7.674 32.112 1.00 0.00 H new ATOM 1320 N VAL B 31 95.259 -8.371 31.636 1.00 0.00 N ATOM 1321 CA VAL B 31 93.826 -8.414 31.234 1.00 0.00 C ATOM 1322 C VAL B 31 93.388 -9.854 30.936 1.00 0.00 C ATOM 1323 O VAL B 31 92.368 -10.311 31.419 1.00 0.00 O ATOM 1324 CB VAL B 31 93.668 -7.551 29.975 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.272 -7.724 29.373 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.906 -6.077 30.324 1.00 0.00 C ATOM 0 H VAL B 31 95.852 -7.792 31.042 1.00 0.00 H new ATOM 0 HA VAL B 31 93.202 -8.036 32.044 1.00 0.00 H new ATOM 0 HB VAL B 31 94.404 -7.873 29.238 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.181 -7.104 28.481 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.118 -8.769 29.105 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.521 -7.422 30.103 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.793 -5.468 29.427 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.181 -5.759 31.073 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.914 -5.955 30.721 1.00 0.00 H new ATOM 1336 N VAL B 32 94.135 -10.570 30.143 1.00 0.00 N ATOM 1337 CA VAL B 32 93.738 -11.973 29.818 1.00 0.00 C ATOM 1338 C VAL B 32 93.809 -12.828 31.084 1.00 0.00 C ATOM 1339 O VAL B 32 92.936 -13.632 31.352 1.00 0.00 O ATOM 1340 CB VAL B 32 94.672 -12.543 28.743 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.405 -14.042 28.572 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.395 -11.834 27.418 1.00 0.00 C ATOM 0 H VAL B 32 94.999 -10.249 29.707 1.00 0.00 H new ATOM 0 HA VAL B 32 92.717 -11.982 29.436 1.00 0.00 H new ATOM 0 HB VAL B 32 95.709 -12.389 29.042 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.070 -14.445 27.808 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.586 -14.554 29.517 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.369 -14.195 28.269 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.055 -12.233 26.647 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.357 -11.998 27.128 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.575 -10.765 27.533 1.00 0.00 H new ATOM 1352 N ALA B 33 94.841 -12.664 31.858 1.00 0.00 N ATOM 1353 CA ALA B 33 94.969 -13.461 33.105 1.00 0.00 C ATOM 1354 C ALA B 33 93.836 -13.097 34.073 1.00 0.00 C ATOM 1355 O ALA B 33 93.205 -13.958 34.656 1.00 0.00 O ATOM 1356 CB ALA B 33 96.331 -13.169 33.745 1.00 0.00 C ATOM 0 H ALA B 33 95.604 -12.010 31.680 1.00 0.00 H new ATOM 0 HA ALA B 33 94.899 -14.524 32.875 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.434 -13.750 34.662 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.125 -13.442 33.051 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.403 -12.107 33.979 1.00 0.00 H new ATOM 1362 N LYS B 34 93.565 -11.831 34.245 1.00 0.00 N ATOM 1363 CA LYS B 34 92.471 -11.430 35.171 1.00 0.00 C ATOM 1364 C LYS B 34 91.129 -11.959 34.668 1.00 0.00 C ATOM 1365 O LYS B 34 90.300 -12.397 35.440 1.00 0.00 O ATOM 1366 CB LYS B 34 92.427 -9.909 35.312 1.00 0.00 C ATOM 1367 CG LYS B 34 93.638 -9.447 36.136 1.00 0.00 C ATOM 1368 CD LYS B 34 93.612 -7.926 36.287 1.00 0.00 C ATOM 1369 CE LYS B 34 94.809 -7.466 37.118 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.951 -5.994 36.963 1.00 0.00 N ATOM 0 H LYS B 34 94.052 -11.061 33.786 1.00 0.00 H new ATOM 0 HA LYS B 34 92.668 -11.863 36.152 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.440 -9.439 34.328 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.501 -9.603 35.799 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.623 -9.919 37.118 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.562 -9.757 35.647 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.637 -7.454 35.305 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.684 -7.615 36.767 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.664 -7.725 38.167 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.717 -7.971 36.788 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 95.762 -5.663 37.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 95.105 -5.764 35.961 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 94.085 -5.525 37.297 1.00 0.00 H new ATOM 1384 N GLU B 35 90.892 -11.916 33.386 1.00 0.00 N ATOM 1385 CA GLU B 35 89.586 -12.415 32.875 1.00 0.00 C ATOM 1386 C GLU B 35 89.437 -13.898 33.222 1.00 0.00 C ATOM 1387 O GLU B 35 88.377 -14.352 33.601 1.00 0.00 O ATOM 1388 CB GLU B 35 89.518 -12.226 31.355 1.00 0.00 C ATOM 1389 CG GLU B 35 88.090 -12.497 30.857 1.00 0.00 C ATOM 1390 CD GLU B 35 87.850 -14.004 30.742 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.650 -14.665 30.098 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.872 -14.470 31.299 1.00 0.00 O ATOM 0 H GLU B 35 91.537 -11.562 32.679 1.00 0.00 H new ATOM 0 HA GLU B 35 88.776 -11.853 33.339 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.818 -11.211 31.092 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.218 -12.902 30.864 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.367 -12.057 31.544 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.938 -12.022 29.888 1.00 0.00 H new ATOM 1399 N ILE B 36 90.487 -14.658 33.101 1.00 0.00 N ATOM 1400 CA ILE B 36 90.387 -16.105 33.430 1.00 0.00 C ATOM 1401 C ILE B 36 90.114 -16.262 34.926 1.00 0.00 C ATOM 1402 O ILE B 36 89.332 -17.091 35.346 1.00 0.00 O ATOM 1403 CB ILE B 36 91.697 -16.799 33.066 1.00 0.00 C ATOM 1404 CG1 ILE B 36 91.843 -16.807 31.548 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.687 -18.238 33.587 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.259 -17.242 31.167 1.00 0.00 C ATOM 0 H ILE B 36 91.406 -14.342 32.790 1.00 0.00 H new ATOM 0 HA ILE B 36 89.573 -16.558 32.864 1.00 0.00 H new ATOM 0 HB ILE B 36 92.533 -16.265 33.519 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.113 -17.485 31.107 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.638 -15.814 31.148 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.625 -18.727 33.323 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.573 -18.232 34.671 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.856 -18.782 33.138 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.359 -17.246 30.082 1.00 0.00 H new ATOM 0 HD12 ILE B 36 93.981 -16.546 31.595 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.448 -18.244 31.553 1.00 0.00 H new ATOM 1418 N VAL B 37 90.761 -15.469 35.726 1.00 0.00 N ATOM 1419 CA VAL B 37 90.556 -15.546 37.197 1.00 0.00 C ATOM 1420 C VAL B 37 89.108 -15.185 37.513 1.00 0.00 C ATOM 1421 O VAL B 37 88.474 -15.778 38.366 1.00 0.00 O ATOM 1422 CB VAL B 37 91.496 -14.548 37.868 1.00 0.00 C ATOM 1423 CG1 VAL B 37 91.219 -14.494 39.371 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.948 -14.967 37.626 1.00 0.00 C ATOM 0 H VAL B 37 91.431 -14.762 35.422 1.00 0.00 H new ATOM 0 HA VAL B 37 90.765 -16.552 37.562 1.00 0.00 H new ATOM 0 HB VAL B 37 91.328 -13.559 37.441 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.895 -13.779 39.840 1.00 0.00 H new ATOM 0 HG12 VAL B 37 90.188 -14.183 39.540 1.00 0.00 H new ATOM 0 HG13 VAL B 37 91.376 -15.481 39.806 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.617 -14.253 38.106 1.00 0.00 H new ATOM 0 HG22 VAL B 37 93.115 -15.959 38.045 1.00 0.00 H new ATOM 0 HG23 VAL B 37 93.147 -14.987 36.555 1.00 0.00 H new ATOM 1434 N ALA B 38 88.590 -14.200 36.836 1.00 0.00 N ATOM 1435 CA ALA B 38 87.183 -13.766 37.078 1.00 0.00 C ATOM 1436 C ALA B 38 86.209 -14.851 36.619 1.00 0.00 C ATOM 1437 O ALA B 38 85.126 -14.987 37.148 1.00 0.00 O ATOM 1438 CB ALA B 38 86.899 -12.489 36.287 1.00 0.00 C ATOM 0 H ALA B 38 89.085 -13.671 36.118 1.00 0.00 H new ATOM 0 HA ALA B 38 87.052 -13.586 38.145 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.871 -12.172 36.464 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.582 -11.702 36.609 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.042 -12.681 35.223 1.00 0.00 H new ATOM 1444 N SER B 39 86.562 -15.611 35.621 1.00 0.00 N ATOM 1445 CA SER B 39 85.622 -16.655 35.135 1.00 0.00 C ATOM 1446 C SER B 39 85.586 -17.814 36.123 1.00 0.00 C ATOM 1447 O SER B 39 84.587 -18.491 36.266 1.00 0.00 O ATOM 1448 CB SER B 39 86.080 -17.169 33.779 1.00 0.00 C ATOM 1449 OG SER B 39 85.904 -16.144 32.811 1.00 0.00 O ATOM 0 H SER B 39 87.452 -15.555 35.126 1.00 0.00 H new ATOM 0 HA SER B 39 84.626 -16.221 35.043 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.127 -17.468 33.824 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.508 -18.053 33.499 1.00 0.00 H new ATOM 0 HG SER B 39 86.759 -15.690 32.656 1.00 0.00 H new ATOM 1455 N CYS B 40 86.672 -18.057 36.804 1.00 0.00 N ATOM 1456 CA CYS B 40 86.700 -19.179 37.782 1.00 0.00 C ATOM 1457 C CYS B 40 85.881 -18.775 39.014 1.00 0.00 C ATOM 1458 O CYS B 40 86.249 -17.888 39.758 1.00 0.00 O ATOM 1459 CB CYS B 40 88.157 -19.472 38.171 1.00 0.00 C ATOM 1460 SG CYS B 40 88.209 -20.723 39.484 1.00 0.00 S ATOM 0 H CYS B 40 87.540 -17.527 36.725 1.00 0.00 H new ATOM 0 HA CYS B 40 86.269 -20.080 37.346 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.711 -19.823 37.300 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.643 -18.557 38.510 1.00 0.00 H new ATOM 0 HG CYS B 40 89.064 -20.362 40.394 1.00 0.00 H new ATOM 1465 N ASP B 41 84.755 -19.409 39.221 1.00 0.00 N ATOM 1466 CA ASP B 41 83.887 -19.056 40.386 1.00 0.00 C ATOM 1467 C ASP B 41 84.651 -19.260 41.693 1.00 0.00 C ATOM 1468 O ASP B 41 84.538 -18.481 42.617 1.00 0.00 O ATOM 1469 CB ASP B 41 82.650 -19.952 40.380 1.00 0.00 C ATOM 1470 CG ASP B 41 81.749 -19.566 39.207 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.078 -19.934 38.093 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.751 -18.906 39.441 1.00 0.00 O ATOM 0 H ASP B 41 84.397 -20.160 38.630 1.00 0.00 H new ATOM 0 HA ASP B 41 83.591 -18.010 40.307 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.945 -20.998 40.297 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.107 -19.848 41.319 1.00 0.00 H new ATOM 1477 N LYS B 42 85.410 -20.307 41.790 1.00 0.00 N ATOM 1478 CA LYS B 42 86.158 -20.558 43.053 1.00 0.00 C ATOM 1479 C LYS B 42 87.107 -19.394 43.343 1.00 0.00 C ATOM 1480 O LYS B 42 87.269 -18.982 44.474 1.00 0.00 O ATOM 1481 CB LYS B 42 86.959 -21.852 42.920 1.00 0.00 C ATOM 1482 CG LYS B 42 86.000 -23.044 42.914 1.00 0.00 C ATOM 1483 CD LYS B 42 86.757 -24.314 42.522 1.00 0.00 C ATOM 1484 CE LYS B 42 87.856 -24.599 43.547 1.00 0.00 C ATOM 1485 NZ LYS B 42 88.275 -26.017 43.420 1.00 0.00 N ATOM 0 H LYS B 42 85.548 -21.000 41.055 1.00 0.00 H new ATOM 0 HA LYS B 42 85.449 -20.649 43.876 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.545 -21.837 42.001 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.664 -21.943 43.746 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.551 -23.167 43.900 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.185 -22.864 42.213 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.068 -25.157 42.469 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.194 -24.197 41.530 1.00 0.00 H new ATOM 0 HE2 LYS B 42 88.707 -23.938 43.381 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.491 -24.402 44.555 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 89.023 -26.221 44.113 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.459 -26.637 43.598 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 88.637 -26.187 42.460 1.00 0.00 H new ATOM 1499 N CYS B 43 87.752 -18.867 42.345 1.00 0.00 N ATOM 1500 CA CYS B 43 88.697 -17.742 42.598 1.00 0.00 C ATOM 1501 C CYS B 43 87.928 -16.450 42.882 1.00 0.00 C ATOM 1502 O CYS B 43 88.320 -15.649 43.707 1.00 0.00 O ATOM 1503 CB CYS B 43 89.568 -17.511 41.365 1.00 0.00 C ATOM 1504 SG CYS B 43 90.712 -18.892 41.141 1.00 0.00 S ATOM 0 H CYS B 43 87.669 -19.161 41.372 1.00 0.00 H new ATOM 0 HA CYS B 43 89.313 -18.004 43.459 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.939 -17.403 40.481 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.126 -16.581 41.474 1.00 0.00 H new ATOM 0 HG CYS B 43 90.968 -19.043 39.875 1.00 0.00 H new ATOM 1509 N GLN B 44 86.863 -16.221 42.167 1.00 0.00 N ATOM 1510 CA GLN B 44 86.083 -14.962 42.339 1.00 0.00 C ATOM 1511 C GLN B 44 85.179 -15.043 43.568 1.00 0.00 C ATOM 1512 O GLN B 44 85.383 -14.353 44.546 1.00 0.00 O ATOM 1513 CB GLN B 44 85.230 -14.751 41.090 1.00 0.00 C ATOM 1514 CG GLN B 44 84.436 -13.452 41.198 1.00 0.00 C ATOM 1515 CD GLN B 44 83.631 -13.258 39.908 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.419 -13.339 39.919 1.00 0.00 O ATOM 1517 NE2 GLN B 44 84.257 -13.019 38.784 1.00 0.00 N ATOM 0 H GLN B 44 86.495 -16.860 41.462 1.00 0.00 H new ATOM 0 HA GLN B 44 86.771 -14.129 42.480 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.869 -14.721 40.207 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.548 -15.591 40.962 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.768 -13.488 42.058 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.110 -12.609 41.353 1.00 0.00 H new ATOM 0 HE21 GLN B 44 85.275 -12.950 38.772 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.727 -12.901 37.920 1.00 0.00 H new