USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=24 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: B 12 HIS : no HE2:sc= -3.29! C(o=-6.2!,f=-9.9!) USER MOD Set 1.2: B 16 HIS : no HE2:sc= -1.35 K(o=-6.2,f=-8.1!) USER MOD Set 1.3: B 40 CYS SG : rot -46:sc= 0.632 USER MOD Set 1.4: B 43 CYS SG : rot 91:sc= -2.24 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -3.68! C(o=-6.6!,f=-10!) USER MOD Set 2.2: A 16 HIS : no HE2:sc= -1.3 K(o=-6.6,f=-8.5!) USER MOD Set 2.3: A 40 CYS SG : rot -48:sc= 0.652 USER MOD Set 2.4: A 43 CYS SG : rot 89:sc= -2.29 USER MOD Single : A 1 PHE N :NH3+ 164:sc= 0.824 (180deg=0.44) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc=-0.000964 K(o=-0.00096,f=-1.4!) 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 -49:sc= 1.02 USER MOD Single : A 18 ASN : amide:sc=-0.00271 K(o=-0.0027,f=-1.9!) USER MOD Single : A 22 MET CE :methyl 155:sc= -0.209 (180deg=-1.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= -0.171 (180deg=-1.02) USER MOD Single : A 39 SER OG : rot 68:sc= 0.57 USER MOD Single : A 42 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00241) USER MOD Single : A 44 GLN : amide:sc= -3.88 X(o=-3.9,f=-3.8!) USER MOD Single : B 1 PHE N :NH3+ 159:sc= 0.85 (180deg=0.502) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) 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= 1.14 USER MOD Single : B 18 ASN : amide:sc= -0.0195 K(o=-0.019,f=-1.9!) USER MOD Single : B 22 MET CE :methyl 155:sc= -0.204 (180deg=-1.59!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 157:sc= -0.162 (180deg=-1.03) USER MOD Single : B 39 SER OG : rot 66:sc= 0.628 USER MOD Single : B 42 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00709) USER MOD Single : B 44 GLN : amide:sc= -4.02! X(o=-4!,f=-4.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.373 -3.527 24.176 1.00 0.00 N ATOM 2 CA PHE A 1 94.158 -4.133 25.520 1.00 0.00 C ATOM 3 C PHE A 1 93.843 -3.032 26.537 1.00 0.00 C ATOM 4 O PHE A 1 92.702 -2.667 26.735 1.00 0.00 O ATOM 5 CB PHE A 1 95.423 -4.878 25.955 1.00 0.00 C ATOM 6 CG PHE A 1 95.591 -6.137 25.134 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.088 -6.063 23.826 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.262 -7.382 25.688 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.256 -7.234 23.074 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.429 -8.550 24.934 1.00 0.00 C ATOM 11 CZ PHE A 1 95.926 -8.477 23.629 1.00 0.00 C ATOM 0 H1 PHE A 1 94.844 -4.216 23.556 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.456 -3.261 23.764 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.970 -2.680 24.268 1.00 0.00 H new ATOM 0 HA PHE A 1 93.322 -4.831 25.470 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.294 -4.235 25.831 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.360 -5.130 27.014 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.341 -5.105 23.398 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.880 -7.440 26.696 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.640 -7.178 22.066 1.00 0.00 H new ATOM 0 HE2 PHE A 1 95.174 -9.509 25.361 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.055 -9.379 23.049 1.00 0.00 H new ATOM 23 N LEU A 2 94.845 -2.512 27.191 1.00 0.00 N ATOM 24 CA LEU A 2 94.602 -1.447 28.207 1.00 0.00 C ATOM 25 C LEU A 2 93.963 -0.219 27.549 1.00 0.00 C ATOM 26 O LEU A 2 93.081 0.402 28.107 1.00 0.00 O ATOM 27 CB LEU A 2 95.937 -1.038 28.837 1.00 0.00 C ATOM 28 CG LEU A 2 96.592 -2.247 29.520 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.997 -1.858 29.991 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.753 -2.702 30.728 1.00 0.00 C ATOM 0 H LEU A 2 95.822 -2.778 27.066 1.00 0.00 H new ATOM 0 HA LEU A 2 93.927 -1.834 28.971 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.602 -0.639 28.071 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.776 -0.243 29.565 1.00 0.00 H new ATOM 0 HG LEU A 2 96.652 -3.069 28.807 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.467 -2.713 30.477 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.597 -1.553 29.134 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.928 -1.031 30.698 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.231 -3.560 31.201 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.678 -1.886 31.447 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.755 -2.983 30.393 1.00 0.00 H new ATOM 42 N ASP A 3 94.403 0.141 26.377 1.00 0.00 N ATOM 43 CA ASP A 3 93.821 1.336 25.700 1.00 0.00 C ATOM 44 C ASP A 3 92.345 1.092 25.385 1.00 0.00 C ATOM 45 O ASP A 3 91.502 1.934 25.614 1.00 0.00 O ATOM 46 CB ASP A 3 94.577 1.603 24.404 1.00 0.00 C ATOM 47 CG ASP A 3 94.019 2.863 23.740 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.439 3.944 24.118 1.00 0.00 O ATOM 49 OD2 ASP A 3 93.181 2.727 22.864 1.00 0.00 O ATOM 0 H ASP A 3 95.139 -0.338 25.858 1.00 0.00 H new ATOM 0 HA ASP A 3 93.908 2.198 26.361 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.640 1.727 24.609 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.480 0.751 23.731 1.00 0.00 H new ATOM 54 N GLY A 4 92.028 -0.058 24.861 1.00 0.00 N ATOM 55 CA GLY A 4 90.607 -0.357 24.533 1.00 0.00 C ATOM 56 C GLY A 4 89.773 -0.285 25.809 1.00 0.00 C ATOM 57 O GLY A 4 88.652 0.186 25.809 1.00 0.00 O ATOM 0 H GLY A 4 92.690 -0.803 24.646 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.233 0.356 23.799 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.525 -1.348 24.086 1.00 0.00 H new ATOM 61 N ILE A 5 90.312 -0.755 26.897 1.00 0.00 N ATOM 62 CA ILE A 5 89.561 -0.729 28.183 1.00 0.00 C ATOM 63 C ILE A 5 89.309 0.718 28.622 1.00 0.00 C ATOM 64 O ILE A 5 88.254 1.043 29.126 1.00 0.00 O ATOM 65 CB ILE A 5 90.374 -1.464 29.254 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.358 -2.967 28.961 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.776 -1.207 30.641 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.385 -3.675 29.850 1.00 0.00 C ATOM 0 H ILE A 5 91.247 -1.159 26.952 1.00 0.00 H new ATOM 0 HA ILE A 5 88.599 -1.223 28.048 1.00 0.00 H new ATOM 0 HB ILE A 5 91.400 -1.096 29.237 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.363 -3.373 29.144 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.587 -3.145 27.910 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.362 -1.734 31.393 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.793 -0.138 30.852 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.747 -1.566 30.666 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.372 -4.745 29.640 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.379 -3.277 29.646 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.136 -3.508 30.898 1.00 0.00 H new ATOM 80 N ASP A 6 90.270 1.584 28.461 1.00 0.00 N ATOM 81 CA ASP A 6 90.065 2.995 28.903 1.00 0.00 C ATOM 82 C ASP A 6 88.883 3.609 28.150 1.00 0.00 C ATOM 83 O ASP A 6 88.001 4.198 28.744 1.00 0.00 O ATOM 84 CB ASP A 6 91.331 3.810 28.627 1.00 0.00 C ATOM 85 CG ASP A 6 91.115 5.255 29.084 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.521 6.013 28.337 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.550 5.578 30.178 1.00 0.00 O ATOM 0 H ASP A 6 91.180 1.381 28.047 1.00 0.00 H new ATOM 0 HA ASP A 6 89.853 3.008 29.972 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.180 3.373 29.153 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.568 3.785 27.563 1.00 0.00 H new ATOM 92 N LYS A 7 88.850 3.477 26.857 1.00 0.00 N ATOM 93 CA LYS A 7 87.714 4.054 26.083 1.00 0.00 C ATOM 94 C LYS A 7 86.440 3.271 26.404 1.00 0.00 C ATOM 95 O LYS A 7 85.369 3.829 26.540 1.00 0.00 O ATOM 96 CB LYS A 7 88.009 3.939 24.587 1.00 0.00 C ATOM 97 CG LYS A 7 89.149 4.886 24.206 1.00 0.00 C ATOM 98 CD LYS A 7 89.432 4.758 22.708 1.00 0.00 C ATOM 99 CE LYS A 7 90.570 5.702 22.317 1.00 0.00 C ATOM 100 NZ LYS A 7 90.905 5.505 20.879 1.00 0.00 N ATOM 0 H LYS A 7 89.557 2.996 26.301 1.00 0.00 H new ATOM 0 HA LYS A 7 87.583 5.102 26.351 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.279 2.913 24.339 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.116 4.182 24.012 1.00 0.00 H new ATOM 0 HG2 LYS A 7 88.881 5.914 24.451 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.044 4.645 24.779 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.700 3.730 22.465 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.535 4.997 22.137 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.276 6.737 22.495 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.446 5.509 22.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.679 6.146 20.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.202 4.521 20.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.068 5.710 20.296 1.00 0.00 H new ATOM 114 N ALA A 8 86.557 1.977 26.517 1.00 0.00 N ATOM 115 CA ALA A 8 85.368 1.128 26.821 1.00 0.00 C ATOM 116 C ALA A 8 84.897 1.370 28.258 1.00 0.00 C ATOM 117 O ALA A 8 83.731 1.234 28.568 1.00 0.00 O ATOM 118 CB ALA A 8 85.746 -0.344 26.657 1.00 0.00 C ATOM 0 H ALA A 8 87.433 1.466 26.411 1.00 0.00 H new ATOM 0 HA ALA A 8 84.562 1.386 26.134 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.881 -0.969 26.878 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.071 -0.524 25.632 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.556 -0.590 27.343 1.00 0.00 H new ATOM 124 N GLN A 9 85.797 1.705 29.142 1.00 0.00 N ATOM 125 CA GLN A 9 85.399 1.929 30.561 1.00 0.00 C ATOM 126 C GLN A 9 84.418 3.106 30.640 1.00 0.00 C ATOM 127 O GLN A 9 84.610 4.131 30.018 1.00 0.00 O ATOM 128 CB GLN A 9 86.654 2.235 31.382 1.00 0.00 C ATOM 129 CG GLN A 9 86.283 2.439 32.850 1.00 0.00 C ATOM 130 CD GLN A 9 87.549 2.723 33.660 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.646 2.476 33.199 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.443 3.246 34.851 1.00 0.00 N ATOM 0 H GLN A 9 86.789 1.833 28.943 1.00 0.00 H new ATOM 0 HA GLN A 9 84.911 1.039 30.958 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.367 1.416 31.289 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.143 3.129 30.995 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.582 3.268 32.947 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.782 1.551 33.237 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.522 3.453 35.237 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.281 3.448 35.396 1.00 0.00 H new ATOM 141 N GLU A 10 83.360 2.958 31.398 1.00 0.00 N ATOM 142 CA GLU A 10 82.359 4.059 31.514 1.00 0.00 C ATOM 143 C GLU A 10 81.534 3.873 32.793 1.00 0.00 C ATOM 144 O GLU A 10 81.510 2.808 33.376 1.00 0.00 O ATOM 145 CB GLU A 10 81.431 4.033 30.294 1.00 0.00 C ATOM 146 CG GLU A 10 80.521 5.263 30.313 1.00 0.00 C ATOM 147 CD GLU A 10 79.801 5.389 28.968 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.427 5.846 28.024 1.00 0.00 O ATOM 149 OE2 GLU A 10 78.636 5.031 28.904 1.00 0.00 O ATOM 0 H GLU A 10 83.148 2.121 31.941 1.00 0.00 H new ATOM 0 HA GLU A 10 82.876 5.017 31.557 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.020 4.018 29.377 1.00 0.00 H new ATOM 0 HB3 GLU A 10 80.830 3.124 30.301 1.00 0.00 H new ATOM 0 HG2 GLU A 10 79.793 5.177 31.120 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.109 6.160 30.508 1.00 0.00 H new ATOM 156 N GLU A 11 80.860 4.905 33.235 1.00 0.00 N ATOM 157 CA GLU A 11 80.036 4.792 34.477 1.00 0.00 C ATOM 158 C GLU A 11 79.202 3.507 34.416 1.00 0.00 C ATOM 159 O GLU A 11 78.942 2.983 33.352 1.00 0.00 O ATOM 160 CB GLU A 11 79.109 6.010 34.583 1.00 0.00 C ATOM 161 CG GLU A 11 78.279 5.923 35.866 1.00 0.00 C ATOM 162 CD GLU A 11 77.441 7.194 36.021 1.00 0.00 C ATOM 163 OE1 GLU A 11 76.325 7.207 35.527 1.00 0.00 O ATOM 164 OE2 GLU A 11 77.927 8.132 36.632 1.00 0.00 O ATOM 0 H GLU A 11 80.845 5.822 32.789 1.00 0.00 H new ATOM 0 HA GLU A 11 80.687 4.758 35.351 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.698 6.927 34.582 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.450 6.053 33.716 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.629 5.048 35.832 1.00 0.00 H new ATOM 0 HG3 GLU A 11 78.935 5.800 36.728 1.00 0.00 H new ATOM 171 N HIS A 12 78.794 2.988 35.546 1.00 0.00 N ATOM 172 CA HIS A 12 77.990 1.729 35.546 1.00 0.00 C ATOM 173 C HIS A 12 76.642 1.980 34.868 1.00 0.00 C ATOM 174 O HIS A 12 75.596 1.932 35.485 1.00 0.00 O ATOM 175 CB HIS A 12 77.765 1.278 36.987 1.00 0.00 C ATOM 176 CG HIS A 12 76.834 0.099 37.012 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.264 -1.195 36.746 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.496 0.001 37.296 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.197 -2.012 36.885 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.100 -1.329 37.218 1.00 0.00 N ATOM 0 H HIS A 12 78.983 3.381 36.468 1.00 0.00 H new ATOM 0 HA HIS A 12 78.525 0.952 35.000 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.717 1.011 37.447 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.346 2.096 37.573 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.211 -1.476 36.492 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.849 0.830 37.542 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.228 -3.082 36.744 1.00 0.00 H new ATOM 188 N GLU A 13 76.673 2.247 33.598 1.00 0.00 N ATOM 189 CA GLU A 13 75.425 2.508 32.834 1.00 0.00 C ATOM 190 C GLU A 13 74.749 1.178 32.471 1.00 0.00 C ATOM 191 O GLU A 13 75.265 0.112 32.742 1.00 0.00 O ATOM 192 CB GLU A 13 75.796 3.281 31.565 1.00 0.00 C ATOM 193 CG GLU A 13 74.566 3.981 30.977 1.00 0.00 C ATOM 194 CD GLU A 13 75.015 4.946 29.879 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.213 5.077 29.689 1.00 0.00 O ATOM 196 OE2 GLU A 13 74.155 5.539 29.251 1.00 0.00 O ATOM 0 H GLU A 13 77.528 2.297 33.044 1.00 0.00 H new ATOM 0 HA GLU A 13 74.727 3.092 33.433 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.565 4.019 31.794 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.219 2.598 30.828 1.00 0.00 H new ATOM 0 HG2 GLU A 13 73.873 3.244 30.570 1.00 0.00 H new ATOM 0 HG3 GLU A 13 74.033 4.523 31.758 1.00 0.00 H new ATOM 203 N LYS A 14 73.598 1.237 31.859 1.00 0.00 N ATOM 204 CA LYS A 14 72.876 -0.009 31.469 1.00 0.00 C ATOM 205 C LYS A 14 73.727 -0.790 30.462 1.00 0.00 C ATOM 206 O LYS A 14 73.621 -1.994 30.345 1.00 0.00 O ATOM 207 CB LYS A 14 71.548 0.373 30.809 1.00 0.00 C ATOM 208 CG LYS A 14 70.625 1.020 31.843 1.00 0.00 C ATOM 209 CD LYS A 14 69.300 1.398 31.174 1.00 0.00 C ATOM 210 CE LYS A 14 68.373 2.047 32.204 1.00 0.00 C ATOM 211 NZ LYS A 14 67.166 2.586 31.516 1.00 0.00 N ATOM 0 H LYS A 14 73.122 2.104 31.610 1.00 0.00 H new ATOM 0 HA LYS A 14 72.692 -0.622 32.351 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.726 1.063 29.984 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.073 -0.512 30.387 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.445 0.331 32.668 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.098 1.907 32.265 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.481 2.086 30.348 1.00 0.00 H new ATOM 0 HD3 LYS A 14 68.828 0.511 30.752 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.079 1.315 32.957 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.896 2.849 32.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.536 3.027 32.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.455 3.297 30.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 66.664 1.811 31.038 1.00 0.00 H new ATOM 225 N TYR A 15 74.561 -0.108 29.726 1.00 0.00 N ATOM 226 CA TYR A 15 75.412 -0.798 28.714 1.00 0.00 C ATOM 227 C TYR A 15 76.275 -1.868 29.396 1.00 0.00 C ATOM 228 O TYR A 15 76.613 -2.869 28.795 1.00 0.00 O ATOM 229 CB TYR A 15 76.322 0.228 28.020 1.00 0.00 C ATOM 230 CG TYR A 15 75.547 0.970 26.955 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.822 2.122 27.287 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.557 0.506 25.635 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.108 2.809 26.298 1.00 0.00 C ATOM 234 CE2 TYR A 15 74.843 1.193 24.645 1.00 0.00 C ATOM 235 CZ TYR A 15 74.119 2.344 24.977 1.00 0.00 C ATOM 236 OH TYR A 15 73.413 3.021 24.004 1.00 0.00 O ATOM 0 H TYR A 15 74.691 0.902 29.782 1.00 0.00 H new ATOM 0 HA TYR A 15 74.769 -1.275 27.974 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.715 0.933 28.753 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.178 -0.277 27.573 1.00 0.00 H new ATOM 0 HD1 TYR A 15 74.814 2.480 28.306 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.116 -0.382 25.379 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.549 3.697 26.554 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.851 0.835 23.626 1.00 0.00 H new ATOM 0 HH TYR A 15 73.527 2.568 23.142 1.00 0.00 H new ATOM 246 N HIS A 16 76.647 -1.677 30.634 1.00 0.00 N ATOM 247 CA HIS A 16 77.494 -2.708 31.302 1.00 0.00 C ATOM 248 C HIS A 16 76.743 -4.041 31.323 1.00 0.00 C ATOM 249 O HIS A 16 77.318 -5.085 31.091 1.00 0.00 O ATOM 250 CB HIS A 16 77.806 -2.284 32.747 1.00 0.00 C ATOM 251 CG HIS A 16 78.929 -1.280 32.771 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.588 -0.930 33.948 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.536 -0.559 31.772 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.545 -0.038 33.623 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.552 0.219 32.314 1.00 0.00 N ATOM 0 H HIS A 16 76.406 -0.866 31.204 1.00 0.00 H new ATOM 0 HA HIS A 16 78.428 -2.812 30.750 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.916 -1.854 33.206 1.00 0.00 H new ATOM 0 HB3 HIS A 16 78.079 -3.158 33.338 1.00 0.00 H new ATOM 0 HD1 HIS A 16 79.384 -1.283 34.883 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.266 -0.592 30.727 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.222 0.413 34.334 1.00 0.00 H new ATOM 263 N SER A 17 75.465 -4.022 31.586 1.00 0.00 N ATOM 264 CA SER A 17 74.706 -5.301 31.600 1.00 0.00 C ATOM 265 C SER A 17 74.781 -5.927 30.208 1.00 0.00 C ATOM 266 O SER A 17 74.965 -7.120 30.059 1.00 0.00 O ATOM 267 CB SER A 17 73.248 -5.028 31.963 1.00 0.00 C ATOM 268 OG SER A 17 72.618 -4.341 30.890 1.00 0.00 O ATOM 0 H SER A 17 74.919 -3.185 31.790 1.00 0.00 H new ATOM 0 HA SER A 17 75.133 -5.981 32.337 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.730 -5.965 32.164 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.193 -4.432 32.874 1.00 0.00 H new ATOM 0 HG SER A 17 73.180 -3.589 30.608 1.00 0.00 H new ATOM 274 N ASN A 18 74.659 -5.124 29.182 1.00 0.00 N ATOM 275 CA ASN A 18 74.742 -5.661 27.792 1.00 0.00 C ATOM 276 C ASN A 18 76.189 -5.547 27.314 1.00 0.00 C ATOM 277 O ASN A 18 76.548 -4.626 26.607 1.00 0.00 O ATOM 278 CB ASN A 18 73.837 -4.842 26.872 1.00 0.00 C ATOM 279 CG ASN A 18 72.374 -5.130 27.212 1.00 0.00 C ATOM 280 OD1 ASN A 18 72.068 -6.138 27.816 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.453 -4.282 26.846 1.00 0.00 N ATOM 0 H ASN A 18 74.505 -4.118 29.248 1.00 0.00 H new ATOM 0 HA ASN A 18 74.421 -6.702 27.774 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.047 -3.779 26.989 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.036 -5.093 25.830 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.474 -4.465 27.067 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.712 -3.436 26.339 1.00 0.00 H new ATOM 288 N TRP A 19 77.020 -6.471 27.697 1.00 0.00 N ATOM 289 CA TRP A 19 78.445 -6.417 27.273 1.00 0.00 C ATOM 290 C TRP A 19 78.549 -6.708 25.775 1.00 0.00 C ATOM 291 O TRP A 19 79.490 -6.307 25.119 1.00 0.00 O ATOM 292 CB TRP A 19 79.257 -7.448 28.055 1.00 0.00 C ATOM 293 CG TRP A 19 78.756 -8.818 27.740 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.836 -9.495 28.464 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.127 -9.686 26.631 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.628 -10.730 27.876 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.399 -10.893 26.743 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.018 -9.546 25.551 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.551 -11.925 25.818 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.172 -10.581 24.618 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.440 -11.769 24.752 1.00 0.00 C ATOM 0 H TRP A 19 76.774 -7.265 28.288 1.00 0.00 H new ATOM 0 HA TRP A 19 78.841 -5.422 27.475 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.313 -7.367 27.797 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.175 -7.256 29.125 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.345 -9.132 29.354 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.984 -11.434 28.236 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.587 -8.635 25.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 77.985 -12.839 25.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.858 -10.463 23.792 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.563 -12.564 24.031 1.00 0.00 H new ATOM 312 N ARG A 20 77.603 -7.424 25.229 1.00 0.00 N ATOM 313 CA ARG A 20 77.669 -7.756 23.777 1.00 0.00 C ATOM 314 C ARG A 20 77.676 -6.468 22.950 1.00 0.00 C ATOM 315 O ARG A 20 78.398 -6.347 21.981 1.00 0.00 O ATOM 316 CB ARG A 20 76.443 -8.587 23.392 1.00 0.00 C ATOM 317 CG ARG A 20 76.539 -9.984 24.013 1.00 0.00 C ATOM 318 CD ARG A 20 75.301 -10.791 23.611 1.00 0.00 C ATOM 319 NE ARG A 20 75.367 -12.166 24.213 1.00 0.00 N ATOM 320 CZ ARG A 20 76.335 -12.995 23.931 1.00 0.00 C ATOM 321 NH1 ARG A 20 77.208 -12.701 23.008 1.00 0.00 N ATOM 322 NH2 ARG A 20 76.408 -14.141 24.549 1.00 0.00 N ATOM 0 H ARG A 20 76.790 -7.792 25.724 1.00 0.00 H new ATOM 0 HA ARG A 20 78.580 -8.321 23.580 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.535 -8.090 23.734 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.374 -8.667 22.307 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.444 -10.487 23.672 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.605 -9.910 25.099 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.399 -10.280 23.948 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.240 -10.863 22.525 1.00 0.00 H new ATOM 0 HE ARG A 20 74.635 -12.460 24.860 1.00 0.00 H new ATOM 0 HH11 ARG A 20 77.137 -11.819 22.501 1.00 0.00 H new ATOM 0 HH12 ARG A 20 77.962 -13.353 22.793 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.710 -14.387 25.251 1.00 0.00 H new ATOM 0 HH22 ARG A 20 77.163 -14.791 24.331 1.00 0.00 H new ATOM 336 N ALA A 21 76.882 -5.503 23.324 1.00 0.00 N ATOM 337 CA ALA A 21 76.857 -4.228 22.551 1.00 0.00 C ATOM 338 C ALA A 21 78.237 -3.571 22.613 1.00 0.00 C ATOM 339 O ALA A 21 78.739 -3.063 21.630 1.00 0.00 O ATOM 340 CB ALA A 21 75.815 -3.282 23.152 1.00 0.00 C ATOM 0 H ALA A 21 76.253 -5.541 24.126 1.00 0.00 H new ATOM 0 HA ALA A 21 76.597 -4.438 21.513 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.799 -2.351 22.585 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.831 -3.750 23.109 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.072 -3.070 24.190 1.00 0.00 H new ATOM 346 N MET A 22 78.852 -3.575 23.766 1.00 0.00 N ATOM 347 CA MET A 22 80.198 -2.948 23.900 1.00 0.00 C ATOM 348 C MET A 22 81.212 -3.716 23.049 1.00 0.00 C ATOM 349 O MET A 22 82.050 -3.133 22.390 1.00 0.00 O ATOM 350 CB MET A 22 80.620 -2.981 25.370 1.00 0.00 C ATOM 351 CG MET A 22 81.975 -2.289 25.537 1.00 0.00 C ATOM 352 SD MET A 22 82.361 -2.130 27.302 1.00 0.00 S ATOM 353 CE MET A 22 82.363 -3.894 27.706 1.00 0.00 C ATOM 0 H MET A 22 78.479 -3.986 24.622 1.00 0.00 H new ATOM 0 HA MET A 22 80.159 -1.915 23.555 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.869 -2.484 25.984 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.683 -4.013 25.716 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.753 -2.864 25.034 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.953 -1.305 25.069 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.987 -4.066 28.583 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.344 -4.220 27.916 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.758 -4.460 26.863 1.00 0.00 H new ATOM 363 N ALA A 23 81.137 -5.018 23.050 1.00 0.00 N ATOM 364 CA ALA A 23 82.093 -5.815 22.229 1.00 0.00 C ATOM 365 C ALA A 23 81.854 -5.516 20.751 1.00 0.00 C ATOM 366 O ALA A 23 82.776 -5.396 19.968 1.00 0.00 O ATOM 367 CB ALA A 23 81.865 -7.307 22.481 1.00 0.00 C ATOM 0 H ALA A 23 80.458 -5.563 23.581 1.00 0.00 H new ATOM 0 HA ALA A 23 83.115 -5.551 22.502 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.564 -7.888 21.880 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.024 -7.526 23.537 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.844 -7.571 22.206 1.00 0.00 H new ATOM 373 N SER A 24 80.614 -5.399 20.367 1.00 0.00 N ATOM 374 CA SER A 24 80.293 -5.113 18.943 1.00 0.00 C ATOM 375 C SER A 24 80.727 -3.691 18.586 1.00 0.00 C ATOM 376 O SER A 24 81.234 -3.437 17.511 1.00 0.00 O ATOM 377 CB SER A 24 78.784 -5.257 18.730 1.00 0.00 C ATOM 378 OG SER A 24 78.464 -4.902 17.392 1.00 0.00 O ATOM 0 H SER A 24 79.805 -5.490 20.982 1.00 0.00 H new ATOM 0 HA SER A 24 80.825 -5.817 18.303 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.473 -6.282 18.931 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.244 -4.617 19.428 1.00 0.00 H new ATOM 0 HG SER A 24 77.499 -4.994 17.251 1.00 0.00 H new ATOM 384 N ASP A 25 80.526 -2.757 19.473 1.00 0.00 N ATOM 385 CA ASP A 25 80.920 -1.351 19.175 1.00 0.00 C ATOM 386 C ASP A 25 82.432 -1.281 18.949 1.00 0.00 C ATOM 387 O ASP A 25 82.908 -0.578 18.080 1.00 0.00 O ATOM 388 CB ASP A 25 80.537 -0.450 20.353 1.00 0.00 C ATOM 389 CG ASP A 25 79.015 -0.335 20.435 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.359 -0.685 19.468 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.530 0.101 21.468 1.00 0.00 O ATOM 0 H ASP A 25 80.106 -2.906 20.391 1.00 0.00 H new ATOM 0 HA ASP A 25 80.402 -1.013 18.277 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.932 -0.861 21.282 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.981 0.538 20.228 1.00 0.00 H new ATOM 396 N PHE A 26 83.192 -2.005 19.730 1.00 0.00 N ATOM 397 CA PHE A 26 84.681 -1.991 19.577 1.00 0.00 C ATOM 398 C PHE A 26 85.137 -3.230 18.796 1.00 0.00 C ATOM 399 O PHE A 26 86.313 -3.424 18.555 1.00 0.00 O ATOM 400 CB PHE A 26 85.332 -1.990 20.965 1.00 0.00 C ATOM 401 CG PHE A 26 85.139 -0.640 21.619 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.915 -0.317 22.221 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.187 0.290 21.624 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.742 0.935 22.827 1.00 0.00 C ATOM 405 CE2 PHE A 26 86.013 1.540 22.229 1.00 0.00 C ATOM 406 CZ PHE A 26 84.791 1.862 22.831 1.00 0.00 C ATOM 0 H PHE A 26 82.844 -2.610 20.473 1.00 0.00 H new ATOM 0 HA PHE A 26 84.980 -1.096 19.031 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.891 -2.771 21.584 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.395 -2.214 20.879 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.106 -1.032 22.218 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.130 0.042 21.160 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.799 1.185 23.291 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.821 2.256 22.231 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.657 2.826 23.299 1.00 0.00 H new ATOM 416 N ASN A 27 84.218 -4.065 18.393 1.00 0.00 N ATOM 417 CA ASN A 27 84.598 -5.286 17.621 1.00 0.00 C ATOM 418 C ASN A 27 85.682 -6.070 18.368 1.00 0.00 C ATOM 419 O ASN A 27 86.664 -6.491 17.787 1.00 0.00 O ATOM 420 CB ASN A 27 85.121 -4.883 16.241 1.00 0.00 C ATOM 421 CG ASN A 27 83.972 -4.326 15.399 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.088 -3.264 14.819 1.00 0.00 O ATOM 423 ND2 ASN A 27 82.860 -5.002 15.303 1.00 0.00 N ATOM 0 H ASN A 27 83.219 -3.955 18.565 1.00 0.00 H new ATOM 0 HA ASN A 27 83.717 -5.917 17.508 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.906 -4.134 16.343 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.565 -5.745 15.743 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.089 -4.639 14.742 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.761 -5.893 15.789 1.00 0.00 H new ATOM 430 N LEU A 28 85.503 -6.282 19.647 1.00 0.00 N ATOM 431 CA LEU A 28 86.506 -7.054 20.450 1.00 0.00 C ATOM 432 C LEU A 28 85.848 -8.359 20.907 1.00 0.00 C ATOM 433 O LEU A 28 84.645 -8.412 21.081 1.00 0.00 O ATOM 434 CB LEU A 28 86.895 -6.235 21.688 1.00 0.00 C ATOM 435 CG LEU A 28 87.731 -5.012 21.278 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.784 -4.024 22.449 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.165 -5.440 20.900 1.00 0.00 C ATOM 0 H LEU A 28 84.697 -5.951 20.177 1.00 0.00 H new ATOM 0 HA LEU A 28 87.394 -7.260 19.852 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.997 -5.910 22.214 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.463 -6.857 22.380 1.00 0.00 H new ATOM 0 HG LEU A 28 87.268 -4.540 20.412 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.376 -3.154 22.164 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.773 -3.707 22.704 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.241 -4.507 23.312 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.743 -4.562 20.612 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.638 -5.922 21.756 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.128 -6.139 20.065 1.00 0.00 H new ATOM 449 N PRO A 29 86.607 -9.410 21.106 1.00 0.00 N ATOM 450 CA PRO A 29 86.035 -10.710 21.555 1.00 0.00 C ATOM 451 C PRO A 29 85.552 -10.621 23.015 1.00 0.00 C ATOM 452 O PRO A 29 86.103 -9.872 23.798 1.00 0.00 O ATOM 453 CB PRO A 29 87.208 -11.690 21.413 1.00 0.00 C ATOM 454 CG PRO A 29 88.428 -10.841 21.559 1.00 0.00 C ATOM 455 CD PRO A 29 88.071 -9.488 20.937 1.00 0.00 C ATOM 0 HA PRO A 29 85.163 -11.015 20.976 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.171 -12.466 22.178 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.189 -12.194 20.447 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.703 -10.729 22.608 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.281 -11.292 21.052 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.578 -8.667 21.443 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.357 -9.441 19.886 1.00 0.00 H new ATOM 463 N PRO A 30 84.538 -11.365 23.388 1.00 0.00 N ATOM 464 CA PRO A 30 84.009 -11.332 24.781 1.00 0.00 C ATOM 465 C PRO A 30 85.130 -11.264 25.831 1.00 0.00 C ATOM 466 O PRO A 30 84.913 -10.880 26.961 1.00 0.00 O ATOM 467 CB PRO A 30 83.240 -12.655 24.895 1.00 0.00 C ATOM 468 CG PRO A 30 82.775 -12.964 23.503 1.00 0.00 C ATOM 469 CD PRO A 30 83.785 -12.313 22.541 1.00 0.00 C ATOM 0 HA PRO A 30 83.397 -10.450 24.967 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.879 -13.449 25.282 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.397 -12.562 25.580 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.727 -14.041 23.342 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.772 -12.571 23.334 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.444 -13.057 22.094 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.281 -11.800 21.722 1.00 0.00 H new ATOM 477 N VAL A 31 86.322 -11.649 25.474 1.00 0.00 N ATOM 478 CA VAL A 31 87.437 -11.627 26.462 1.00 0.00 C ATOM 479 C VAL A 31 87.610 -10.229 27.046 1.00 0.00 C ATOM 480 O VAL A 31 87.535 -10.033 28.243 1.00 0.00 O ATOM 481 CB VAL A 31 88.736 -12.041 25.765 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.903 -11.991 26.755 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.589 -13.463 25.222 1.00 0.00 C ATOM 0 H VAL A 31 86.573 -11.978 24.542 1.00 0.00 H new ATOM 0 HA VAL A 31 87.203 -12.321 27.270 1.00 0.00 H new ATOM 0 HB VAL A 31 88.936 -11.352 24.944 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.822 -12.287 26.249 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.011 -10.977 27.139 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.708 -12.673 27.582 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.513 -13.760 24.725 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.383 -14.147 26.045 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.766 -13.497 24.508 1.00 0.00 H new ATOM 493 N VAL A 32 87.857 -9.258 26.221 1.00 0.00 N ATOM 494 CA VAL A 32 88.052 -7.882 26.752 1.00 0.00 C ATOM 495 C VAL A 32 86.750 -7.401 27.389 1.00 0.00 C ATOM 496 O VAL A 32 86.749 -6.800 28.444 1.00 0.00 O ATOM 497 CB VAL A 32 88.460 -6.943 25.612 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.424 -5.484 26.096 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.877 -7.299 25.150 1.00 0.00 C ATOM 0 H VAL A 32 87.933 -9.353 25.208 1.00 0.00 H new ATOM 0 HA VAL A 32 88.841 -7.885 27.504 1.00 0.00 H new ATOM 0 HB VAL A 32 87.763 -7.057 24.781 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.715 -4.823 25.280 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.415 -5.234 26.423 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.116 -5.360 26.929 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.173 -6.634 24.339 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.571 -7.186 25.983 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.897 -8.331 24.799 1.00 0.00 H new ATOM 509 N ALA A 33 85.643 -7.662 26.759 1.00 0.00 N ATOM 510 CA ALA A 33 84.343 -7.221 27.332 1.00 0.00 C ATOM 511 C ALA A 33 84.105 -7.916 28.676 1.00 0.00 C ATOM 512 O ALA A 33 83.691 -7.299 29.638 1.00 0.00 O ATOM 513 CB ALA A 33 83.213 -7.572 26.360 1.00 0.00 C ATOM 0 H ALA A 33 85.581 -8.162 25.872 1.00 0.00 H new ATOM 0 HA ALA A 33 84.364 -6.143 27.489 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.260 -7.249 26.779 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.381 -7.067 25.409 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.193 -8.650 26.200 1.00 0.00 H new ATOM 519 N LYS A 34 84.353 -9.197 28.754 1.00 0.00 N ATOM 520 CA LYS A 34 84.126 -9.912 30.041 1.00 0.00 C ATOM 521 C LYS A 34 85.079 -9.363 31.111 1.00 0.00 C ATOM 522 O LYS A 34 84.708 -9.197 32.255 1.00 0.00 O ATOM 523 CB LYS A 34 84.368 -11.415 29.840 1.00 0.00 C ATOM 524 CG LYS A 34 83.265 -12.026 28.952 1.00 0.00 C ATOM 525 CD LYS A 34 82.015 -12.354 29.775 1.00 0.00 C ATOM 526 CE LYS A 34 80.969 -12.994 28.858 1.00 0.00 C ATOM 527 NZ LYS A 34 81.560 -14.188 28.188 1.00 0.00 N ATOM 0 H LYS A 34 84.700 -9.774 27.988 1.00 0.00 H new ATOM 0 HA LYS A 34 83.098 -9.756 30.369 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.343 -11.574 29.380 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.386 -11.919 30.806 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.007 -11.329 28.155 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.638 -12.932 28.474 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.268 -13.033 30.589 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.614 -11.448 30.229 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.092 -13.285 29.436 1.00 0.00 H new ATOM 0 HE3 LYS A 34 80.634 -12.273 28.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.798 -14.824 27.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.116 -13.884 27.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.179 -14.690 28.856 1.00 0.00 H new ATOM 541 N GLU A 35 86.307 -9.088 30.751 1.00 0.00 N ATOM 542 CA GLU A 35 87.278 -8.560 31.755 1.00 0.00 C ATOM 543 C GLU A 35 86.781 -7.225 32.320 1.00 0.00 C ATOM 544 O GLU A 35 86.896 -6.962 33.501 1.00 0.00 O ATOM 545 CB GLU A 35 88.642 -8.352 31.086 1.00 0.00 C ATOM 546 CG GLU A 35 89.736 -8.211 32.154 1.00 0.00 C ATOM 547 CD GLU A 35 89.598 -6.856 32.853 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.859 -5.851 32.212 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.234 -6.846 34.018 1.00 0.00 O ATOM 0 H GLU A 35 86.678 -9.206 29.808 1.00 0.00 H new ATOM 0 HA GLU A 35 87.372 -9.279 32.569 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.867 -9.194 30.432 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.617 -7.460 30.460 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.654 -9.018 32.882 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.721 -8.296 31.694 1.00 0.00 H new ATOM 556 N ILE A 36 86.234 -6.376 31.491 1.00 0.00 N ATOM 557 CA ILE A 36 85.740 -5.061 31.997 1.00 0.00 C ATOM 558 C ILE A 36 84.625 -5.303 33.016 1.00 0.00 C ATOM 559 O ILE A 36 84.539 -4.644 34.032 1.00 0.00 O ATOM 560 CB ILE A 36 85.204 -4.239 30.821 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.375 -3.802 29.936 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.470 -2.998 31.342 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.843 -3.305 28.593 1.00 0.00 C ATOM 0 H ILE A 36 86.108 -6.534 30.491 1.00 0.00 H new ATOM 0 HA ILE A 36 86.553 -4.515 32.476 1.00 0.00 H new ATOM 0 HB ILE A 36 84.510 -4.848 30.243 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.942 -3.012 30.429 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.059 -4.637 29.782 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.092 -2.419 30.500 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.637 -3.306 31.974 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.159 -2.385 31.924 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.677 -2.994 27.964 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.295 -4.108 28.099 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.177 -2.458 28.757 1.00 0.00 H new ATOM 575 N VAL A 37 83.776 -6.253 32.748 1.00 0.00 N ATOM 576 CA VAL A 37 82.668 -6.557 33.692 1.00 0.00 C ATOM 577 C VAL A 37 83.267 -7.029 35.017 1.00 0.00 C ATOM 578 O VAL A 37 82.801 -6.684 36.085 1.00 0.00 O ATOM 579 CB VAL A 37 81.793 -7.661 33.092 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.796 -8.165 34.136 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.033 -7.101 31.887 1.00 0.00 C ATOM 0 H VAL A 37 83.802 -6.835 31.911 1.00 0.00 H new ATOM 0 HA VAL A 37 82.060 -5.669 33.864 1.00 0.00 H new ATOM 0 HB VAL A 37 82.425 -8.491 32.777 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.178 -8.950 33.700 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.338 -8.564 34.994 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.160 -7.341 34.460 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.408 -7.883 31.456 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.405 -6.270 32.207 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.744 -6.751 31.139 1.00 0.00 H new ATOM 591 N ALA A 38 84.302 -7.815 34.947 1.00 0.00 N ATOM 592 CA ALA A 38 84.950 -8.323 36.189 1.00 0.00 C ATOM 593 C ALA A 38 85.634 -7.167 36.921 1.00 0.00 C ATOM 594 O ALA A 38 85.740 -7.162 38.131 1.00 0.00 O ATOM 595 CB ALA A 38 85.992 -9.378 35.813 1.00 0.00 C ATOM 0 H ALA A 38 84.731 -8.131 34.077 1.00 0.00 H new ATOM 0 HA ALA A 38 84.197 -8.765 36.841 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.471 -9.755 36.717 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.504 -10.201 35.291 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.744 -8.931 35.163 1.00 0.00 H new ATOM 601 N SER A 39 86.098 -6.188 36.199 1.00 0.00 N ATOM 602 CA SER A 39 86.775 -5.037 36.856 1.00 0.00 C ATOM 603 C SER A 39 85.735 -4.210 37.617 1.00 0.00 C ATOM 604 O SER A 39 85.983 -3.737 38.708 1.00 0.00 O ATOM 605 CB SER A 39 87.453 -4.169 35.794 1.00 0.00 C ATOM 606 OG SER A 39 88.499 -4.912 35.180 1.00 0.00 O ATOM 0 H SER A 39 86.038 -6.135 35.182 1.00 0.00 H new ATOM 0 HA SER A 39 87.529 -5.402 37.553 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.726 -3.855 35.045 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.853 -3.263 36.249 1.00 0.00 H new ATOM 0 HG SER A 39 88.115 -5.640 34.648 1.00 0.00 H new ATOM 612 N CYS A 40 84.571 -4.037 37.053 1.00 0.00 N ATOM 613 CA CYS A 40 83.514 -3.246 37.748 1.00 0.00 C ATOM 614 C CYS A 40 82.897 -4.094 38.867 1.00 0.00 C ATOM 615 O CYS A 40 82.189 -5.049 38.620 1.00 0.00 O ATOM 616 CB CYS A 40 82.433 -2.854 36.737 1.00 0.00 C ATOM 617 SG CYS A 40 81.229 -1.753 37.523 1.00 0.00 S ATOM 0 H CYS A 40 84.305 -4.409 36.141 1.00 0.00 H new ATOM 0 HA CYS A 40 83.950 -2.345 38.180 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.887 -2.358 35.879 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.933 -3.746 36.361 1.00 0.00 H new ATOM 0 HG CYS A 40 80.861 -2.256 38.664 1.00 0.00 H new ATOM 622 N ASP A 41 83.170 -3.748 40.098 1.00 0.00 N ATOM 623 CA ASP A 41 82.615 -4.523 41.250 1.00 0.00 C ATOM 624 C ASP A 41 81.085 -4.500 41.243 1.00 0.00 C ATOM 625 O ASP A 41 80.444 -5.484 41.552 1.00 0.00 O ATOM 626 CB ASP A 41 83.119 -3.930 42.566 1.00 0.00 C ATOM 627 CG ASP A 41 84.613 -4.223 42.720 1.00 0.00 C ATOM 628 OD1 ASP A 41 85.401 -3.510 42.121 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.942 -5.152 43.439 1.00 0.00 O ATOM 0 H ASP A 41 83.758 -2.956 40.358 1.00 0.00 H new ATOM 0 HA ASP A 41 82.950 -5.556 41.154 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.945 -2.854 42.582 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.566 -4.355 43.404 1.00 0.00 H new ATOM 634 N LYS A 42 80.491 -3.386 40.924 1.00 0.00 N ATOM 635 CA LYS A 42 79.001 -3.317 40.943 1.00 0.00 C ATOM 636 C LYS A 42 78.435 -4.354 39.971 1.00 0.00 C ATOM 637 O LYS A 42 77.447 -5.001 40.252 1.00 0.00 O ATOM 638 CB LYS A 42 78.534 -1.919 40.518 1.00 0.00 C ATOM 639 CG LYS A 42 78.885 -0.899 41.606 1.00 0.00 C ATOM 640 CD LYS A 42 78.415 0.495 41.173 1.00 0.00 C ATOM 641 CE LYS A 42 78.824 1.531 42.224 1.00 0.00 C ATOM 642 NZ LYS A 42 77.904 1.450 43.394 1.00 0.00 N ATOM 0 H LYS A 42 80.966 -2.525 40.653 1.00 0.00 H new ATOM 0 HA LYS A 42 78.647 -3.522 41.953 1.00 0.00 H new ATOM 0 HB2 LYS A 42 79.008 -1.638 39.577 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.458 -1.923 40.344 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.411 -1.178 42.547 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.961 -0.893 41.780 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.851 0.752 40.207 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.332 0.500 41.046 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.851 1.353 42.544 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.793 2.532 41.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.174 2.166 44.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.928 1.624 43.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.968 0.504 43.821 1.00 0.00 H new ATOM 656 N CYS A 43 79.047 -4.520 38.832 1.00 0.00 N ATOM 657 CA CYS A 43 78.529 -5.520 37.857 1.00 0.00 C ATOM 658 C CYS A 43 78.917 -6.937 38.298 1.00 0.00 C ATOM 659 O CYS A 43 78.200 -7.889 38.064 1.00 0.00 O ATOM 660 CB CYS A 43 79.147 -5.269 36.482 1.00 0.00 C ATOM 661 SG CYS A 43 78.654 -3.646 35.869 1.00 0.00 S ATOM 0 H CYS A 43 79.879 -4.010 38.535 1.00 0.00 H new ATOM 0 HA CYS A 43 77.444 -5.425 37.811 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.234 -5.327 36.547 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.827 -6.043 35.784 1.00 0.00 H new ATOM 0 HG CYS A 43 79.508 -2.752 36.272 1.00 0.00 H new ATOM 666 N GLN A 44 80.069 -7.089 38.894 1.00 0.00 N ATOM 667 CA GLN A 44 80.529 -8.452 39.302 1.00 0.00 C ATOM 668 C GLN A 44 79.869 -8.905 40.608 1.00 0.00 C ATOM 669 O GLN A 44 79.050 -9.801 40.622 1.00 0.00 O ATOM 670 CB GLN A 44 82.045 -8.416 39.505 1.00 0.00 C ATOM 671 CG GLN A 44 82.572 -9.829 39.777 1.00 0.00 C ATOM 672 CD GLN A 44 84.078 -9.768 40.043 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.744 -8.699 39.705 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.653 -10.701 40.566 1.00 0.00 N ATOM 0 H GLN A 44 80.713 -6.330 39.117 1.00 0.00 H new ATOM 0 HA GLN A 44 80.251 -9.156 38.518 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.529 -8.003 38.620 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.293 -7.760 40.339 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.057 -10.262 40.635 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.368 -10.476 38.923 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.132 -11.537 40.831 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.657 -10.648 40.741 1.00 0.00 H new ATOM 844 N PHE B 1 93.903 -14.327 22.110 1.00 0.00 N ATOM 845 CA PHE B 1 92.716 -14.091 22.977 1.00 0.00 C ATOM 846 C PHE B 1 92.106 -15.433 23.392 1.00 0.00 C ATOM 847 O PHE B 1 92.478 -16.013 24.393 1.00 0.00 O ATOM 848 CB PHE B 1 91.671 -13.276 22.208 1.00 0.00 C ATOM 849 CG PHE B 1 92.147 -11.849 22.043 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.103 -11.536 21.068 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.623 -10.836 22.859 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.532 -10.211 20.908 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.055 -9.513 22.700 1.00 0.00 C ATOM 854 CZ PHE B 1 93.008 -9.200 21.725 1.00 0.00 C ATOM 0 H1 PHE B 1 94.100 -13.473 21.551 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.728 -14.550 22.703 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.712 -15.124 21.469 1.00 0.00 H new ATOM 0 HA PHE B 1 93.025 -13.541 23.866 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.495 -13.725 21.230 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.721 -13.292 22.742 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.509 -12.315 20.440 1.00 0.00 H new ATOM 0 HD2 PHE B 1 90.886 -11.076 23.611 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.267 -9.969 20.155 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.652 -8.734 23.331 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.340 -8.180 21.602 1.00 0.00 H new ATOM 866 N LEU B 2 91.160 -15.925 22.637 1.00 0.00 N ATOM 867 CA LEU B 2 90.515 -17.222 22.993 1.00 0.00 C ATOM 868 C LEU B 2 91.555 -18.347 22.999 1.00 0.00 C ATOM 869 O LEU B 2 91.536 -19.211 23.851 1.00 0.00 O ATOM 870 CB LEU B 2 89.432 -17.548 21.962 1.00 0.00 C ATOM 871 CG LEU B 2 88.367 -16.444 21.947 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.391 -16.701 20.795 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.595 -16.423 23.278 1.00 0.00 C ATOM 0 H LEU B 2 90.806 -15.484 21.788 1.00 0.00 H new ATOM 0 HA LEU B 2 90.074 -17.137 23.986 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.879 -17.646 20.973 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.970 -18.506 22.199 1.00 0.00 H new ATOM 0 HG LEU B 2 88.858 -15.480 21.812 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.632 -15.919 20.780 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.934 -16.697 19.850 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.911 -17.670 20.934 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.843 -15.634 23.250 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.106 -17.385 23.430 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.288 -16.235 24.098 1.00 0.00 H new ATOM 885 N ASP B 3 92.454 -18.351 22.054 1.00 0.00 N ATOM 886 CA ASP B 3 93.480 -19.434 22.012 1.00 0.00 C ATOM 887 C ASP B 3 94.369 -19.360 23.252 1.00 0.00 C ATOM 888 O ASP B 3 94.652 -20.356 23.886 1.00 0.00 O ATOM 889 CB ASP B 3 94.337 -19.270 20.761 1.00 0.00 C ATOM 890 CG ASP B 3 95.355 -20.409 20.688 1.00 0.00 C ATOM 891 OD1 ASP B 3 94.997 -21.462 20.185 1.00 0.00 O ATOM 892 OD2 ASP B 3 96.471 -20.212 21.139 1.00 0.00 O ATOM 0 H ASP B 3 92.524 -17.655 21.312 1.00 0.00 H new ATOM 0 HA ASP B 3 92.979 -20.402 21.990 1.00 0.00 H new ATOM 0 HB2 ASP B 3 93.706 -19.274 19.872 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.851 -18.309 20.783 1.00 0.00 H new ATOM 897 N GLY B 4 94.812 -18.186 23.604 1.00 0.00 N ATOM 898 CA GLY B 4 95.681 -18.048 24.806 1.00 0.00 C ATOM 899 C GLY B 4 94.920 -18.548 26.033 1.00 0.00 C ATOM 900 O GLY B 4 95.475 -19.180 26.910 1.00 0.00 O ATOM 0 H GLY B 4 94.610 -17.316 23.112 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.599 -18.620 24.674 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.972 -17.006 24.942 1.00 0.00 H new ATOM 904 N ILE B 5 93.651 -18.261 26.101 1.00 0.00 N ATOM 905 CA ILE B 5 92.842 -18.706 27.270 1.00 0.00 C ATOM 906 C ILE B 5 92.762 -20.237 27.316 1.00 0.00 C ATOM 907 O ILE B 5 92.825 -20.833 28.372 1.00 0.00 O ATOM 908 CB ILE B 5 91.429 -18.118 27.153 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.484 -16.611 27.418 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.495 -18.782 28.171 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.146 -15.974 27.034 1.00 0.00 C ATOM 0 H ILE B 5 93.137 -17.735 25.394 1.00 0.00 H new ATOM 0 HA ILE B 5 93.316 -18.357 28.187 1.00 0.00 H new ATOM 0 HB ILE B 5 91.047 -18.303 26.149 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.699 -16.424 28.470 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.292 -16.159 26.842 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.495 -18.357 28.079 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.452 -19.854 27.980 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.872 -18.607 29.179 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.186 -14.901 27.223 1.00 0.00 H new ATOM 0 HD12 ILE B 5 89.950 -16.149 25.976 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.348 -16.418 27.629 1.00 0.00 H new ATOM 923 N ASP B 6 92.609 -20.877 26.192 1.00 0.00 N ATOM 924 CA ASP B 6 92.506 -22.365 26.204 1.00 0.00 C ATOM 925 C ASP B 6 93.776 -22.969 26.804 1.00 0.00 C ATOM 926 O ASP B 6 93.717 -23.809 27.680 1.00 0.00 O ATOM 927 CB ASP B 6 92.315 -22.881 24.776 1.00 0.00 C ATOM 928 CG ASP B 6 92.211 -24.407 24.795 1.00 0.00 C ATOM 929 OD1 ASP B 6 93.246 -25.052 24.835 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.098 -24.907 24.772 1.00 0.00 O ATOM 0 H ASP B 6 92.551 -20.441 25.272 1.00 0.00 H new ATOM 0 HA ASP B 6 91.649 -22.658 26.811 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.414 -22.450 24.340 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.152 -22.571 24.151 1.00 0.00 H new ATOM 935 N LYS B 7 94.922 -22.549 26.348 1.00 0.00 N ATOM 936 CA LYS B 7 96.187 -23.101 26.906 1.00 0.00 C ATOM 937 C LYS B 7 96.349 -22.629 28.352 1.00 0.00 C ATOM 938 O LYS B 7 96.776 -23.366 29.218 1.00 0.00 O ATOM 939 CB LYS B 7 97.374 -22.597 26.080 1.00 0.00 C ATOM 940 CG LYS B 7 97.346 -23.236 24.691 1.00 0.00 C ATOM 941 CD LYS B 7 98.536 -22.722 23.877 1.00 0.00 C ATOM 942 CE LYS B 7 98.517 -23.356 22.486 1.00 0.00 C ATOM 943 NZ LYS B 7 99.624 -22.784 21.666 1.00 0.00 N ATOM 0 H LYS B 7 95.038 -21.849 25.615 1.00 0.00 H new ATOM 0 HA LYS B 7 96.153 -24.190 26.872 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.333 -21.511 25.992 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.309 -22.841 26.584 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.390 -24.322 24.776 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.412 -22.994 24.185 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.491 -21.636 23.794 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.469 -22.964 24.385 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.630 -24.437 22.565 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.558 -23.170 22.003 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.613 -23.214 20.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.497 -21.755 21.580 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.535 -22.983 22.126 1.00 0.00 H new ATOM 957 N ALA B 8 96.014 -21.396 28.607 1.00 0.00 N ATOM 958 CA ALA B 8 96.142 -20.842 29.987 1.00 0.00 C ATOM 959 C ALA B 8 95.108 -21.479 30.916 1.00 0.00 C ATOM 960 O ALA B 8 95.324 -21.606 32.104 1.00 0.00 O ATOM 961 CB ALA B 8 95.918 -19.331 29.945 1.00 0.00 C ATOM 0 H ALA B 8 95.653 -20.741 27.913 1.00 0.00 H new ATOM 0 HA ALA B 8 97.140 -21.063 30.365 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.010 -18.921 30.951 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.663 -18.871 29.296 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.921 -19.122 29.558 1.00 0.00 H new ATOM 967 N GLN B 9 93.979 -21.863 30.390 1.00 0.00 N ATOM 968 CA GLN B 9 92.924 -22.472 31.251 1.00 0.00 C ATOM 969 C GLN B 9 93.451 -23.776 31.865 1.00 0.00 C ATOM 970 O GLN B 9 94.066 -24.585 31.200 1.00 0.00 O ATOM 971 CB GLN B 9 91.690 -22.758 30.391 1.00 0.00 C ATOM 972 CG GLN B 9 90.579 -23.355 31.254 1.00 0.00 C ATOM 973 CD GLN B 9 89.347 -23.615 30.386 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.237 -23.092 29.294 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.413 -24.414 30.823 1.00 0.00 N ATOM 0 H GLN B 9 93.740 -21.782 29.402 1.00 0.00 H new ATOM 0 HA GLN B 9 92.657 -21.787 32.056 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.342 -21.838 29.922 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.948 -23.448 29.588 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.918 -24.284 31.711 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.328 -22.673 32.066 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.505 -24.853 31.739 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.591 -24.600 30.249 1.00 0.00 H new ATOM 984 N GLU B 10 93.218 -23.977 33.136 1.00 0.00 N ATOM 985 CA GLU B 10 93.709 -25.220 33.802 1.00 0.00 C ATOM 986 C GLU B 10 92.904 -25.472 35.082 1.00 0.00 C ATOM 987 O GLU B 10 92.239 -24.592 35.593 1.00 0.00 O ATOM 988 CB GLU B 10 95.192 -25.056 34.149 1.00 0.00 C ATOM 989 CG GLU B 10 95.752 -26.385 34.663 1.00 0.00 C ATOM 990 CD GLU B 10 97.278 -26.308 34.735 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.907 -26.435 33.698 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.791 -26.126 35.827 1.00 0.00 O ATOM 0 H GLU B 10 92.709 -23.334 33.742 1.00 0.00 H new ATOM 0 HA GLU B 10 93.584 -26.068 33.129 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.748 -24.732 33.269 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.315 -24.282 34.906 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.343 -26.606 35.649 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.450 -27.198 34.002 1.00 0.00 H new ATOM 999 N GLU B 11 92.958 -26.669 35.606 1.00 0.00 N ATOM 1000 CA GLU B 11 92.195 -26.980 36.852 1.00 0.00 C ATOM 1001 C GLU B 11 92.432 -25.869 37.881 1.00 0.00 C ATOM 1002 O GLU B 11 93.417 -25.161 37.819 1.00 0.00 O ATOM 1003 CB GLU B 11 92.678 -28.322 37.418 1.00 0.00 C ATOM 1004 CG GLU B 11 91.883 -28.668 38.681 1.00 0.00 C ATOM 1005 CD GLU B 11 92.286 -30.060 39.176 1.00 0.00 C ATOM 1006 OE1 GLU B 11 93.212 -30.140 39.967 1.00 0.00 O ATOM 1007 OE2 GLU B 11 91.662 -31.021 38.757 1.00 0.00 O ATOM 0 H GLU B 11 93.498 -27.446 35.225 1.00 0.00 H new ATOM 0 HA GLU B 11 91.130 -27.044 36.628 1.00 0.00 H new ATOM 0 HB2 GLU B 11 92.554 -29.107 36.672 1.00 0.00 H new ATOM 0 HB3 GLU B 11 93.742 -28.268 37.650 1.00 0.00 H new ATOM 0 HG2 GLU B 11 92.072 -27.926 39.457 1.00 0.00 H new ATOM 0 HG3 GLU B 11 90.814 -28.642 38.469 1.00 0.00 H new ATOM 1014 N HIS B 12 91.530 -25.696 38.814 1.00 0.00 N ATOM 1015 CA HIS B 12 91.703 -24.616 39.832 1.00 0.00 C ATOM 1016 C HIS B 12 92.930 -24.916 40.696 1.00 0.00 C ATOM 1017 O HIS B 12 92.832 -25.183 41.878 1.00 0.00 O ATOM 1018 CB HIS B 12 90.457 -24.553 40.713 1.00 0.00 C ATOM 1019 CG HIS B 12 90.677 -23.576 41.835 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.543 -22.205 41.664 1.00 0.00 N ATOM 1021 CD2 HIS B 12 90.997 -23.761 43.157 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.771 -21.623 42.862 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.052 -22.531 43.799 1.00 0.00 N ATOM 0 H HIS B 12 90.683 -26.255 38.915 1.00 0.00 H new ATOM 0 HA HIS B 12 91.845 -23.659 39.330 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.595 -24.251 40.119 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.235 -25.541 41.117 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.314 -21.725 40.794 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.178 -24.717 43.626 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.731 -20.558 43.039 1.00 0.00 H new ATOM 1031 N GLU B 13 94.083 -24.870 40.098 1.00 0.00 N ATOM 1032 CA GLU B 13 95.345 -25.143 40.837 1.00 0.00 C ATOM 1033 C GLU B 13 95.773 -23.891 41.614 1.00 0.00 C ATOM 1034 O GLU B 13 95.154 -22.850 41.525 1.00 0.00 O ATOM 1035 CB GLU B 13 96.419 -25.529 39.816 1.00 0.00 C ATOM 1036 CG GLU B 13 97.574 -26.270 40.500 1.00 0.00 C ATOM 1037 CD GLU B 13 98.489 -26.867 39.430 1.00 0.00 C ATOM 1038 OE1 GLU B 13 98.153 -26.756 38.262 1.00 0.00 O ATOM 1039 OE2 GLU B 13 99.513 -27.424 39.795 1.00 0.00 O ATOM 0 H GLU B 13 94.208 -24.651 39.110 1.00 0.00 H new ATOM 0 HA GLU B 13 95.202 -25.954 41.550 1.00 0.00 H new ATOM 0 HB2 GLU B 13 95.982 -26.161 39.042 1.00 0.00 H new ATOM 0 HB3 GLU B 13 96.796 -24.634 39.321 1.00 0.00 H new ATOM 0 HG2 GLU B 13 98.136 -25.586 41.136 1.00 0.00 H new ATOM 0 HG3 GLU B 13 97.186 -27.058 41.145 1.00 0.00 H new ATOM 1046 N LYS B 14 96.830 -23.990 42.375 1.00 0.00 N ATOM 1047 CA LYS B 14 97.315 -22.821 43.163 1.00 0.00 C ATOM 1048 C LYS B 14 97.729 -21.700 42.202 1.00 0.00 C ATOM 1049 O LYS B 14 97.708 -20.535 42.546 1.00 0.00 O ATOM 1050 CB LYS B 14 98.534 -23.247 43.984 1.00 0.00 C ATOM 1051 CG LYS B 14 98.111 -24.257 45.053 1.00 0.00 C ATOM 1052 CD LYS B 14 99.334 -24.679 45.870 1.00 0.00 C ATOM 1053 CE LYS B 14 98.913 -25.690 46.938 1.00 0.00 C ATOM 1054 NZ LYS B 14 100.127 -26.231 47.615 1.00 0.00 N ATOM 0 H LYS B 14 97.383 -24.840 42.485 1.00 0.00 H new ATOM 0 HA LYS B 14 96.524 -22.467 43.824 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.287 -23.688 43.331 1.00 0.00 H new ATOM 0 HB3 LYS B 14 98.990 -22.376 44.454 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.358 -23.817 45.707 1.00 0.00 H new ATOM 0 HG3 LYS B 14 97.655 -25.129 44.584 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.087 -25.118 45.216 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.789 -23.807 46.340 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.258 -25.213 47.668 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.345 -26.501 46.483 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.842 -26.919 48.341 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.735 -26.700 46.914 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.651 -25.452 48.062 1.00 0.00 H new ATOM 1068 N TYR B 15 98.115 -22.049 41.005 1.00 0.00 N ATOM 1069 CA TYR B 15 98.544 -21.016 40.019 1.00 0.00 C ATOM 1070 C TYR B 15 97.408 -20.013 39.783 1.00 0.00 C ATOM 1071 O TYR B 15 97.650 -18.858 39.489 1.00 0.00 O ATOM 1072 CB TYR B 15 98.910 -21.696 38.691 1.00 0.00 C ATOM 1073 CG TYR B 15 100.300 -22.284 38.777 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.481 -23.585 39.263 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.406 -21.530 38.366 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.768 -24.131 39.337 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.693 -22.076 38.443 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.873 -23.377 38.928 1.00 0.00 C ATOM 1079 OH TYR B 15 104.141 -23.917 38.999 1.00 0.00 O ATOM 0 H TYR B 15 98.152 -23.010 40.666 1.00 0.00 H new ATOM 0 HA TYR B 15 99.412 -20.487 40.411 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.188 -22.480 38.463 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.862 -20.973 37.877 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.628 -24.167 39.580 1.00 0.00 H new ATOM 0 HD2 TYR B 15 101.266 -20.527 37.990 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.908 -25.135 39.710 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.547 -21.494 38.128 1.00 0.00 H new ATOM 0 HH TYR B 15 104.794 -23.262 38.675 1.00 0.00 H new ATOM 1089 N HIS B 16 96.173 -20.426 39.900 1.00 0.00 N ATOM 1090 CA HIS B 16 95.062 -19.456 39.666 1.00 0.00 C ATOM 1091 C HIS B 16 95.183 -18.302 40.664 1.00 0.00 C ATOM 1092 O HIS B 16 94.992 -17.152 40.319 1.00 0.00 O ATOM 1093 CB HIS B 16 93.702 -20.150 39.861 1.00 0.00 C ATOM 1094 CG HIS B 16 93.335 -20.938 38.633 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.051 -21.441 38.430 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.059 -21.301 37.526 1.00 0.00 C ATOM 1097 CE1 HIS B 16 92.048 -22.070 37.239 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.245 -22.012 36.651 1.00 0.00 N ATOM 0 H HIS B 16 95.888 -21.375 40.143 1.00 0.00 H new ATOM 0 HA HIS B 16 95.128 -19.078 38.646 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.745 -20.812 40.726 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.933 -19.406 40.067 1.00 0.00 H new ATOM 0 HD1 HIS B 16 91.259 -21.350 39.066 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.101 -21.070 37.360 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.185 -22.560 36.813 1.00 0.00 H new ATOM 1106 N SER B 17 95.510 -18.586 41.894 1.00 0.00 N ATOM 1107 CA SER B 17 95.649 -17.483 42.883 1.00 0.00 C ATOM 1108 C SER B 17 96.764 -16.547 42.418 1.00 0.00 C ATOM 1109 O SER B 17 96.647 -15.340 42.489 1.00 0.00 O ATOM 1110 CB SER B 17 96.003 -18.061 44.254 1.00 0.00 C ATOM 1111 OG SER B 17 97.330 -18.571 44.218 1.00 0.00 O ATOM 0 H SER B 17 95.685 -19.524 42.254 1.00 0.00 H new ATOM 0 HA SER B 17 94.710 -16.935 42.961 1.00 0.00 H new ATOM 0 HB2 SER B 17 95.918 -17.290 45.020 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.303 -18.853 44.520 1.00 0.00 H new ATOM 0 HG SER B 17 97.354 -19.381 43.667 1.00 0.00 H new ATOM 1117 N ASN B 18 97.842 -17.098 41.922 1.00 0.00 N ATOM 1118 CA ASN B 18 98.964 -16.249 41.427 1.00 0.00 C ATOM 1119 C ASN B 18 98.774 -16.013 39.929 1.00 0.00 C ATOM 1120 O ASN B 18 99.379 -16.670 39.106 1.00 0.00 O ATOM 1121 CB ASN B 18 100.294 -16.965 41.666 1.00 0.00 C ATOM 1122 CG ASN B 18 100.592 -17.000 43.165 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.047 -16.222 43.923 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.440 -17.877 43.627 1.00 0.00 N ATOM 0 H ASN B 18 97.993 -18.103 41.839 1.00 0.00 H new ATOM 0 HA ASN B 18 98.971 -15.297 41.958 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.250 -17.979 41.269 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.096 -16.451 41.137 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.646 -17.910 44.625 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.897 -18.530 42.990 1.00 0.00 H new ATOM 1131 N TRP B 19 97.935 -15.086 39.570 1.00 0.00 N ATOM 1132 CA TRP B 19 97.697 -14.814 38.128 1.00 0.00 C ATOM 1133 C TRP B 19 98.943 -14.168 37.514 1.00 0.00 C ATOM 1134 O TRP B 19 99.176 -14.258 36.323 1.00 0.00 O ATOM 1135 CB TRP B 19 96.504 -13.872 37.971 1.00 0.00 C ATOM 1136 CG TRP B 19 96.807 -12.565 38.625 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.469 -12.229 39.891 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.505 -11.415 38.067 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.906 -10.942 40.142 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.553 -10.399 39.049 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.094 -11.158 36.815 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.160 -9.170 38.798 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.709 -9.924 36.561 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.742 -8.931 37.550 1.00 0.00 C ATOM 0 H TRP B 19 97.402 -14.503 40.215 1.00 0.00 H new ATOM 0 HA TRP B 19 97.485 -15.753 37.616 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.286 -13.719 36.914 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.615 -14.317 38.419 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.944 -12.862 40.591 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.768 -10.453 41.026 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.072 -11.916 36.046 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.181 -8.407 39.563 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.160 -9.737 35.598 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.217 -7.982 37.348 1.00 0.00 H new ATOM 1155 N ARG B 20 99.737 -13.505 38.309 1.00 0.00 N ATOM 1156 CA ARG B 20 100.951 -12.841 37.755 1.00 0.00 C ATOM 1157 C ARG B 20 101.868 -13.881 37.109 1.00 0.00 C ATOM 1158 O ARG B 20 102.431 -13.654 36.055 1.00 0.00 O ATOM 1159 CB ARG B 20 101.713 -12.150 38.891 1.00 0.00 C ATOM 1160 CG ARG B 20 100.921 -10.942 39.395 1.00 0.00 C ATOM 1161 CD ARG B 20 101.699 -10.269 40.528 1.00 0.00 C ATOM 1162 NE ARG B 20 100.940 -9.079 41.041 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.652 -8.063 40.272 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.135 -7.990 39.064 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.904 -7.094 40.730 1.00 0.00 N ATOM 0 H ARG B 20 99.599 -13.394 39.314 1.00 0.00 H new ATOM 0 HA ARG B 20 100.645 -12.110 37.007 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.880 -12.852 39.708 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.694 -11.831 38.540 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.755 -10.236 38.582 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.939 -11.257 39.749 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.866 -10.980 41.337 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.680 -9.957 40.170 1.00 0.00 H new ATOM 0 HE ARG B 20 100.641 -9.064 42.016 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.743 -8.730 38.712 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.905 -7.193 38.470 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.547 -7.133 41.685 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.677 -6.299 40.133 1.00 0.00 H new ATOM 1179 N ALA B 21 102.021 -15.023 37.721 1.00 0.00 N ATOM 1180 CA ALA B 21 102.900 -16.069 37.126 1.00 0.00 C ATOM 1181 C ALA B 21 102.331 -16.496 35.771 1.00 0.00 C ATOM 1182 O ALA B 21 103.055 -16.679 34.812 1.00 0.00 O ATOM 1183 CB ALA B 21 102.960 -17.283 38.058 1.00 0.00 C ATOM 0 H ALA B 21 101.577 -15.277 38.604 1.00 0.00 H new ATOM 0 HA ALA B 21 103.904 -15.667 36.993 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.603 -18.046 37.620 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.362 -16.980 39.025 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.957 -17.688 38.193 1.00 0.00 H new ATOM 1189 N MET B 22 101.038 -16.659 35.686 1.00 0.00 N ATOM 1190 CA MET B 22 100.421 -17.076 34.396 1.00 0.00 C ATOM 1191 C MET B 22 100.624 -15.979 33.347 1.00 0.00 C ATOM 1192 O MET B 22 100.927 -16.250 32.203 1.00 0.00 O ATOM 1193 CB MET B 22 98.926 -17.322 34.614 1.00 0.00 C ATOM 1194 CG MET B 22 98.282 -17.802 33.312 1.00 0.00 C ATOM 1195 SD MET B 22 96.570 -18.305 33.630 1.00 0.00 S ATOM 1196 CE MET B 22 95.958 -16.708 34.223 1.00 0.00 C ATOM 0 H MET B 22 100.383 -16.521 36.455 1.00 0.00 H new ATOM 0 HA MET B 22 100.892 -17.992 34.041 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.781 -18.066 35.397 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.443 -16.405 34.952 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.306 -17.006 32.568 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.847 -18.639 32.902 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.882 -16.648 34.060 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.170 -16.610 35.288 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.453 -15.904 33.679 1.00 0.00 H new ATOM 1206 N ALA B 23 100.473 -14.741 33.731 1.00 0.00 N ATOM 1207 CA ALA B 23 100.669 -13.632 32.755 1.00 0.00 C ATOM 1208 C ALA B 23 102.128 -13.613 32.304 1.00 0.00 C ATOM 1209 O ALA B 23 102.435 -13.393 31.148 1.00 0.00 O ATOM 1210 CB ALA B 23 100.334 -12.296 33.422 1.00 0.00 C ATOM 0 H ALA B 23 100.223 -14.450 34.676 1.00 0.00 H new ATOM 0 HA ALA B 23 100.016 -13.785 31.896 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.478 -11.486 32.707 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.296 -12.306 33.755 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.989 -12.143 34.280 1.00 0.00 H new ATOM 1216 N SER B 24 103.030 -13.840 33.219 1.00 0.00 N ATOM 1217 CA SER B 24 104.475 -13.834 32.869 1.00 0.00 C ATOM 1218 C SER B 24 104.804 -15.048 31.998 1.00 0.00 C ATOM 1219 O SER B 24 105.570 -14.959 31.060 1.00 0.00 O ATOM 1220 CB SER B 24 105.304 -13.883 34.154 1.00 0.00 C ATOM 1221 OG SER B 24 106.682 -13.979 33.820 1.00 0.00 O ATOM 0 H SER B 24 102.825 -14.030 34.200 1.00 0.00 H new ATOM 0 HA SER B 24 104.710 -12.925 32.315 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.124 -12.989 34.751 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.005 -14.737 34.761 1.00 0.00 H new ATOM 0 HG SER B 24 107.216 -14.009 34.641 1.00 0.00 H new ATOM 1227 N ASP B 25 104.238 -16.182 32.303 1.00 0.00 N ATOM 1228 CA ASP B 25 104.528 -17.398 31.492 1.00 0.00 C ATOM 1229 C ASP B 25 104.079 -17.170 30.049 1.00 0.00 C ATOM 1230 O ASP B 25 104.743 -17.565 29.111 1.00 0.00 O ATOM 1231 CB ASP B 25 103.776 -18.593 32.080 1.00 0.00 C ATOM 1232 CG ASP B 25 104.383 -18.964 33.435 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.478 -18.508 33.717 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.738 -19.695 34.168 1.00 0.00 O ATOM 0 H ASP B 25 103.588 -16.320 33.077 1.00 0.00 H new ATOM 0 HA ASP B 25 105.599 -17.599 31.509 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.720 -18.349 32.197 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.833 -19.442 31.399 1.00 0.00 H new ATOM 1239 N PHE B 26 102.949 -16.536 29.863 1.00 0.00 N ATOM 1240 CA PHE B 26 102.438 -16.275 28.480 1.00 0.00 C ATOM 1241 C PHE B 26 102.759 -14.832 28.069 1.00 0.00 C ATOM 1242 O PHE B 26 102.434 -14.402 26.979 1.00 0.00 O ATOM 1243 CB PHE B 26 100.920 -16.492 28.453 1.00 0.00 C ATOM 1244 CG PHE B 26 100.614 -17.970 28.556 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.660 -18.615 29.801 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.281 -18.696 27.405 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.374 -19.984 29.890 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.996 -20.064 27.496 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.043 -20.707 28.738 1.00 0.00 C ATOM 0 H PHE B 26 102.354 -16.185 30.614 1.00 0.00 H new ATOM 0 HA PHE B 26 102.919 -16.959 27.781 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.452 -15.956 29.278 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.501 -16.088 27.531 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.916 -18.057 30.690 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.244 -18.200 26.446 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.409 -20.481 30.848 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.740 -20.623 26.608 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.824 -21.762 28.808 1.00 0.00 H new ATOM 1259 N ASN B 27 103.398 -14.085 28.926 1.00 0.00 N ATOM 1260 CA ASN B 27 103.747 -12.674 28.583 1.00 0.00 C ATOM 1261 C ASN B 27 102.501 -11.920 28.109 1.00 0.00 C ATOM 1262 O ASN B 27 102.529 -11.226 27.112 1.00 0.00 O ATOM 1263 CB ASN B 27 104.802 -12.656 27.474 1.00 0.00 C ATOM 1264 CG ASN B 27 106.130 -13.183 28.022 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.745 -14.046 27.429 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.606 -12.692 29.136 1.00 0.00 N ATOM 0 H ASN B 27 103.695 -14.390 29.853 1.00 0.00 H new ATOM 0 HA ASN B 27 104.143 -12.186 29.473 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.474 -13.270 26.635 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.930 -11.642 27.096 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.493 -13.034 29.506 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.091 -11.967 29.635 1.00 0.00 H new ATOM 1273 N LEU B 28 101.412 -12.043 28.826 1.00 0.00 N ATOM 1274 CA LEU B 28 100.150 -11.329 28.444 1.00 0.00 C ATOM 1275 C LEU B 28 99.844 -10.288 29.525 1.00 0.00 C ATOM 1276 O LEU B 28 100.205 -10.469 30.671 1.00 0.00 O ATOM 1277 CB LEU B 28 98.995 -12.338 28.390 1.00 0.00 C ATOM 1278 CG LEU B 28 99.168 -13.283 27.191 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.247 -14.495 27.367 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.819 -12.556 25.875 1.00 0.00 C ATOM 0 H LEU B 28 101.341 -12.613 29.669 1.00 0.00 H new ATOM 0 HA LEU B 28 100.266 -10.852 27.471 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.963 -12.915 29.314 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.045 -11.810 28.311 1.00 0.00 H new ATOM 0 HG LEU B 28 100.207 -13.609 27.144 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.366 -15.169 26.518 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.508 -15.020 28.286 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.211 -14.160 27.422 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.947 -13.240 25.036 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.784 -12.216 25.911 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.479 -11.698 25.747 1.00 0.00 H new ATOM 1292 N PRO B 29 99.186 -9.204 29.188 1.00 0.00 N ATOM 1293 CA PRO B 29 98.852 -8.152 30.188 1.00 0.00 C ATOM 1294 C PRO B 29 97.780 -8.653 31.172 1.00 0.00 C ATOM 1295 O PRO B 29 96.950 -9.466 30.815 1.00 0.00 O ATOM 1296 CB PRO B 29 98.324 -6.993 29.329 1.00 0.00 C ATOM 1297 CG PRO B 29 97.783 -7.648 28.102 1.00 0.00 C ATOM 1298 CD PRO B 29 98.686 -8.858 27.842 1.00 0.00 C ATOM 0 HA PRO B 29 99.703 -7.863 30.805 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.550 -6.432 29.853 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.118 -6.288 29.084 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.748 -7.957 28.248 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.795 -6.962 27.255 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.133 -9.684 27.394 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.501 -8.613 27.161 1.00 0.00 H new ATOM 1306 N PRO B 30 97.784 -8.188 32.399 1.00 0.00 N ATOM 1307 CA PRO B 30 96.784 -8.626 33.411 1.00 0.00 C ATOM 1308 C PRO B 30 95.373 -8.760 32.820 1.00 0.00 C ATOM 1309 O PRO B 30 94.521 -9.427 33.365 1.00 0.00 O ATOM 1310 CB PRO B 30 96.829 -7.507 34.461 1.00 0.00 C ATOM 1311 CG PRO B 30 98.224 -6.961 34.393 1.00 0.00 C ATOM 1312 CD PRO B 30 98.728 -7.199 32.959 1.00 0.00 C ATOM 0 HA PRO B 30 97.014 -9.613 33.812 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.092 -6.734 34.244 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.604 -7.891 35.456 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.235 -5.898 34.635 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.869 -7.459 35.117 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.728 -6.276 32.379 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.750 -7.578 32.954 1.00 0.00 H new ATOM 1320 N VAL B 31 95.113 -8.115 31.717 1.00 0.00 N ATOM 1321 CA VAL B 31 93.752 -8.190 31.114 1.00 0.00 C ATOM 1322 C VAL B 31 93.357 -9.638 30.853 1.00 0.00 C ATOM 1323 O VAL B 31 92.355 -10.117 31.347 1.00 0.00 O ATOM 1324 CB VAL B 31 93.746 -7.422 29.788 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.362 -7.511 29.136 1.00 0.00 C ATOM 1326 CG2 VAL B 31 94.092 -5.955 30.049 1.00 0.00 C ATOM 0 H VAL B 31 95.783 -7.539 31.207 1.00 0.00 H new ATOM 0 HA VAL B 31 93.037 -7.751 31.810 1.00 0.00 H new ATOM 0 HB VAL B 31 94.485 -7.861 29.118 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.367 -6.962 28.194 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.116 -8.556 28.946 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.617 -7.078 29.804 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.088 -5.407 29.107 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.354 -5.522 30.724 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.081 -5.890 30.503 1.00 0.00 H new ATOM 1336 N VAL B 32 94.121 -10.338 30.070 1.00 0.00 N ATOM 1337 CA VAL B 32 93.760 -11.750 29.772 1.00 0.00 C ATOM 1338 C VAL B 32 93.830 -12.568 31.060 1.00 0.00 C ATOM 1339 O VAL B 32 92.979 -13.391 31.333 1.00 0.00 O ATOM 1340 CB VAL B 32 94.729 -12.321 28.729 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.522 -13.838 28.599 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.468 -11.646 27.380 1.00 0.00 C ATOM 0 H VAL B 32 94.974 -9.999 29.625 1.00 0.00 H new ATOM 0 HA VAL B 32 92.747 -11.796 29.372 1.00 0.00 H new ATOM 0 HB VAL B 32 95.755 -12.130 29.042 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.213 -14.237 27.857 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.708 -14.314 29.562 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.498 -14.040 28.286 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.154 -12.047 26.634 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.441 -11.838 27.070 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.623 -10.571 27.475 1.00 0.00 H new ATOM 1352 N ALA B 33 94.836 -12.347 31.855 1.00 0.00 N ATOM 1353 CA ALA B 33 94.959 -13.109 33.127 1.00 0.00 C ATOM 1354 C ALA B 33 93.771 -12.793 34.042 1.00 0.00 C ATOM 1355 O ALA B 33 93.186 -13.675 34.639 1.00 0.00 O ATOM 1356 CB ALA B 33 96.266 -12.725 33.825 1.00 0.00 C ATOM 0 H ALA B 33 95.580 -11.671 31.680 1.00 0.00 H new ATOM 0 HA ALA B 33 94.963 -14.177 32.909 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.358 -13.282 34.757 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.109 -12.962 33.176 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.263 -11.656 34.040 1.00 0.00 H new ATOM 1362 N LYS B 34 93.411 -11.543 34.164 1.00 0.00 N ATOM 1363 CA LYS B 34 92.266 -11.191 35.049 1.00 0.00 C ATOM 1364 C LYS B 34 90.977 -11.814 34.496 1.00 0.00 C ATOM 1365 O LYS B 34 90.147 -12.298 35.239 1.00 0.00 O ATOM 1366 CB LYS B 34 92.125 -9.664 35.117 1.00 0.00 C ATOM 1367 CG LYS B 34 93.309 -9.050 35.889 1.00 0.00 C ATOM 1368 CD LYS B 34 93.077 -9.125 37.404 1.00 0.00 C ATOM 1369 CE LYS B 34 94.254 -8.460 38.123 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.419 -7.067 37.619 1.00 0.00 N ATOM 0 H LYS B 34 93.857 -10.756 33.692 1.00 0.00 H new ATOM 0 HA LYS B 34 92.445 -11.579 36.052 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.086 -9.251 34.109 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.187 -9.400 35.606 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.228 -9.577 35.632 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.443 -8.011 35.589 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.145 -8.626 37.667 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.982 -10.164 37.719 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.079 -8.451 39.199 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.167 -9.030 37.953 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.920 -6.497 38.331 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.969 -7.080 36.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.484 -6.650 37.438 1.00 0.00 H new ATOM 1384 N GLU B 35 90.799 -11.801 33.199 1.00 0.00 N ATOM 1385 CA GLU B 35 89.555 -12.385 32.611 1.00 0.00 C ATOM 1386 C GLU B 35 89.460 -13.877 32.949 1.00 0.00 C ATOM 1387 O GLU B 35 88.399 -14.384 33.250 1.00 0.00 O ATOM 1388 CB GLU B 35 89.584 -12.214 31.088 1.00 0.00 C ATOM 1389 CG GLU B 35 88.177 -12.423 30.511 1.00 0.00 C ATOM 1390 CD GLU B 35 87.808 -13.906 30.585 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.406 -14.682 29.856 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.934 -14.241 31.367 1.00 0.00 O ATOM 0 H GLU B 35 91.458 -11.413 32.524 1.00 0.00 H new ATOM 0 HA GLU B 35 88.690 -11.869 33.027 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.947 -11.219 30.832 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.277 -12.930 30.646 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.452 -11.829 31.068 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.142 -12.080 29.477 1.00 0.00 H new ATOM 1399 N ILE B 36 90.555 -14.587 32.899 1.00 0.00 N ATOM 1400 CA ILE B 36 90.509 -16.043 33.216 1.00 0.00 C ATOM 1401 C ILE B 36 90.055 -16.223 34.665 1.00 0.00 C ATOM 1402 O ILE B 36 89.284 -17.106 34.984 1.00 0.00 O ATOM 1403 CB ILE B 36 91.903 -16.647 33.025 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.240 -16.675 31.532 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.934 -18.075 33.580 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.738 -16.926 31.354 1.00 0.00 C ATOM 0 H ILE B 36 91.476 -14.223 32.653 1.00 0.00 H new ATOM 0 HA ILE B 36 89.808 -16.548 32.552 1.00 0.00 H new ATOM 0 HB ILE B 36 92.635 -16.040 33.558 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.667 -17.457 31.033 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.961 -15.730 31.067 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.929 -18.498 33.441 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.693 -18.058 34.643 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.202 -18.687 33.052 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.980 -16.946 30.291 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.301 -16.128 31.839 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.003 -17.883 31.805 1.00 0.00 H new ATOM 1418 N VAL B 37 90.530 -15.386 35.542 1.00 0.00 N ATOM 1419 CA VAL B 37 90.134 -15.491 36.971 1.00 0.00 C ATOM 1420 C VAL B 37 88.627 -15.250 37.083 1.00 0.00 C ATOM 1421 O VAL B 37 87.932 -15.903 37.836 1.00 0.00 O ATOM 1422 CB VAL B 37 90.892 -14.431 37.775 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.329 -14.349 39.195 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.374 -14.807 37.833 1.00 0.00 C ATOM 0 H VAL B 37 91.180 -14.629 35.328 1.00 0.00 H new ATOM 0 HA VAL B 37 90.374 -16.480 37.361 1.00 0.00 H new ATOM 0 HB VAL B 37 90.776 -13.461 37.291 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.874 -13.593 39.759 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.274 -14.080 39.153 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.437 -15.316 39.686 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.918 -14.055 38.405 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.484 -15.779 38.314 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.777 -14.855 36.821 1.00 0.00 H new ATOM 1434 N ALA B 38 88.124 -14.314 36.330 1.00 0.00 N ATOM 1435 CA ALA B 38 86.667 -14.010 36.372 1.00 0.00 C ATOM 1436 C ALA B 38 85.883 -15.181 35.776 1.00 0.00 C ATOM 1437 O ALA B 38 84.762 -15.448 36.155 1.00 0.00 O ATOM 1438 CB ALA B 38 86.395 -12.746 35.556 1.00 0.00 C ATOM 0 H ALA B 38 88.664 -13.741 35.681 1.00 0.00 H new ATOM 0 HA ALA B 38 86.354 -13.855 37.405 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.329 -12.518 35.583 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.955 -11.912 35.979 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.706 -12.905 34.524 1.00 0.00 H new ATOM 1444 N SER B 39 86.463 -15.879 34.841 1.00 0.00 N ATOM 1445 CA SER B 39 85.745 -17.028 34.222 1.00 0.00 C ATOM 1446 C SER B 39 85.637 -18.164 35.243 1.00 0.00 C ATOM 1447 O SER B 39 84.627 -18.832 35.339 1.00 0.00 O ATOM 1448 CB SER B 39 86.516 -17.510 32.991 1.00 0.00 C ATOM 1449 OG SER B 39 86.496 -16.492 31.997 1.00 0.00 O ATOM 0 H SER B 39 87.401 -15.705 34.479 1.00 0.00 H new ATOM 0 HA SER B 39 84.746 -16.716 33.918 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.544 -17.750 33.262 1.00 0.00 H new ATOM 0 HB3 SER B 39 86.068 -18.424 32.601 1.00 0.00 H new ATOM 0 HG SER B 39 87.005 -15.716 32.313 1.00 0.00 H new ATOM 1455 N CYS B 40 86.671 -18.385 36.009 1.00 0.00 N ATOM 1456 CA CYS B 40 86.627 -19.475 37.028 1.00 0.00 C ATOM 1457 C CYS B 40 85.784 -19.019 38.226 1.00 0.00 C ATOM 1458 O CYS B 40 86.179 -18.156 38.985 1.00 0.00 O ATOM 1459 CB CYS B 40 88.053 -19.790 37.489 1.00 0.00 C ATOM 1460 SG CYS B 40 88.040 -21.229 38.590 1.00 0.00 S ATOM 0 H CYS B 40 87.544 -17.859 35.974 1.00 0.00 H new ATOM 0 HA CYS B 40 86.180 -20.369 36.594 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.689 -19.987 36.626 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.476 -18.929 38.006 1.00 0.00 H new ATOM 0 HG CYS B 40 87.090 -21.096 39.467 1.00 0.00 H new ATOM 1465 N ASP B 41 84.621 -19.591 38.390 1.00 0.00 N ATOM 1466 CA ASP B 41 83.730 -19.201 39.528 1.00 0.00 C ATOM 1467 C ASP B 41 84.411 -19.465 40.872 1.00 0.00 C ATOM 1468 O ASP B 41 84.276 -18.695 41.803 1.00 0.00 O ATOM 1469 CB ASP B 41 82.424 -19.994 39.462 1.00 0.00 C ATOM 1470 CG ASP B 41 81.593 -19.511 38.273 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.882 -19.928 37.164 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.680 -18.733 38.493 1.00 0.00 O ATOM 0 H ASP B 41 84.245 -20.318 37.781 1.00 0.00 H new ATOM 0 HA ASP B 41 83.521 -18.135 39.444 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.637 -21.058 39.362 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.862 -19.867 40.387 1.00 0.00 H new ATOM 1477 N LYS B 42 85.112 -20.555 41.001 1.00 0.00 N ATOM 1478 CA LYS B 42 85.756 -20.864 42.308 1.00 0.00 C ATOM 1479 C LYS B 42 86.722 -19.735 42.676 1.00 0.00 C ATOM 1480 O LYS B 42 86.809 -19.334 43.818 1.00 0.00 O ATOM 1481 CB LYS B 42 86.534 -22.181 42.210 1.00 0.00 C ATOM 1482 CG LYS B 42 85.558 -23.355 42.083 1.00 0.00 C ATOM 1483 CD LYS B 42 86.342 -24.667 41.986 1.00 0.00 C ATOM 1484 CE LYS B 42 85.374 -25.839 41.790 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.722 -26.174 43.085 1.00 0.00 N ATOM 0 H LYS B 42 85.267 -21.242 40.263 1.00 0.00 H new ATOM 0 HA LYS B 42 84.985 -20.958 43.073 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.201 -22.156 41.348 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.159 -22.311 43.093 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.891 -23.381 42.945 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.933 -23.227 41.199 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.044 -24.621 41.154 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.930 -24.817 42.891 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.619 -25.579 41.048 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.911 -26.707 41.407 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.105 -27.002 42.959 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.451 -26.390 43.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.154 -25.365 43.407 1.00 0.00 H new ATOM 1499 N CYS B 43 87.444 -19.215 41.722 1.00 0.00 N ATOM 1500 CA CYS B 43 88.394 -18.110 42.036 1.00 0.00 C ATOM 1501 C CYS B 43 87.633 -16.792 42.213 1.00 0.00 C ATOM 1502 O CYS B 43 88.019 -15.939 42.986 1.00 0.00 O ATOM 1503 CB CYS B 43 89.379 -17.933 40.882 1.00 0.00 C ATOM 1504 SG CYS B 43 90.363 -19.432 40.675 1.00 0.00 S ATOM 0 H CYS B 43 87.418 -19.505 40.744 1.00 0.00 H new ATOM 0 HA CYS B 43 88.922 -18.364 42.955 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.838 -17.713 39.962 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.033 -17.083 41.078 1.00 0.00 H new ATOM 0 HG CYS B 43 89.774 -20.224 39.829 1.00 0.00 H new ATOM 1509 N GLN B 44 86.576 -16.601 41.468 1.00 0.00 N ATOM 1510 CA GLN B 44 85.818 -15.315 41.555 1.00 0.00 C ATOM 1511 C GLN B 44 84.881 -15.287 42.767 1.00 0.00 C ATOM 1512 O GLN B 44 85.097 -14.558 43.715 1.00 0.00 O ATOM 1513 CB GLN B 44 84.981 -15.153 40.282 1.00 0.00 C ATOM 1514 CG GLN B 44 84.307 -13.778 40.268 1.00 0.00 C ATOM 1515 CD GLN B 44 83.425 -13.658 39.024 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.576 -12.794 38.948 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.587 -14.500 38.041 1.00 0.00 N ATOM 0 H GLN B 44 86.204 -17.279 40.803 1.00 0.00 H new ATOM 0 HA GLN B 44 86.537 -14.503 41.663 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.616 -15.265 39.403 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.226 -15.937 40.231 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.706 -13.646 41.168 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.061 -12.991 40.270 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.300 -15.226 38.104 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.000 -14.432 37.209 1.00 0.00 H new