USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=22 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= -0.728 X(o=-3.7,f=-3.6!) USER MOD Set 1.2: B 44 GLN : amide:sc= -3.01! X(o=-3.7!,f=-3.6) USER MOD Set 2.1: B 12 HIS : no HD1:sc= -3.49! C(o=-2.7!,f=-4.9!) USER MOD Set 2.2: B 16 HIS : no HD1:sc= 0.006 K(o=-2.7,f=-4.7) USER MOD Set 2.3: B 22 MET CE :methyl -162:sc= -0.214 (180deg=-1.52) USER MOD Set 2.4: B 40 CYS SG : rot -143:sc= 0.786 USER MOD Set 2.5: B 43 CYS SG : rot 180:sc= 0.172 USER MOD Set 3.1: A 12 HIS : no HD1:sc= -3.43! C(o=-2.7!,f=-4.8!) USER MOD Set 3.2: A 16 HIS : no HD1:sc= 0.00702 K(o=-2.7,f=-4.7) USER MOD Set 3.3: A 22 MET CE :methyl -162:sc= -0.204 (180deg=-1.5) USER MOD Set 3.4: A 40 CYS SG : rot -143:sc= 0.746 USER MOD Set 3.5: A 43 CYS SG : rot 180:sc= 0.161 USER MOD Single : A 1 PHE N :NH3+ 155:sc= 0.499 (180deg=0.141) USER MOD Single : A 7 LYS NZ :NH3+ -164:sc= -0.0118 (180deg=-0.295) USER MOD Single : A 9 GLN : amide:sc= -0.0186 K(o=-0.019,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.469 USER MOD Single : A 17 SER OG : rot 173:sc= -0.55 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.695 X(o=-0.69,f=-0.64) USER MOD Single : A 34 LYS NZ :NH3+ -131:sc= -0.992 (180deg=-3.11!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= -0.193 (180deg=-0.99) USER MOD Single : B 1 PHE N :NH3+ 152:sc= 0.473 (180deg=0.115) USER MOD Single : B 7 LYS NZ :NH3+ -164:sc= -0.0583 (180deg=-0.433) USER MOD Single : B 9 GLN : amide:sc= -0.0235 K(o=-0.024,f=-1.2) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.473 USER MOD Single : B 17 SER OG : rot 180:sc= -0.561 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.584 X(o=-0.58,f=-0.76) USER MOD Single : B 34 LYS NZ :NH3+ -123:sc= -1.24 (180deg=-3.26!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 148:sc= -0.159 (180deg=-0.999) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.976 -3.727 24.380 1.00 0.00 N ATOM 2 CA PHE A 1 94.374 -4.299 25.618 1.00 0.00 C ATOM 3 C PHE A 1 94.065 -3.183 26.619 1.00 0.00 C ATOM 4 O PHE A 1 92.923 -2.902 26.919 1.00 0.00 O ATOM 5 CB PHE A 1 95.361 -5.277 26.262 1.00 0.00 C ATOM 6 CG PHE A 1 95.427 -6.554 25.459 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.323 -6.659 24.389 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.603 -7.639 25.795 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.397 -7.848 23.654 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.677 -8.824 25.058 1.00 0.00 C ATOM 11 CZ PHE A 1 95.574 -8.930 23.987 1.00 0.00 C ATOM 0 H1 PHE A 1 95.553 -4.452 23.908 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.219 -3.415 23.738 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.576 -2.915 24.629 1.00 0.00 H new ATOM 0 HA PHE A 1 93.452 -4.816 25.352 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.350 -4.823 26.319 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.052 -5.497 27.284 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.957 -5.823 24.131 1.00 0.00 H new ATOM 0 HD2 PHE A 1 93.913 -7.558 26.622 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.090 -7.931 22.829 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.042 -9.659 25.314 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.630 -9.846 23.418 1.00 0.00 H new ATOM 23 N LEU A 2 95.078 -2.576 27.170 1.00 0.00 N ATOM 24 CA LEU A 2 94.855 -1.511 28.189 1.00 0.00 C ATOM 25 C LEU A 2 94.321 -0.226 27.549 1.00 0.00 C ATOM 26 O LEU A 2 93.440 0.418 28.081 1.00 0.00 O ATOM 27 CB LEU A 2 96.184 -1.201 28.872 1.00 0.00 C ATOM 28 CG LEU A 2 96.858 -2.502 29.317 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.160 -2.167 30.053 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.918 -3.286 30.248 1.00 0.00 C ATOM 0 H LEU A 2 96.056 -2.772 26.958 1.00 0.00 H new ATOM 0 HA LEU A 2 94.118 -1.871 28.907 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.837 -0.659 28.188 1.00 0.00 H new ATOM 0 HB3 LEU A 2 96.018 -0.554 29.734 1.00 0.00 H new ATOM 0 HG LEU A 2 97.080 -3.115 28.444 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.645 -3.089 30.373 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.825 -1.620 29.385 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.937 -1.553 30.926 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.404 -4.210 30.561 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.688 -2.682 31.126 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.995 -3.522 29.718 1.00 0.00 H new ATOM 42 N ASP A 3 94.869 0.177 26.438 1.00 0.00 N ATOM 43 CA ASP A 3 94.404 1.447 25.807 1.00 0.00 C ATOM 44 C ASP A 3 92.963 1.316 25.303 1.00 0.00 C ATOM 45 O ASP A 3 92.132 2.169 25.550 1.00 0.00 O ATOM 46 CB ASP A 3 95.316 1.796 24.632 1.00 0.00 C ATOM 47 CG ASP A 3 94.993 3.212 24.155 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.044 3.786 24.666 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.701 3.701 23.291 1.00 0.00 O ATOM 0 H ASP A 3 95.613 -0.312 25.941 1.00 0.00 H new ATOM 0 HA ASP A 3 94.440 2.235 26.559 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.361 1.730 24.934 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.173 1.083 23.820 1.00 0.00 H new ATOM 54 N GLY A 4 92.659 0.269 24.592 1.00 0.00 N ATOM 55 CA GLY A 4 91.270 0.109 24.067 1.00 0.00 C ATOM 56 C GLY A 4 90.282 0.021 25.229 1.00 0.00 C ATOM 57 O GLY A 4 89.252 0.666 25.235 1.00 0.00 O ATOM 0 H GLY A 4 93.306 -0.482 24.351 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.015 0.952 23.425 1.00 0.00 H new ATOM 0 HA3 GLY A 4 91.205 -0.790 23.454 1.00 0.00 H new ATOM 61 N ILE A 5 90.581 -0.786 26.205 1.00 0.00 N ATOM 62 CA ILE A 5 89.667 -0.928 27.369 1.00 0.00 C ATOM 63 C ILE A 5 89.476 0.422 28.054 1.00 0.00 C ATOM 64 O ILE A 5 88.396 0.751 28.488 1.00 0.00 O ATOM 65 CB ILE A 5 90.257 -1.933 28.351 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.206 -3.331 27.724 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.456 -1.928 29.659 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.000 -4.340 28.570 1.00 0.00 C ATOM 0 H ILE A 5 91.425 -1.357 26.247 1.00 0.00 H new ATOM 0 HA ILE A 5 88.696 -1.283 27.025 1.00 0.00 H new ATOM 0 HB ILE A 5 91.289 -1.660 28.571 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.170 -3.658 27.638 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.614 -3.296 26.714 1.00 0.00 H new ATOM 0 HG21 ILE A 5 89.887 -2.650 30.352 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.491 -0.933 30.103 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.420 -2.197 29.452 1.00 0.00 H new ATOM 0 HD11 ILE A 5 90.949 -5.324 28.105 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.041 -4.022 28.634 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.574 -4.390 29.572 1.00 0.00 H new ATOM 80 N ASP A 6 90.510 1.203 28.177 1.00 0.00 N ATOM 81 CA ASP A 6 90.343 2.515 28.856 1.00 0.00 C ATOM 82 C ASP A 6 89.203 3.282 28.188 1.00 0.00 C ATOM 83 O ASP A 6 88.356 3.852 28.848 1.00 0.00 O ATOM 84 CB ASP A 6 91.638 3.321 28.743 1.00 0.00 C ATOM 85 CG ASP A 6 92.725 2.676 29.604 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.409 1.736 30.316 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.853 3.135 29.540 1.00 0.00 O ATOM 0 H ASP A 6 91.451 0.994 27.842 1.00 0.00 H new ATOM 0 HA ASP A 6 90.111 2.356 29.909 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.962 3.363 27.703 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.467 4.348 29.065 1.00 0.00 H new ATOM 92 N LYS A 7 89.150 3.281 26.884 1.00 0.00 N ATOM 93 CA LYS A 7 88.041 3.998 26.193 1.00 0.00 C ATOM 94 C LYS A 7 86.733 3.245 26.438 1.00 0.00 C ATOM 95 O LYS A 7 85.719 3.834 26.757 1.00 0.00 O ATOM 96 CB LYS A 7 88.323 4.056 24.687 1.00 0.00 C ATOM 97 CG LYS A 7 89.633 4.805 24.439 1.00 0.00 C ATOM 98 CD LYS A 7 89.815 5.028 22.938 1.00 0.00 C ATOM 99 CE LYS A 7 91.185 5.657 22.676 1.00 0.00 C ATOM 100 NZ LYS A 7 91.242 7.002 23.316 1.00 0.00 N ATOM 0 H LYS A 7 89.821 2.818 26.271 1.00 0.00 H new ATOM 0 HA LYS A 7 87.962 5.013 26.582 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.386 3.047 24.280 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.503 4.557 24.172 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.622 5.762 24.961 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.472 4.234 24.837 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.731 4.080 22.406 1.00 0.00 H new ATOM 0 HD3 LYS A 7 89.026 5.678 22.558 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.973 5.018 23.075 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.358 5.745 21.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.042 7.539 22.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 90.356 7.514 23.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 91.367 6.893 24.343 1.00 0.00 H new ATOM 114 N ALA A 8 86.751 1.948 26.302 1.00 0.00 N ATOM 115 CA ALA A 8 85.511 1.157 26.540 1.00 0.00 C ATOM 116 C ALA A 8 85.131 1.247 28.013 1.00 0.00 C ATOM 117 O ALA A 8 83.970 1.241 28.369 1.00 0.00 O ATOM 118 CB ALA A 8 85.744 -0.305 26.151 1.00 0.00 C ATOM 0 H ALA A 8 87.570 1.402 26.036 1.00 0.00 H new ATOM 0 HA ALA A 8 84.701 1.559 25.931 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.834 -0.878 26.327 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.010 -0.363 25.096 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.554 -0.717 26.753 1.00 0.00 H new ATOM 124 N GLN A 9 86.102 1.321 28.877 1.00 0.00 N ATOM 125 CA GLN A 9 85.784 1.404 30.323 1.00 0.00 C ATOM 126 C GLN A 9 84.919 2.637 30.576 1.00 0.00 C ATOM 127 O GLN A 9 83.976 2.595 31.342 1.00 0.00 O ATOM 128 CB GLN A 9 87.081 1.500 31.134 1.00 0.00 C ATOM 129 CG GLN A 9 86.758 1.333 32.619 1.00 0.00 C ATOM 130 CD GLN A 9 88.011 1.599 33.457 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.829 2.422 33.102 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.192 0.936 34.567 1.00 0.00 N ATOM 0 H GLN A 9 87.095 1.327 28.645 1.00 0.00 H new ATOM 0 HA GLN A 9 85.241 0.510 30.631 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.783 0.730 30.813 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.562 2.462 30.960 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.964 2.022 32.907 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.390 0.325 32.809 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.505 0.244 34.866 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.021 1.110 35.136 1.00 0.00 H new ATOM 141 N GLU A 10 85.215 3.732 29.925 1.00 0.00 N ATOM 142 CA GLU A 10 84.382 4.950 30.131 1.00 0.00 C ATOM 143 C GLU A 10 82.953 4.651 29.674 1.00 0.00 C ATOM 144 O GLU A 10 81.996 5.017 30.323 1.00 0.00 O ATOM 145 CB GLU A 10 84.949 6.113 29.313 1.00 0.00 C ATOM 146 CG GLU A 10 84.279 7.414 29.758 1.00 0.00 C ATOM 147 CD GLU A 10 84.808 7.815 31.137 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.689 7.133 31.633 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.321 8.798 31.674 1.00 0.00 O ATOM 0 H GLU A 10 85.988 3.834 29.268 1.00 0.00 H new ATOM 0 HA GLU A 10 84.387 5.225 31.186 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.028 6.179 29.452 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.775 5.945 28.250 1.00 0.00 H new ATOM 0 HG2 GLU A 10 84.480 8.205 29.035 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.197 7.284 29.795 1.00 0.00 H new ATOM 156 N GLU A 11 82.805 3.977 28.564 1.00 0.00 N ATOM 157 CA GLU A 11 81.438 3.641 28.070 1.00 0.00 C ATOM 158 C GLU A 11 80.737 2.786 29.121 1.00 0.00 C ATOM 159 O GLU A 11 79.572 2.966 29.407 1.00 0.00 O ATOM 160 CB GLU A 11 81.552 2.863 26.753 1.00 0.00 C ATOM 161 CG GLU A 11 80.195 2.829 26.038 1.00 0.00 C ATOM 162 CD GLU A 11 79.884 4.212 25.464 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.817 4.979 25.286 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.722 4.477 25.208 1.00 0.00 O ATOM 0 H GLU A 11 83.571 3.645 27.979 1.00 0.00 H new ATOM 0 HA GLU A 11 80.864 4.551 27.896 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.298 3.330 26.110 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.892 1.847 26.951 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.212 2.088 25.239 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.413 2.529 26.735 1.00 0.00 H new ATOM 171 N HIS A 12 81.445 1.853 29.700 1.00 0.00 N ATOM 172 CA HIS A 12 80.819 0.990 30.741 1.00 0.00 C ATOM 173 C HIS A 12 80.348 1.846 31.910 1.00 0.00 C ATOM 174 O HIS A 12 79.244 1.710 32.385 1.00 0.00 O ATOM 175 CB HIS A 12 81.832 -0.023 31.277 1.00 0.00 C ATOM 176 CG HIS A 12 81.114 -0.912 32.254 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.779 -2.241 31.962 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.572 -0.647 33.486 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.052 -2.713 33.001 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.913 -1.772 33.927 1.00 0.00 N ATOM 0 H HIS A 12 82.424 1.653 29.498 1.00 0.00 H new ATOM 0 HA HIS A 12 79.977 0.469 30.285 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.253 -0.612 30.462 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.663 0.488 31.763 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.649 0.288 34.021 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.644 -3.711 33.067 1.00 0.00 H new ATOM 0 HE2 HIS A 12 79.408 -1.866 34.808 1.00 0.00 H new ATOM 188 N GLU A 13 81.184 2.720 32.385 1.00 0.00 N ATOM 189 CA GLU A 13 80.792 3.573 33.542 1.00 0.00 C ATOM 190 C GLU A 13 79.566 4.417 33.180 1.00 0.00 C ATOM 191 O GLU A 13 78.674 4.610 33.986 1.00 0.00 O ATOM 192 CB GLU A 13 81.959 4.494 33.899 1.00 0.00 C ATOM 193 CG GLU A 13 81.674 5.202 35.226 1.00 0.00 C ATOM 194 CD GLU A 13 81.845 4.212 36.381 1.00 0.00 C ATOM 195 OE1 GLU A 13 82.182 3.071 36.110 1.00 0.00 O ATOM 196 OE2 GLU A 13 81.639 4.613 37.513 1.00 0.00 O ATOM 0 H GLU A 13 82.124 2.883 32.024 1.00 0.00 H new ATOM 0 HA GLU A 13 80.545 2.939 34.393 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.880 3.916 33.975 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.109 5.230 33.109 1.00 0.00 H new ATOM 0 HG2 GLU A 13 82.352 6.046 35.353 1.00 0.00 H new ATOM 0 HG3 GLU A 13 80.661 5.605 35.225 1.00 0.00 H new ATOM 203 N LYS A 14 79.532 4.949 31.993 1.00 0.00 N ATOM 204 CA LYS A 14 78.384 5.805 31.581 1.00 0.00 C ATOM 205 C LYS A 14 77.043 5.054 31.607 1.00 0.00 C ATOM 206 O LYS A 14 76.020 5.641 31.898 1.00 0.00 O ATOM 207 CB LYS A 14 78.632 6.341 30.170 1.00 0.00 C ATOM 208 CG LYS A 14 79.800 7.337 30.200 1.00 0.00 C ATOM 209 CD LYS A 14 80.211 7.716 28.769 1.00 0.00 C ATOM 210 CE LYS A 14 79.227 8.738 28.188 1.00 0.00 C ATOM 211 NZ LYS A 14 79.702 9.174 26.842 1.00 0.00 N ATOM 0 H LYS A 14 80.255 4.828 31.284 1.00 0.00 H new ATOM 0 HA LYS A 14 78.315 6.621 32.301 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.858 5.519 29.491 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.734 6.829 29.791 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.511 8.231 30.752 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.648 6.898 30.726 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.219 8.131 28.770 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.234 6.825 28.141 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.233 8.298 28.110 1.00 0.00 H new ATOM 0 HE3 LYS A 14 79.144 9.598 28.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 79.035 9.867 26.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 80.643 9.609 26.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.759 8.350 26.210 1.00 0.00 H new ATOM 225 N TYR A 15 77.016 3.782 31.263 1.00 0.00 N ATOM 226 CA TYR A 15 75.701 3.044 31.223 1.00 0.00 C ATOM 227 C TYR A 15 75.786 1.639 31.853 1.00 0.00 C ATOM 228 O TYR A 15 74.798 0.935 31.909 1.00 0.00 O ATOM 229 CB TYR A 15 75.294 2.886 29.754 1.00 0.00 C ATOM 230 CG TYR A 15 75.570 4.171 29.006 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.599 5.180 28.969 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.793 4.349 28.337 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.850 6.365 28.268 1.00 0.00 C ATOM 234 CE2 TYR A 15 77.039 5.534 27.634 1.00 0.00 C ATOM 235 CZ TYR A 15 76.071 6.541 27.599 1.00 0.00 C ATOM 236 OH TYR A 15 76.312 7.707 26.904 1.00 0.00 O ATOM 0 H TYR A 15 77.835 3.228 31.011 1.00 0.00 H new ATOM 0 HA TYR A 15 74.975 3.620 31.797 1.00 0.00 H new ATOM 0 HB2 TYR A 15 75.847 2.064 29.300 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.236 2.634 29.685 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.658 5.044 29.481 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.543 3.572 28.365 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.103 7.145 28.242 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.978 5.670 27.118 1.00 0.00 H new ATOM 0 HH TYR A 15 75.827 8.446 27.327 1.00 0.00 H new ATOM 246 N HIS A 16 76.940 1.201 32.271 1.00 0.00 N ATOM 247 CA HIS A 16 77.054 -0.183 32.833 1.00 0.00 C ATOM 248 C HIS A 16 76.496 -1.147 31.790 1.00 0.00 C ATOM 249 O HIS A 16 75.742 -2.052 32.096 1.00 0.00 O ATOM 250 CB HIS A 16 76.259 -0.345 34.143 1.00 0.00 C ATOM 251 CG HIS A 16 76.941 0.363 35.293 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.008 -0.174 36.007 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.682 1.566 35.919 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.351 0.658 36.991 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.573 1.744 36.987 1.00 0.00 N ATOM 0 H HIS A 16 77.809 1.735 32.250 1.00 0.00 H new ATOM 0 HA HIS A 16 78.100 -0.387 33.061 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.254 0.055 34.012 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.153 -1.404 34.377 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.910 2.264 35.630 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.149 0.478 37.696 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.618 2.537 37.627 1.00 0.00 H new ATOM 263 N SER A 17 76.849 -0.940 30.550 1.00 0.00 N ATOM 264 CA SER A 17 76.332 -1.812 29.464 1.00 0.00 C ATOM 265 C SER A 17 76.843 -3.243 29.633 1.00 0.00 C ATOM 266 O SER A 17 77.877 -3.485 30.227 1.00 0.00 O ATOM 267 CB SER A 17 76.805 -1.267 28.121 1.00 0.00 C ATOM 268 OG SER A 17 78.212 -1.418 28.025 1.00 0.00 O ATOM 0 H SER A 17 77.478 -0.198 30.244 1.00 0.00 H new ATOM 0 HA SER A 17 75.243 -1.821 29.507 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.314 -1.799 27.306 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.533 -0.216 28.025 1.00 0.00 H new ATOM 0 HG SER A 17 78.506 -1.175 27.122 1.00 0.00 H new ATOM 274 N ASN A 18 76.127 -4.200 29.100 1.00 0.00 N ATOM 275 CA ASN A 18 76.574 -5.615 29.214 1.00 0.00 C ATOM 276 C ASN A 18 77.800 -5.815 28.321 1.00 0.00 C ATOM 277 O ASN A 18 78.045 -5.046 27.413 1.00 0.00 O ATOM 278 CB ASN A 18 75.449 -6.550 28.768 1.00 0.00 C ATOM 279 CG ASN A 18 74.247 -6.384 29.699 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.357 -6.574 30.894 1.00 0.00 O ATOM 281 ND2 ASN A 18 73.095 -6.027 29.200 1.00 0.00 N ATOM 0 H ASN A 18 75.254 -4.060 28.592 1.00 0.00 H new ATOM 0 HA ASN A 18 76.829 -5.842 30.249 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.161 -6.325 27.741 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.794 -7.584 28.783 1.00 0.00 H new ATOM 0 HD21 ASN A 18 72.289 -5.908 29.813 1.00 0.00 H new ATOM 0 HD22 ASN A 18 73.001 -5.867 28.197 1.00 0.00 H new ATOM 288 N TRP A 19 78.584 -6.824 28.576 1.00 0.00 N ATOM 289 CA TRP A 19 79.800 -7.040 27.744 1.00 0.00 C ATOM 290 C TRP A 19 79.440 -7.173 26.259 1.00 0.00 C ATOM 291 O TRP A 19 80.222 -6.826 25.398 1.00 0.00 O ATOM 292 CB TRP A 19 80.541 -8.293 28.220 1.00 0.00 C ATOM 293 CG TRP A 19 79.785 -9.532 27.860 1.00 0.00 C ATOM 294 CD1 TRP A 19 78.988 -10.225 28.699 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.761 -10.243 26.592 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.477 -11.320 28.027 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.923 -11.373 26.723 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.383 -10.018 25.353 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.708 -12.251 25.658 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.169 -10.895 24.279 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.334 -12.011 24.432 1.00 0.00 C ATOM 0 H TRP A 19 78.437 -7.506 29.321 1.00 0.00 H new ATOM 0 HA TRP A 19 80.449 -6.171 27.857 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.534 -8.325 27.771 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.681 -8.249 29.300 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.783 -9.967 29.727 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.847 -12.005 28.445 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.031 -9.163 25.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.063 -13.108 25.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.650 -10.710 23.330 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.175 -12.685 23.603 1.00 0.00 H new ATOM 312 N ARG A 20 78.275 -7.670 25.945 1.00 0.00 N ATOM 313 CA ARG A 20 77.905 -7.817 24.504 1.00 0.00 C ATOM 314 C ARG A 20 77.881 -6.451 23.820 1.00 0.00 C ATOM 315 O ARG A 20 78.324 -6.299 22.695 1.00 0.00 O ATOM 316 CB ARG A 20 76.513 -8.439 24.389 1.00 0.00 C ATOM 317 CG ARG A 20 76.528 -9.859 24.949 1.00 0.00 C ATOM 318 CD ARG A 20 75.157 -10.497 24.735 1.00 0.00 C ATOM 319 NE ARG A 20 74.952 -10.756 23.280 1.00 0.00 N ATOM 320 CZ ARG A 20 73.979 -11.532 22.888 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.191 -12.075 23.771 1.00 0.00 N ATOM 322 NH2 ARG A 20 73.795 -11.764 21.617 1.00 0.00 N ATOM 0 H ARG A 20 77.569 -7.978 26.613 1.00 0.00 H new ATOM 0 HA ARG A 20 78.645 -8.456 24.023 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.789 -7.832 24.933 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.197 -8.454 23.346 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.299 -10.450 24.454 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.773 -9.841 26.011 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.086 -11.429 25.295 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.374 -9.839 25.112 1.00 0.00 H new ATOM 0 HE ARG A 20 75.572 -10.327 22.593 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.336 -11.893 24.764 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.429 -12.682 23.470 1.00 0.00 H new ATOM 0 HH21 ARG A 20 74.413 -11.338 20.926 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.033 -12.371 21.314 1.00 0.00 H new ATOM 336 N ALA A 21 77.369 -5.455 24.482 1.00 0.00 N ATOM 337 CA ALA A 21 77.311 -4.103 23.862 1.00 0.00 C ATOM 338 C ALA A 21 78.728 -3.559 23.699 1.00 0.00 C ATOM 339 O ALA A 21 79.106 -3.089 22.645 1.00 0.00 O ATOM 340 CB ALA A 21 76.481 -3.175 24.765 1.00 0.00 C ATOM 0 H ALA A 21 76.988 -5.517 25.426 1.00 0.00 H new ATOM 0 HA ALA A 21 76.843 -4.159 22.879 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.433 -2.182 24.319 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.473 -3.575 24.869 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.949 -3.109 25.747 1.00 0.00 H new ATOM 346 N MET A 22 79.514 -3.619 24.736 1.00 0.00 N ATOM 347 CA MET A 22 80.907 -3.109 24.632 1.00 0.00 C ATOM 348 C MET A 22 81.653 -3.890 23.555 1.00 0.00 C ATOM 349 O MET A 22 82.400 -3.334 22.776 1.00 0.00 O ATOM 350 CB MET A 22 81.621 -3.287 25.967 1.00 0.00 C ATOM 351 CG MET A 22 80.987 -2.366 27.008 1.00 0.00 C ATOM 352 SD MET A 22 82.012 -2.355 28.500 1.00 0.00 S ATOM 353 CE MET A 22 81.611 -4.018 29.082 1.00 0.00 C ATOM 0 H MET A 22 79.254 -3.997 25.647 1.00 0.00 H new ATOM 0 HA MET A 22 80.884 -2.051 24.371 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.552 -4.325 26.293 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.681 -3.057 25.859 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.895 -1.356 26.609 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.980 -2.707 27.247 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.874 -4.108 30.136 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.543 -4.199 28.958 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.173 -4.751 28.504 1.00 0.00 H new ATOM 363 N ALA A 23 81.454 -5.174 23.504 1.00 0.00 N ATOM 364 CA ALA A 23 82.151 -5.990 22.471 1.00 0.00 C ATOM 365 C ALA A 23 81.771 -5.466 21.083 1.00 0.00 C ATOM 366 O ALA A 23 82.610 -5.263 20.230 1.00 0.00 O ATOM 367 CB ALA A 23 81.719 -7.455 22.614 1.00 0.00 C ATOM 0 H ALA A 23 80.841 -5.695 24.131 1.00 0.00 H new ATOM 0 HA ALA A 23 83.231 -5.920 22.600 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.225 -8.059 21.861 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.984 -7.817 23.607 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.641 -7.532 22.475 1.00 0.00 H new ATOM 373 N SER A 24 80.505 -5.249 20.861 1.00 0.00 N ATOM 374 CA SER A 24 80.041 -4.736 19.539 1.00 0.00 C ATOM 375 C SER A 24 80.484 -3.282 19.343 1.00 0.00 C ATOM 376 O SER A 24 80.838 -2.874 18.255 1.00 0.00 O ATOM 377 CB SER A 24 78.516 -4.809 19.488 1.00 0.00 C ATOM 378 OG SER A 24 78.066 -4.379 18.210 1.00 0.00 O ATOM 0 H SER A 24 79.764 -5.406 21.544 1.00 0.00 H new ATOM 0 HA SER A 24 80.476 -5.345 18.747 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.183 -5.829 19.679 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.084 -4.182 20.268 1.00 0.00 H new ATOM 0 HG SER A 24 77.088 -4.427 18.175 1.00 0.00 H new ATOM 384 N ASP A 25 80.450 -2.494 20.383 1.00 0.00 N ATOM 385 CA ASP A 25 80.848 -1.063 20.250 1.00 0.00 C ATOM 386 C ASP A 25 82.303 -0.965 19.786 1.00 0.00 C ATOM 387 O ASP A 25 82.645 -0.131 18.970 1.00 0.00 O ATOM 388 CB ASP A 25 80.718 -0.372 21.611 1.00 0.00 C ATOM 389 CG ASP A 25 79.246 -0.326 22.029 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.398 -0.470 21.166 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.994 -0.147 23.210 1.00 0.00 O ATOM 0 H ASP A 25 80.164 -2.779 21.320 1.00 0.00 H new ATOM 0 HA ASP A 25 80.199 -0.581 19.519 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.302 -0.909 22.359 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.122 0.639 21.556 1.00 0.00 H new ATOM 396 N PHE A 26 83.161 -1.809 20.300 1.00 0.00 N ATOM 397 CA PHE A 26 84.603 -1.775 19.897 1.00 0.00 C ATOM 398 C PHE A 26 84.932 -2.998 19.038 1.00 0.00 C ATOM 399 O PHE A 26 86.052 -3.173 18.603 1.00 0.00 O ATOM 400 CB PHE A 26 85.471 -1.790 21.158 1.00 0.00 C ATOM 401 CG PHE A 26 85.236 -0.519 21.935 1.00 0.00 C ATOM 402 CD1 PHE A 26 84.199 -0.458 22.871 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.053 0.596 21.718 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.976 0.718 23.591 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.831 1.773 22.439 1.00 0.00 C ATOM 406 CZ PHE A 26 84.792 1.835 23.376 1.00 0.00 C ATOM 0 H PHE A 26 82.925 -2.526 20.986 1.00 0.00 H new ATOM 0 HA PHE A 26 84.799 -0.872 19.320 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.227 -2.657 21.772 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.524 -1.877 20.889 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.570 -1.320 23.037 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.854 0.547 20.995 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.174 0.766 24.313 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.461 2.635 22.273 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.620 2.744 23.933 1.00 0.00 H new ATOM 416 N ASN A 27 83.970 -3.846 18.794 1.00 0.00 N ATOM 417 CA ASN A 27 84.233 -5.056 17.968 1.00 0.00 C ATOM 418 C ASN A 27 85.381 -5.857 18.595 1.00 0.00 C ATOM 419 O ASN A 27 86.303 -6.272 17.920 1.00 0.00 O ATOM 420 CB ASN A 27 84.609 -4.631 16.545 1.00 0.00 C ATOM 421 CG ASN A 27 84.638 -5.857 15.631 1.00 0.00 C ATOM 422 OD1 ASN A 27 85.676 -6.456 15.431 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.534 -6.260 15.062 1.00 0.00 N ATOM 0 H ASN A 27 83.012 -3.752 19.132 1.00 0.00 H new ATOM 0 HA ASN A 27 83.339 -5.678 17.930 1.00 0.00 H new ATOM 0 HB2 ASN A 27 83.889 -3.903 16.170 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.584 -4.143 16.546 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.544 -7.076 14.451 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.662 -5.758 15.229 1.00 0.00 H new ATOM 430 N LEU A 28 85.322 -6.078 19.885 1.00 0.00 N ATOM 431 CA LEU A 28 86.397 -6.855 20.587 1.00 0.00 C ATOM 432 C LEU A 28 85.795 -8.166 21.095 1.00 0.00 C ATOM 433 O LEU A 28 84.608 -8.240 21.352 1.00 0.00 O ATOM 434 CB LEU A 28 86.902 -6.025 21.777 1.00 0.00 C ATOM 435 CG LEU A 28 87.664 -4.792 21.265 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.901 -3.826 22.429 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.020 -5.210 20.652 1.00 0.00 C ATOM 0 H LEU A 28 84.568 -5.751 20.490 1.00 0.00 H new ATOM 0 HA LEU A 28 87.224 -7.068 19.910 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.062 -5.713 22.397 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.554 -6.632 22.405 1.00 0.00 H new ATOM 0 HG LEU A 28 87.070 -4.303 20.493 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.441 -2.950 22.070 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.943 -3.516 22.845 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.488 -4.324 23.201 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.546 -4.325 20.295 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.623 -5.709 21.410 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.848 -5.891 19.818 1.00 0.00 H new ATOM 449 N PRO A 29 86.588 -9.203 21.245 1.00 0.00 N ATOM 450 CA PRO A 29 86.074 -10.507 21.737 1.00 0.00 C ATOM 451 C PRO A 29 85.466 -10.360 23.132 1.00 0.00 C ATOM 452 O PRO A 29 85.700 -9.390 23.822 1.00 0.00 O ATOM 453 CB PRO A 29 87.311 -11.428 21.761 1.00 0.00 C ATOM 454 CG PRO A 29 88.488 -10.507 21.730 1.00 0.00 C ATOM 455 CD PRO A 29 88.035 -9.261 20.968 1.00 0.00 C ATOM 0 HA PRO A 29 85.280 -10.906 21.105 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.321 -12.050 22.656 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.316 -12.102 20.905 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.808 -10.251 22.740 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.338 -10.978 21.236 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.548 -8.366 21.319 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.237 -9.346 19.900 1.00 0.00 H new ATOM 463 N PRO A 30 84.693 -11.315 23.545 1.00 0.00 N ATOM 464 CA PRO A 30 84.043 -11.287 24.883 1.00 0.00 C ATOM 465 C PRO A 30 85.072 -11.201 26.011 1.00 0.00 C ATOM 466 O PRO A 30 84.826 -10.629 27.050 1.00 0.00 O ATOM 467 CB PRO A 30 83.267 -12.618 24.950 1.00 0.00 C ATOM 468 CG PRO A 30 83.871 -13.485 23.890 1.00 0.00 C ATOM 469 CD PRO A 30 84.348 -12.534 22.797 1.00 0.00 C ATOM 0 HA PRO A 30 83.402 -10.414 25.008 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.360 -13.078 25.934 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.203 -12.462 24.771 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.700 -14.070 24.289 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.140 -14.193 23.500 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.208 -12.935 22.260 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.570 -12.347 22.057 1.00 0.00 H new ATOM 477 N VAL A 31 86.220 -11.776 25.827 1.00 0.00 N ATOM 478 CA VAL A 31 87.238 -11.736 26.909 1.00 0.00 C ATOM 479 C VAL A 31 87.533 -10.290 27.289 1.00 0.00 C ATOM 480 O VAL A 31 87.563 -9.942 28.455 1.00 0.00 O ATOM 481 CB VAL A 31 88.526 -12.410 26.418 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.588 -12.445 27.532 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.214 -13.842 25.971 1.00 0.00 C ATOM 0 H VAL A 31 86.499 -12.270 24.980 1.00 0.00 H new ATOM 0 HA VAL A 31 86.857 -12.264 27.783 1.00 0.00 H new ATOM 0 HB VAL A 31 88.919 -11.833 25.581 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.491 -12.928 27.159 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.823 -11.427 27.843 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.203 -13.005 28.384 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.128 -14.322 25.622 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.807 -14.405 26.811 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.484 -13.820 25.162 1.00 0.00 H new ATOM 493 N VAL A 32 87.760 -9.442 26.334 1.00 0.00 N ATOM 494 CA VAL A 32 88.064 -8.033 26.685 1.00 0.00 C ATOM 495 C VAL A 32 86.821 -7.394 27.289 1.00 0.00 C ATOM 496 O VAL A 32 86.865 -6.784 28.339 1.00 0.00 O ATOM 497 CB VAL A 32 88.492 -7.267 25.436 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.817 -5.820 25.814 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.735 -7.935 24.846 1.00 0.00 C ATOM 0 H VAL A 32 87.749 -9.658 25.337 1.00 0.00 H new ATOM 0 HA VAL A 32 88.879 -8.002 27.409 1.00 0.00 H new ATOM 0 HB VAL A 32 87.687 -7.274 24.701 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.123 -5.271 24.923 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.933 -5.349 26.245 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.627 -5.808 26.544 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.049 -7.395 23.953 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.540 -7.920 25.581 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.503 -8.967 24.583 1.00 0.00 H new ATOM 509 N ALA A 33 85.708 -7.526 26.630 1.00 0.00 N ATOM 510 CA ALA A 33 84.454 -6.930 27.167 1.00 0.00 C ATOM 511 C ALA A 33 84.070 -7.602 28.492 1.00 0.00 C ATOM 512 O ALA A 33 83.746 -6.936 29.459 1.00 0.00 O ATOM 513 CB ALA A 33 83.333 -7.119 26.145 1.00 0.00 C ATOM 0 H ALA A 33 85.610 -8.020 25.743 1.00 0.00 H new ATOM 0 HA ALA A 33 84.610 -5.867 27.350 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.411 -6.685 26.532 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.604 -6.624 25.212 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.184 -8.183 25.961 1.00 0.00 H new ATOM 519 N LYS A 34 84.111 -8.911 28.562 1.00 0.00 N ATOM 520 CA LYS A 34 83.750 -9.584 29.844 1.00 0.00 C ATOM 521 C LYS A 34 84.703 -9.138 30.951 1.00 0.00 C ATOM 522 O LYS A 34 84.314 -9.006 32.095 1.00 0.00 O ATOM 523 CB LYS A 34 83.823 -11.110 29.697 1.00 0.00 C ATOM 524 CG LYS A 34 82.682 -11.605 28.804 1.00 0.00 C ATOM 525 CD LYS A 34 82.833 -13.112 28.564 1.00 0.00 C ATOM 526 CE LYS A 34 82.588 -13.898 29.864 1.00 0.00 C ATOM 527 NZ LYS A 34 83.861 -14.006 30.628 1.00 0.00 N ATOM 0 H LYS A 34 84.375 -9.533 27.798 1.00 0.00 H new ATOM 0 HA LYS A 34 82.729 -9.303 30.101 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.783 -11.397 29.267 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.759 -11.582 30.678 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.721 -11.396 29.275 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.694 -11.072 27.853 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.127 -13.436 27.799 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.833 -13.327 28.187 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.831 -13.397 30.467 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.205 -14.892 29.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 84.012 -14.995 30.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 84.652 -13.694 30.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.809 -13.405 31.475 1.00 0.00 H new ATOM 541 N GLU A 35 85.952 -8.928 30.636 1.00 0.00 N ATOM 542 CA GLU A 35 86.908 -8.521 31.702 1.00 0.00 C ATOM 543 C GLU A 35 86.474 -7.191 32.328 1.00 0.00 C ATOM 544 O GLU A 35 86.585 -7.000 33.523 1.00 0.00 O ATOM 545 CB GLU A 35 88.316 -8.403 31.121 1.00 0.00 C ATOM 546 CG GLU A 35 89.331 -8.262 32.261 1.00 0.00 C ATOM 547 CD GLU A 35 89.290 -6.840 32.830 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.797 -5.958 32.147 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.754 -6.659 33.944 1.00 0.00 O ATOM 0 H GLU A 35 86.347 -9.019 29.700 1.00 0.00 H new ATOM 0 HA GLU A 35 86.912 -9.282 32.482 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.548 -9.283 30.521 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.376 -7.540 30.458 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.109 -8.983 33.047 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.333 -8.487 31.896 1.00 0.00 H new ATOM 556 N ILE A 36 85.979 -6.269 31.543 1.00 0.00 N ATOM 557 CA ILE A 36 85.548 -4.967 32.131 1.00 0.00 C ATOM 558 C ILE A 36 84.455 -5.244 33.164 1.00 0.00 C ATOM 559 O ILE A 36 84.427 -4.653 34.225 1.00 0.00 O ATOM 560 CB ILE A 36 85.005 -4.056 31.020 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.117 -3.824 29.997 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.576 -2.701 31.606 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.638 -2.854 28.916 1.00 0.00 C ATOM 0 H ILE A 36 85.856 -6.359 30.534 1.00 0.00 H new ATOM 0 HA ILE A 36 86.391 -4.469 32.609 1.00 0.00 H new ATOM 0 HB ILE A 36 84.142 -4.529 30.552 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.001 -3.422 30.493 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.409 -4.771 29.544 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.193 -2.064 30.808 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.796 -2.857 32.351 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.434 -2.219 32.074 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.436 -2.694 28.191 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.768 -3.273 28.411 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.368 -1.903 29.374 1.00 0.00 H new ATOM 575 N VAL A 37 83.569 -6.153 32.870 1.00 0.00 N ATOM 576 CA VAL A 37 82.494 -6.483 33.845 1.00 0.00 C ATOM 577 C VAL A 37 83.146 -7.008 35.123 1.00 0.00 C ATOM 578 O VAL A 37 82.727 -6.706 36.224 1.00 0.00 O ATOM 579 CB VAL A 37 81.575 -7.551 33.255 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.499 -7.919 34.276 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.906 -7.009 31.990 1.00 0.00 C ATOM 0 H VAL A 37 83.543 -6.681 31.998 1.00 0.00 H new ATOM 0 HA VAL A 37 81.902 -5.595 34.067 1.00 0.00 H new ATOM 0 HB VAL A 37 82.162 -8.435 33.007 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.843 -8.681 33.855 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.971 -8.305 35.179 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.914 -7.033 34.523 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.250 -7.772 31.570 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.320 -6.124 32.239 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.670 -6.745 31.259 1.00 0.00 H new ATOM 591 N ALA A 38 84.173 -7.800 34.977 1.00 0.00 N ATOM 592 CA ALA A 38 84.873 -8.351 36.171 1.00 0.00 C ATOM 593 C ALA A 38 85.415 -7.206 37.027 1.00 0.00 C ATOM 594 O ALA A 38 85.496 -7.307 38.235 1.00 0.00 O ATOM 595 CB ALA A 38 86.031 -9.245 35.721 1.00 0.00 C ATOM 0 H ALA A 38 84.558 -8.090 34.078 1.00 0.00 H new ATOM 0 HA ALA A 38 84.168 -8.939 36.760 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.542 -9.647 36.596 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.644 -10.066 35.118 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.734 -8.659 35.128 1.00 0.00 H new ATOM 601 N SER A 39 85.792 -6.116 36.412 1.00 0.00 N ATOM 602 CA SER A 39 86.332 -4.971 37.197 1.00 0.00 C ATOM 603 C SER A 39 85.170 -4.201 37.830 1.00 0.00 C ATOM 604 O SER A 39 85.306 -3.599 38.876 1.00 0.00 O ATOM 605 CB SER A 39 87.125 -4.042 36.274 1.00 0.00 C ATOM 606 OG SER A 39 88.181 -4.777 35.667 1.00 0.00 O ATOM 0 H SER A 39 85.749 -5.971 35.403 1.00 0.00 H new ATOM 0 HA SER A 39 86.992 -5.344 37.980 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.470 -3.624 35.509 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.529 -3.203 36.842 1.00 0.00 H new ATOM 0 HG SER A 39 88.691 -4.187 35.073 1.00 0.00 H new ATOM 612 N CYS A 40 84.026 -4.217 37.203 1.00 0.00 N ATOM 613 CA CYS A 40 82.857 -3.484 37.769 1.00 0.00 C ATOM 614 C CYS A 40 82.200 -4.336 38.859 1.00 0.00 C ATOM 615 O CYS A 40 81.481 -5.272 38.580 1.00 0.00 O ATOM 616 CB CYS A 40 81.844 -3.213 36.659 1.00 0.00 C ATOM 617 SG CYS A 40 80.423 -2.330 37.349 1.00 0.00 S ATOM 0 H CYS A 40 83.850 -4.705 36.325 1.00 0.00 H new ATOM 0 HA CYS A 40 83.192 -2.539 38.197 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.304 -2.622 35.867 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.520 -4.152 36.209 1.00 0.00 H new ATOM 0 HG CYS A 40 79.334 -2.738 36.767 1.00 0.00 H new ATOM 622 N ASP A 41 82.450 -4.023 40.098 1.00 0.00 N ATOM 623 CA ASP A 41 81.851 -4.817 41.206 1.00 0.00 C ATOM 624 C ASP A 41 80.324 -4.747 41.141 1.00 0.00 C ATOM 625 O ASP A 41 79.635 -5.664 41.543 1.00 0.00 O ATOM 626 CB ASP A 41 82.324 -4.256 42.546 1.00 0.00 C ATOM 627 CG ASP A 41 83.817 -4.535 42.717 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.351 -5.304 41.934 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.402 -3.975 43.626 1.00 0.00 O ATOM 0 H ASP A 41 83.045 -3.249 40.393 1.00 0.00 H new ATOM 0 HA ASP A 41 82.165 -5.856 41.107 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.136 -3.183 42.590 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.762 -4.711 43.362 1.00 0.00 H new ATOM 634 N LYS A 42 79.790 -3.656 40.668 1.00 0.00 N ATOM 635 CA LYS A 42 78.307 -3.520 40.613 1.00 0.00 C ATOM 636 C LYS A 42 77.718 -4.497 39.587 1.00 0.00 C ATOM 637 O LYS A 42 76.693 -5.103 39.821 1.00 0.00 O ATOM 638 CB LYS A 42 77.953 -2.084 40.209 1.00 0.00 C ATOM 639 CG LYS A 42 78.373 -1.124 41.330 1.00 0.00 C ATOM 640 CD LYS A 42 78.087 0.335 40.921 1.00 0.00 C ATOM 641 CE LYS A 42 76.629 0.698 41.220 1.00 0.00 C ATOM 642 NZ LYS A 42 76.397 0.629 42.691 1.00 0.00 N ATOM 0 H LYS A 42 80.314 -2.854 40.318 1.00 0.00 H new ATOM 0 HA LYS A 42 77.890 -3.749 41.594 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.459 -1.820 39.280 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.882 -1.999 40.024 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.833 -1.365 42.246 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.435 -1.247 41.545 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.754 1.008 41.460 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.291 0.468 39.859 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.409 1.700 40.852 1.00 0.00 H new ATOM 0 HE3 LYS A 42 75.958 0.013 40.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 75.636 1.287 42.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.124 -0.339 42.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.270 0.891 43.193 1.00 0.00 H new ATOM 656 N CYS A 43 78.349 -4.662 38.452 1.00 0.00 N ATOM 657 CA CYS A 43 77.804 -5.606 37.428 1.00 0.00 C ATOM 658 C CYS A 43 78.311 -7.027 37.697 1.00 0.00 C ATOM 659 O CYS A 43 77.670 -7.999 37.351 1.00 0.00 O ATOM 660 CB CYS A 43 78.251 -5.164 36.029 1.00 0.00 C ATOM 661 SG CYS A 43 77.393 -3.637 35.562 1.00 0.00 S ATOM 0 H CYS A 43 79.213 -4.187 38.190 1.00 0.00 H new ATOM 0 HA CYS A 43 76.716 -5.597 37.485 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.329 -5.004 36.016 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.036 -5.949 35.304 1.00 0.00 H new ATOM 0 HG CYS A 43 77.779 -3.268 34.377 1.00 0.00 H new ATOM 666 N GLN A 44 79.472 -7.160 38.286 1.00 0.00 N ATOM 667 CA GLN A 44 80.029 -8.524 38.540 1.00 0.00 C ATOM 668 C GLN A 44 79.258 -9.228 39.659 1.00 0.00 C ATOM 669 O GLN A 44 78.704 -10.291 39.469 1.00 0.00 O ATOM 670 CB GLN A 44 81.501 -8.406 38.945 1.00 0.00 C ATOM 671 CG GLN A 44 82.153 -9.797 38.957 1.00 0.00 C ATOM 672 CD GLN A 44 83.539 -9.705 39.597 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.081 -8.533 39.766 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.135 -10.707 39.939 1.00 0.00 N ATOM 0 H GLN A 44 80.057 -6.386 38.601 1.00 0.00 H new ATOM 0 HA GLN A 44 79.935 -9.110 37.626 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.028 -7.754 38.248 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.580 -7.949 39.931 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.530 -10.498 39.513 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.235 -10.181 37.940 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.709 -11.624 39.806 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.061 -10.631 40.359 1.00 0.00 H new ATOM 844 N PHE B 1 93.405 -14.342 21.652 1.00 0.00 N ATOM 845 CA PHE B 1 92.471 -14.181 22.802 1.00 0.00 C ATOM 846 C PHE B 1 91.909 -15.542 23.220 1.00 0.00 C ATOM 847 O PHE B 1 92.193 -16.042 24.290 1.00 0.00 O ATOM 848 CB PHE B 1 91.303 -13.277 22.396 1.00 0.00 C ATOM 849 CG PHE B 1 91.765 -11.843 22.306 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.284 -11.353 21.103 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.659 -11.001 23.421 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.700 -10.021 21.013 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.078 -9.670 23.329 1.00 0.00 C ATOM 854 CZ PHE B 1 92.599 -9.179 22.126 1.00 0.00 C ATOM 0 H1 PHE B 1 93.411 -13.470 21.085 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.364 -14.530 22.007 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.093 -15.138 21.060 1.00 0.00 H new ATOM 0 HA PHE B 1 93.019 -13.738 23.634 1.00 0.00 H new ATOM 0 HB2 PHE B 1 90.901 -13.599 21.435 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.496 -13.363 23.124 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.363 -12.003 20.244 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.255 -11.379 24.349 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.099 -9.642 20.084 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.000 -9.020 24.188 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.923 -8.151 22.057 1.00 0.00 H new ATOM 866 N LEU B 2 91.083 -16.123 22.400 1.00 0.00 N ATOM 867 CA LEU B 2 90.462 -17.429 22.760 1.00 0.00 C ATOM 868 C LEU B 2 91.478 -18.573 22.692 1.00 0.00 C ATOM 869 O LEU B 2 91.503 -19.440 23.543 1.00 0.00 O ATOM 870 CB LEU B 2 89.332 -17.721 21.773 1.00 0.00 C ATOM 871 CG LEU B 2 88.430 -16.489 21.636 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.269 -16.816 20.696 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.878 -16.096 23.012 1.00 0.00 C ATOM 0 H LEU B 2 90.809 -15.750 21.491 1.00 0.00 H new ATOM 0 HA LEU B 2 90.088 -17.361 23.782 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.746 -17.990 20.801 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.748 -18.574 22.117 1.00 0.00 H new ATOM 0 HG LEU B 2 89.009 -15.659 21.231 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.625 -15.942 20.596 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.660 -17.093 19.717 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.693 -17.646 21.104 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.237 -15.220 22.910 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.299 -16.924 23.422 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.705 -15.865 23.683 1.00 0.00 H new ATOM 885 N ASP B 3 92.285 -18.616 21.672 1.00 0.00 N ATOM 886 CA ASP B 3 93.260 -19.741 21.551 1.00 0.00 C ATOM 887 C ASP B 3 94.312 -19.681 22.662 1.00 0.00 C ATOM 888 O ASP B 3 94.607 -20.672 23.301 1.00 0.00 O ATOM 889 CB ASP B 3 93.958 -19.675 20.193 1.00 0.00 C ATOM 890 CG ASP B 3 94.758 -20.961 19.976 1.00 0.00 C ATOM 891 OD1 ASP B 3 94.835 -21.748 20.905 1.00 0.00 O ATOM 892 OD2 ASP B 3 95.281 -21.135 18.889 1.00 0.00 O ATOM 0 H ASP B 3 92.315 -17.928 20.920 1.00 0.00 H new ATOM 0 HA ASP B 3 92.710 -20.677 21.643 1.00 0.00 H new ATOM 0 HB2 ASP B 3 93.222 -19.552 19.398 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.620 -18.810 20.152 1.00 0.00 H new ATOM 897 N GLY B 4 94.889 -18.537 22.891 1.00 0.00 N ATOM 898 CA GLY B 4 95.933 -18.431 23.952 1.00 0.00 C ATOM 899 C GLY B 4 95.326 -18.761 25.314 1.00 0.00 C ATOM 900 O GLY B 4 95.882 -19.517 26.086 1.00 0.00 O ATOM 0 H GLY B 4 94.686 -17.671 22.392 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.755 -19.114 23.735 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.350 -17.424 23.964 1.00 0.00 H new ATOM 904 N ILE B 5 94.196 -18.190 25.614 1.00 0.00 N ATOM 905 CA ILE B 5 93.552 -18.463 26.926 1.00 0.00 C ATOM 906 C ILE B 5 93.258 -19.954 27.069 1.00 0.00 C ATOM 907 O ILE B 5 93.410 -20.520 28.128 1.00 0.00 O ATOM 908 CB ILE B 5 92.249 -17.667 27.018 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.585 -16.174 27.124 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.450 -18.103 28.251 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.318 -15.314 26.965 1.00 0.00 C ATOM 0 H ILE B 5 93.690 -17.545 25.007 1.00 0.00 H new ATOM 0 HA ILE B 5 94.225 -18.162 27.729 1.00 0.00 H new ATOM 0 HB ILE B 5 91.648 -17.851 26.128 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.050 -15.969 28.088 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.311 -15.905 26.357 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.525 -17.530 28.306 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.215 -19.165 28.176 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.041 -17.925 29.149 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.582 -14.259 27.044 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.869 -15.504 25.990 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.604 -15.569 27.749 1.00 0.00 H new ATOM 923 N ASP B 6 92.837 -20.604 26.023 1.00 0.00 N ATOM 924 CA ASP B 6 92.536 -22.054 26.147 1.00 0.00 C ATOM 925 C ASP B 6 93.753 -22.773 26.724 1.00 0.00 C ATOM 926 O ASP B 6 93.636 -23.601 27.604 1.00 0.00 O ATOM 927 CB ASP B 6 92.209 -22.629 24.766 1.00 0.00 C ATOM 928 CG ASP B 6 90.863 -22.084 24.289 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.203 -21.423 25.074 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.515 -22.336 23.147 1.00 0.00 O ATOM 0 H ASP B 6 92.690 -20.200 25.098 1.00 0.00 H new ATOM 0 HA ASP B 6 91.681 -22.195 26.808 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.992 -22.364 24.056 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.176 -23.718 24.813 1.00 0.00 H new ATOM 935 N LYS B 7 94.927 -22.450 26.255 1.00 0.00 N ATOM 936 CA LYS B 7 96.142 -23.113 26.804 1.00 0.00 C ATOM 937 C LYS B 7 96.369 -22.628 28.237 1.00 0.00 C ATOM 938 O LYS B 7 96.637 -23.403 29.135 1.00 0.00 O ATOM 939 CB LYS B 7 97.358 -22.758 25.945 1.00 0.00 C ATOM 940 CG LYS B 7 97.132 -23.246 24.512 1.00 0.00 C ATOM 941 CD LYS B 7 98.416 -23.062 23.701 1.00 0.00 C ATOM 942 CE LYS B 7 98.156 -23.440 22.241 1.00 0.00 C ATOM 943 NZ LYS B 7 97.784 -24.880 22.163 1.00 0.00 N ATOM 0 H LYS B 7 95.096 -21.762 25.522 1.00 0.00 H new ATOM 0 HA LYS B 7 96.004 -24.194 26.797 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.519 -21.680 25.952 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.256 -23.217 26.359 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.839 -24.296 24.516 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.316 -22.689 24.052 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.754 -22.028 23.765 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.211 -23.684 24.113 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.356 -22.823 21.831 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.045 -23.249 21.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.871 -25.208 21.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.419 -25.436 22.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 96.802 -25.003 22.484 1.00 0.00 H new ATOM 957 N ALA B 8 96.256 -21.346 28.455 1.00 0.00 N ATOM 958 CA ALA B 8 96.455 -20.800 29.827 1.00 0.00 C ATOM 959 C ALA B 8 95.338 -21.307 30.734 1.00 0.00 C ATOM 960 O ALA B 8 95.536 -21.550 31.906 1.00 0.00 O ATOM 961 CB ALA B 8 96.438 -19.267 29.788 1.00 0.00 C ATOM 0 H ALA B 8 96.034 -20.652 27.741 1.00 0.00 H new ATOM 0 HA ALA B 8 97.419 -21.131 30.214 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.584 -18.876 30.795 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.239 -18.911 29.140 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.479 -18.924 29.401 1.00 0.00 H new ATOM 967 N GLN B 9 94.160 -21.465 30.200 1.00 0.00 N ATOM 968 CA GLN B 9 93.038 -21.948 31.037 1.00 0.00 C ATOM 969 C GLN B 9 93.406 -23.309 31.629 1.00 0.00 C ATOM 970 O GLN B 9 93.144 -23.584 32.782 1.00 0.00 O ATOM 971 CB GLN B 9 91.774 -22.073 30.182 1.00 0.00 C ATOM 972 CG GLN B 9 90.574 -22.328 31.094 1.00 0.00 C ATOM 973 CD GLN B 9 89.332 -22.622 30.248 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.432 -23.199 29.185 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.159 -22.251 30.682 1.00 0.00 N ATOM 0 H GLN B 9 93.930 -21.280 29.224 1.00 0.00 H new ATOM 0 HA GLN B 9 92.849 -21.240 31.844 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.620 -21.162 29.604 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.883 -22.889 29.468 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.781 -23.169 31.756 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.396 -21.459 31.728 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.076 -21.766 31.576 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.325 -22.446 30.128 1.00 0.00 H new ATOM 984 N GLU B 10 94.034 -24.157 30.861 1.00 0.00 N ATOM 985 CA GLU B 10 94.432 -25.484 31.408 1.00 0.00 C ATOM 986 C GLU B 10 95.412 -25.269 32.563 1.00 0.00 C ATOM 987 O GLU B 10 95.323 -25.901 33.593 1.00 0.00 O ATOM 988 CB GLU B 10 95.103 -26.314 30.313 1.00 0.00 C ATOM 989 CG GLU B 10 95.231 -27.763 30.788 1.00 0.00 C ATOM 990 CD GLU B 10 93.849 -28.420 30.800 1.00 0.00 C ATOM 991 OE1 GLU B 10 92.906 -27.779 30.363 1.00 0.00 O ATOM 992 OE2 GLU B 10 93.757 -29.551 31.242 1.00 0.00 O ATOM 0 H GLU B 10 94.287 -23.990 29.887 1.00 0.00 H new ATOM 0 HA GLU B 10 93.549 -26.015 31.765 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.516 -26.270 29.395 1.00 0.00 H new ATOM 0 HB3 GLU B 10 96.087 -25.906 30.082 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.902 -28.315 30.130 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.668 -27.792 31.786 1.00 0.00 H new ATOM 999 N GLU B 11 96.340 -24.363 32.400 1.00 0.00 N ATOM 1000 CA GLU B 11 97.319 -24.097 33.492 1.00 0.00 C ATOM 1001 C GLU B 11 96.553 -23.625 34.728 1.00 0.00 C ATOM 1002 O GLU B 11 96.839 -24.025 35.838 1.00 0.00 O ATOM 1003 CB GLU B 11 98.296 -23.004 33.033 1.00 0.00 C ATOM 1004 CG GLU B 11 99.524 -22.977 33.949 1.00 0.00 C ATOM 1005 CD GLU B 11 100.404 -24.198 33.670 1.00 0.00 C ATOM 1006 OE1 GLU B 11 100.297 -24.748 32.586 1.00 0.00 O ATOM 1007 OE2 GLU B 11 101.178 -24.555 34.541 1.00 0.00 O ATOM 0 H GLU B 11 96.461 -23.798 31.560 1.00 0.00 H new ATOM 0 HA GLU B 11 97.879 -25.001 33.731 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.604 -23.190 32.004 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.801 -22.033 33.047 1.00 0.00 H new ATOM 0 HG2 GLU B 11 100.093 -22.062 33.784 1.00 0.00 H new ATOM 0 HG3 GLU B 11 99.211 -22.974 34.993 1.00 0.00 H new ATOM 1014 N HIS B 12 95.571 -22.785 34.542 1.00 0.00 N ATOM 1015 CA HIS B 12 94.779 -22.300 35.705 1.00 0.00 C ATOM 1016 C HIS B 12 94.101 -23.476 36.401 1.00 0.00 C ATOM 1017 O HIS B 12 94.140 -23.607 37.604 1.00 0.00 O ATOM 1018 CB HIS B 12 93.691 -21.331 35.243 1.00 0.00 C ATOM 1019 CG HIS B 12 92.993 -20.819 36.464 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.169 -19.515 36.943 1.00 0.00 N ATOM 1021 CD2 HIS B 12 92.188 -21.451 37.374 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.486 -19.414 38.106 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.892 -20.565 38.386 1.00 0.00 N ATOM 0 H HIS B 12 95.284 -22.415 33.636 1.00 0.00 H new ATOM 0 HA HIS B 12 95.460 -21.795 36.390 1.00 0.00 H new ATOM 0 HB2 HIS B 12 94.127 -20.507 34.677 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.986 -21.834 34.581 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.843 -22.472 37.309 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.433 -18.525 38.717 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.317 -20.760 39.206 1.00 0.00 H new ATOM 1031 N GLU B 13 93.460 -24.319 35.653 1.00 0.00 N ATOM 1032 CA GLU B 13 92.756 -25.475 36.271 1.00 0.00 C ATOM 1033 C GLU B 13 93.750 -26.359 37.030 1.00 0.00 C ATOM 1034 O GLU B 13 93.468 -26.844 38.107 1.00 0.00 O ATOM 1035 CB GLU B 13 92.086 -26.295 35.166 1.00 0.00 C ATOM 1036 CG GLU B 13 91.157 -27.343 35.787 1.00 0.00 C ATOM 1037 CD GLU B 13 89.897 -26.656 36.317 1.00 0.00 C ATOM 1038 OE1 GLU B 13 89.793 -25.451 36.161 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.054 -27.349 36.864 1.00 0.00 O ATOM 0 H GLU B 13 93.391 -24.261 34.637 1.00 0.00 H new ATOM 0 HA GLU B 13 92.007 -25.107 36.973 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.519 -25.638 34.507 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.843 -26.784 34.554 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.890 -28.094 35.044 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.668 -27.864 36.597 1.00 0.00 H new ATOM 1046 N LYS B 14 94.901 -26.585 36.464 1.00 0.00 N ATOM 1047 CA LYS B 14 95.911 -27.458 37.133 1.00 0.00 C ATOM 1048 C LYS B 14 96.353 -26.909 38.499 1.00 0.00 C ATOM 1049 O LYS B 14 96.663 -27.673 39.391 1.00 0.00 O ATOM 1050 CB LYS B 14 97.138 -27.595 36.230 1.00 0.00 C ATOM 1051 CG LYS B 14 96.764 -28.404 34.982 1.00 0.00 C ATOM 1052 CD LYS B 14 97.905 -28.359 33.955 1.00 0.00 C ATOM 1053 CE LYS B 14 99.025 -29.319 34.371 1.00 0.00 C ATOM 1054 NZ LYS B 14 100.078 -29.338 33.316 1.00 0.00 N ATOM 0 H LYS B 14 95.189 -26.203 35.563 1.00 0.00 H new ATOM 0 HA LYS B 14 95.441 -28.427 37.303 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.503 -26.609 35.942 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.946 -28.089 36.769 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.556 -29.437 35.259 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.852 -28.003 34.540 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.529 -28.632 32.969 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.295 -27.344 33.877 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.454 -29.005 35.323 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.624 -30.322 34.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.839 -29.989 33.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.663 -29.657 32.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.468 -28.381 33.197 1.00 0.00 H new ATOM 1068 N TYR B 15 96.440 -25.604 38.669 1.00 0.00 N ATOM 1069 CA TYR B 15 96.935 -25.051 39.986 1.00 0.00 C ATOM 1070 C TYR B 15 96.106 -23.850 40.479 1.00 0.00 C ATOM 1071 O TYR B 15 96.371 -23.314 41.536 1.00 0.00 O ATOM 1072 CB TYR B 15 98.381 -24.585 39.786 1.00 0.00 C ATOM 1073 CG TYR B 15 99.139 -25.601 38.957 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.757 -26.692 39.580 1.00 0.00 C ATOM 1075 CD2 TYR B 15 99.233 -25.448 37.562 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.465 -27.629 38.815 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.943 -26.384 36.801 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.560 -27.474 37.426 1.00 0.00 C ATOM 1079 OH TYR B 15 101.262 -28.393 36.675 1.00 0.00 O ATOM 0 H TYR B 15 96.195 -24.906 37.967 1.00 0.00 H new ATOM 0 HA TYR B 15 96.849 -25.839 40.734 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.394 -23.615 39.290 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.868 -24.455 40.753 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.688 -26.812 40.651 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.757 -24.608 37.078 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.938 -28.472 39.297 1.00 0.00 H new ATOM 0 HE2 TYR B 15 100.015 -26.265 35.730 1.00 0.00 H new ATOM 0 HH TYR B 15 101.218 -29.271 37.108 1.00 0.00 H new ATOM 1089 N HIS B 16 95.156 -23.389 39.720 1.00 0.00 N ATOM 1090 CA HIS B 16 94.374 -22.187 40.150 1.00 0.00 C ATOM 1091 C HIS B 16 95.371 -21.072 40.445 1.00 0.00 C ATOM 1092 O HIS B 16 95.276 -20.377 41.436 1.00 0.00 O ATOM 1093 CB HIS B 16 93.537 -22.459 41.412 1.00 0.00 C ATOM 1094 CG HIS B 16 92.347 -23.337 41.103 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.157 -22.867 40.558 1.00 0.00 N ATOM 1096 CD2 HIS B 16 92.116 -24.680 41.317 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.280 -23.865 40.464 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.812 -25.003 40.914 1.00 0.00 N ATOM 0 H HIS B 16 94.883 -23.787 38.821 1.00 0.00 H new ATOM 0 HA HIS B 16 93.681 -21.915 39.354 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.159 -22.939 42.167 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.195 -21.514 41.834 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.830 -25.376 41.731 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.277 -23.767 40.077 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.363 -25.918 40.956 1.00 0.00 H new ATOM 1106 N SER B 17 96.346 -20.919 39.594 1.00 0.00 N ATOM 1107 CA SER B 17 97.385 -19.877 39.811 1.00 0.00 C ATOM 1108 C SER B 17 96.765 -18.479 39.747 1.00 0.00 C ATOM 1109 O SER B 17 95.747 -18.268 39.119 1.00 0.00 O ATOM 1110 CB SER B 17 98.453 -20.004 38.729 1.00 0.00 C ATOM 1111 OG SER B 17 97.887 -19.665 37.472 1.00 0.00 O ATOM 0 H SER B 17 96.468 -21.477 38.749 1.00 0.00 H new ATOM 0 HA SER B 17 97.828 -20.019 40.797 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.293 -19.347 38.952 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.842 -21.022 38.703 1.00 0.00 H new ATOM 0 HG SER B 17 98.570 -19.743 36.774 1.00 0.00 H new ATOM 1117 N ASN B 18 97.384 -17.520 40.381 1.00 0.00 N ATOM 1118 CA ASN B 18 96.843 -16.133 40.344 1.00 0.00 C ATOM 1119 C ASN B 18 97.065 -15.555 38.944 1.00 0.00 C ATOM 1120 O ASN B 18 97.887 -16.038 38.191 1.00 0.00 O ATOM 1121 CB ASN B 18 97.562 -15.275 41.386 1.00 0.00 C ATOM 1122 CG ASN B 18 97.280 -15.824 42.786 1.00 0.00 C ATOM 1123 OD1 ASN B 18 96.139 -15.946 43.185 1.00 0.00 O ATOM 1124 ND2 ASN B 18 98.280 -16.163 43.551 1.00 0.00 N ATOM 0 H ASN B 18 98.240 -17.638 40.922 1.00 0.00 H new ATOM 0 HA ASN B 18 95.777 -16.141 40.571 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.635 -15.275 41.194 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.225 -14.241 41.315 1.00 0.00 H new ATOM 0 HD21 ASN B 18 98.105 -16.531 44.486 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.237 -16.060 43.214 1.00 0.00 H new ATOM 1131 N TRP B 19 96.329 -14.544 38.576 1.00 0.00 N ATOM 1132 CA TRP B 19 96.492 -13.967 37.214 1.00 0.00 C ATOM 1133 C TRP B 19 97.939 -13.521 36.978 1.00 0.00 C ATOM 1134 O TRP B 19 98.421 -13.531 35.863 1.00 0.00 O ATOM 1135 CB TRP B 19 95.532 -12.789 37.030 1.00 0.00 C ATOM 1136 CG TRP B 19 95.975 -11.608 37.834 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.460 -11.249 39.032 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.988 -10.614 37.508 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.095 -10.098 39.464 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.044 -9.669 38.560 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.854 -10.444 36.419 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.929 -8.591 38.530 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.746 -9.361 36.384 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.783 -8.436 37.436 1.00 0.00 C ATOM 0 H TRP B 19 95.623 -14.093 39.158 1.00 0.00 H new ATOM 0 HA TRP B 19 96.254 -14.737 36.480 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.481 -12.518 35.976 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.527 -13.083 37.332 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.681 -11.775 39.564 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.887 -9.625 40.343 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.835 -11.150 35.602 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.953 -7.883 39.345 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.409 -9.240 35.540 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.471 -7.604 37.401 1.00 0.00 H new ATOM 1155 N ARG B 20 98.644 -13.122 38.005 1.00 0.00 N ATOM 1156 CA ARG B 20 100.053 -12.675 37.793 1.00 0.00 C ATOM 1157 C ARG B 20 100.895 -13.818 37.236 1.00 0.00 C ATOM 1158 O ARG B 20 101.714 -13.630 36.358 1.00 0.00 O ATOM 1159 CB ARG B 20 100.663 -12.228 39.124 1.00 0.00 C ATOM 1160 CG ARG B 20 99.921 -11.000 39.646 1.00 0.00 C ATOM 1161 CD ARG B 20 100.590 -10.513 40.930 1.00 0.00 C ATOM 1162 NE ARG B 20 101.930 -9.941 40.606 1.00 0.00 N ATOM 1163 CZ ARG B 20 102.559 -9.218 41.491 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.008 -8.989 42.652 1.00 0.00 N ATOM 1165 NH2 ARG B 20 103.734 -8.722 41.216 1.00 0.00 N ATOM 0 H ARG B 20 98.311 -13.086 38.968 1.00 0.00 H new ATOM 0 HA ARG B 20 100.045 -11.846 37.085 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.603 -13.037 39.852 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.720 -11.996 38.991 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.930 -10.210 38.896 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.877 -11.246 39.837 1.00 0.00 H new ATOM 0 HD2 ARG B 20 99.968 -9.760 41.414 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.696 -11.339 41.634 1.00 0.00 H new ATOM 0 HE ARG B 20 102.353 -10.115 39.694 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.088 -9.375 42.865 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.497 -8.424 43.346 1.00 0.00 H new ATOM 0 HH21 ARG B 20 104.163 -8.899 40.308 1.00 0.00 H new ATOM 0 HH22 ARG B 20 104.224 -8.157 41.909 1.00 0.00 H new ATOM 1179 N ALA B 21 100.708 -15.002 37.741 1.00 0.00 N ATOM 1180 CA ALA B 21 101.510 -16.152 37.247 1.00 0.00 C ATOM 1181 C ALA B 21 101.130 -16.446 35.795 1.00 0.00 C ATOM 1182 O ALA B 21 101.980 -16.582 34.936 1.00 0.00 O ATOM 1183 CB ALA B 21 101.226 -17.374 38.133 1.00 0.00 C ATOM 0 H ALA B 21 100.035 -15.224 38.474 1.00 0.00 H new ATOM 0 HA ALA B 21 102.574 -15.918 37.291 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.810 -18.224 37.779 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.502 -17.148 39.163 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.165 -17.618 38.087 1.00 0.00 H new ATOM 1189 N MET B 22 99.860 -16.545 35.517 1.00 0.00 N ATOM 1190 CA MET B 22 99.432 -16.828 34.121 1.00 0.00 C ATOM 1191 C MET B 22 99.927 -15.717 33.201 1.00 0.00 C ATOM 1192 O MET B 22 100.387 -15.962 32.104 1.00 0.00 O ATOM 1193 CB MET B 22 97.907 -16.900 34.054 1.00 0.00 C ATOM 1194 CG MET B 22 97.425 -18.126 34.825 1.00 0.00 C ATOM 1195 SD MET B 22 95.662 -18.379 34.507 1.00 0.00 S ATOM 1196 CE MET B 22 95.042 -16.980 35.463 1.00 0.00 C ATOM 0 H MET B 22 99.104 -16.443 36.194 1.00 0.00 H new ATOM 0 HA MET B 22 99.854 -17.781 33.802 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.470 -15.995 34.477 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.579 -16.957 33.016 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.991 -19.007 34.521 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.598 -17.989 35.893 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.981 -17.122 35.670 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.589 -16.910 36.403 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.180 -16.061 34.894 1.00 0.00 H new ATOM 1206 N ALA B 23 99.845 -14.497 33.646 1.00 0.00 N ATOM 1207 CA ALA B 23 100.316 -13.366 32.801 1.00 0.00 C ATOM 1208 C ALA B 23 101.796 -13.569 32.469 1.00 0.00 C ATOM 1209 O ALA B 23 102.217 -13.444 31.335 1.00 0.00 O ATOM 1210 CB ALA B 23 100.128 -12.049 33.569 1.00 0.00 C ATOM 0 H ALA B 23 99.472 -14.233 34.558 1.00 0.00 H new ATOM 0 HA ALA B 23 99.741 -13.328 31.876 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.472 -11.217 32.954 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.073 -11.913 33.806 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.706 -12.081 34.493 1.00 0.00 H new ATOM 1216 N SER B 24 102.584 -13.888 33.455 1.00 0.00 N ATOM 1217 CA SER B 24 104.037 -14.112 33.225 1.00 0.00 C ATOM 1218 C SER B 24 104.260 -15.402 32.429 1.00 0.00 C ATOM 1219 O SER B 24 105.133 -15.483 31.589 1.00 0.00 O ATOM 1220 CB SER B 24 104.739 -14.224 34.577 1.00 0.00 C ATOM 1221 OG SER B 24 106.141 -14.333 34.372 1.00 0.00 O ATOM 0 H SER B 24 102.280 -14.004 34.422 1.00 0.00 H new ATOM 0 HA SER B 24 104.443 -13.276 32.656 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.516 -13.350 35.189 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.371 -15.095 35.120 1.00 0.00 H new ATOM 0 HG SER B 24 106.594 -14.403 35.238 1.00 0.00 H new ATOM 1227 N ASP B 25 103.492 -16.420 32.700 1.00 0.00 N ATOM 1228 CA ASP B 25 103.675 -17.710 31.973 1.00 0.00 C ATOM 1229 C ASP B 25 103.472 -17.497 30.473 1.00 0.00 C ATOM 1230 O ASP B 25 104.182 -18.052 29.658 1.00 0.00 O ATOM 1231 CB ASP B 25 102.653 -18.729 32.478 1.00 0.00 C ATOM 1232 CG ASP B 25 102.933 -19.066 33.945 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.038 -18.809 34.392 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.036 -19.580 34.595 1.00 0.00 O ATOM 0 H ASP B 25 102.744 -16.416 33.394 1.00 0.00 H new ATOM 0 HA ASP B 25 104.685 -18.079 32.152 1.00 0.00 H new ATOM 0 HB2 ASP B 25 101.645 -18.328 32.374 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.700 -19.634 31.873 1.00 0.00 H new ATOM 1239 N PHE B 26 102.498 -16.704 30.103 1.00 0.00 N ATOM 1240 CA PHE B 26 102.228 -16.446 28.651 1.00 0.00 C ATOM 1241 C PHE B 26 102.629 -15.014 28.292 1.00 0.00 C ATOM 1242 O PHE B 26 102.495 -14.589 27.162 1.00 0.00 O ATOM 1243 CB PHE B 26 100.732 -16.633 28.383 1.00 0.00 C ATOM 1244 CG PHE B 26 100.366 -18.080 28.618 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.006 -18.512 29.900 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.387 -18.989 27.554 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.670 -19.851 30.118 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.048 -20.330 27.770 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.691 -20.761 29.053 1.00 0.00 C ATOM 0 H PHE B 26 101.873 -16.220 30.747 1.00 0.00 H new ATOM 0 HA PHE B 26 102.808 -17.142 28.045 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.149 -15.986 29.038 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.495 -16.346 27.358 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.988 -17.810 30.721 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.665 -18.656 26.565 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.394 -20.184 31.108 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.062 -21.031 26.948 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.432 -21.796 29.222 1.00 0.00 H new ATOM 1259 N ASN B 27 103.117 -14.267 29.244 1.00 0.00 N ATOM 1260 CA ASN B 27 103.525 -12.865 28.954 1.00 0.00 C ATOM 1261 C ASN B 27 102.337 -12.105 28.360 1.00 0.00 C ATOM 1262 O ASN B 27 102.465 -11.408 27.373 1.00 0.00 O ATOM 1263 CB ASN B 27 104.695 -12.862 27.962 1.00 0.00 C ATOM 1264 CG ASN B 27 105.282 -11.452 27.865 1.00 0.00 C ATOM 1265 OD1 ASN B 27 104.903 -10.680 27.004 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.199 -11.078 28.715 1.00 0.00 N ATOM 0 H ASN B 27 103.250 -14.567 30.210 1.00 0.00 H new ATOM 0 HA ASN B 27 103.841 -12.378 29.877 1.00 0.00 H new ATOM 0 HB2 ASN B 27 105.462 -13.565 28.287 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.354 -13.193 26.981 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.596 -10.140 28.657 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.518 -11.723 29.438 1.00 0.00 H new ATOM 1273 N LEU B 28 101.184 -12.229 28.966 1.00 0.00 N ATOM 1274 CA LEU B 28 99.962 -11.515 28.462 1.00 0.00 C ATOM 1275 C LEU B 28 99.559 -10.462 29.495 1.00 0.00 C ATOM 1276 O LEU B 28 99.837 -10.607 30.669 1.00 0.00 O ATOM 1277 CB LEU B 28 98.828 -12.537 28.297 1.00 0.00 C ATOM 1278 CG LEU B 28 99.162 -13.495 27.141 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.197 -14.684 27.168 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.048 -12.771 25.782 1.00 0.00 C ATOM 0 H LEU B 28 101.031 -12.800 29.798 1.00 0.00 H new ATOM 0 HA LEU B 28 100.162 -11.035 27.504 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.694 -13.099 29.221 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.888 -12.023 28.097 1.00 0.00 H new ATOM 0 HG LEU B 28 100.187 -13.846 27.264 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.433 -15.363 26.349 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.296 -15.211 28.117 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.174 -14.325 27.058 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.288 -13.467 24.978 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.031 -12.402 25.651 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.744 -11.933 25.757 1.00 0.00 H new ATOM 1292 N PRO B 29 98.900 -9.403 29.082 1.00 0.00 N ATOM 1293 CA PRO B 29 98.465 -8.341 30.026 1.00 0.00 C ATOM 1294 C PRO B 29 97.524 -8.906 31.090 1.00 0.00 C ATOM 1295 O PRO B 29 96.980 -9.981 30.940 1.00 0.00 O ATOM 1296 CB PRO B 29 97.748 -7.302 29.137 1.00 0.00 C ATOM 1297 CG PRO B 29 97.422 -8.026 27.868 1.00 0.00 C ATOM 1298 CD PRO B 29 98.506 -9.090 27.696 1.00 0.00 C ATOM 0 HA PRO B 29 99.301 -7.904 30.573 1.00 0.00 H new ATOM 0 HB2 PRO B 29 96.845 -6.928 29.619 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.387 -6.440 28.945 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.434 -8.482 27.923 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.411 -7.341 27.020 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.126 -9.970 27.178 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.348 -8.716 27.114 1.00 0.00 H new ATOM 1306 N PRO B 30 97.338 -8.190 32.159 1.00 0.00 N ATOM 1307 CA PRO B 30 96.448 -8.635 33.266 1.00 0.00 C ATOM 1308 C PRO B 30 95.019 -8.866 32.779 1.00 0.00 C ATOM 1309 O PRO B 30 94.306 -9.701 33.285 1.00 0.00 O ATOM 1310 CB PRO B 30 96.501 -7.471 34.277 1.00 0.00 C ATOM 1311 CG PRO B 30 97.030 -6.299 33.508 1.00 0.00 C ATOM 1312 CD PRO B 30 97.941 -6.879 32.434 1.00 0.00 C ATOM 0 HA PRO B 30 96.767 -9.585 33.695 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.512 -7.259 34.685 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.148 -7.712 35.120 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.217 -5.726 33.062 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.579 -5.620 34.160 1.00 0.00 H new ATOM 0 HD2 PRO B 30 97.965 -6.251 31.543 1.00 0.00 H new ATOM 0 HD3 PRO B 30 98.969 -6.973 32.785 1.00 0.00 H new ATOM 1320 N VAL B 31 94.589 -8.117 31.812 1.00 0.00 N ATOM 1321 CA VAL B 31 93.198 -8.283 31.326 1.00 0.00 C ATOM 1322 C VAL B 31 92.971 -9.727 30.894 1.00 0.00 C ATOM 1323 O VAL B 31 91.989 -10.342 31.256 1.00 0.00 O ATOM 1324 CB VAL B 31 92.956 -7.349 30.133 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.507 -7.468 29.623 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.236 -5.903 30.560 1.00 0.00 C ATOM 0 H VAL B 31 95.137 -7.399 31.338 1.00 0.00 H new ATOM 0 HA VAL B 31 92.505 -8.034 32.130 1.00 0.00 H new ATOM 0 HB VAL B 31 93.627 -7.636 29.323 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.363 -6.796 28.777 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.315 -8.494 29.308 1.00 0.00 H new ATOM 0 HG13 VAL B 31 90.817 -7.199 30.422 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.066 -5.235 29.716 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.570 -5.630 31.379 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.271 -5.815 30.889 1.00 0.00 H new ATOM 1336 N VAL B 32 93.852 -10.276 30.117 1.00 0.00 N ATOM 1337 CA VAL B 32 93.641 -11.677 29.675 1.00 0.00 C ATOM 1338 C VAL B 32 93.760 -12.602 30.880 1.00 0.00 C ATOM 1339 O VAL B 32 92.912 -13.438 31.125 1.00 0.00 O ATOM 1340 CB VAL B 32 94.685 -12.049 28.625 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.459 -13.493 28.169 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.550 -11.104 27.430 1.00 0.00 C ATOM 0 H VAL B 32 94.699 -9.825 29.771 1.00 0.00 H new ATOM 0 HA VAL B 32 92.649 -11.779 29.235 1.00 0.00 H new ATOM 0 HB VAL B 32 95.685 -11.960 29.050 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.204 -13.759 27.419 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.550 -14.163 29.024 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.462 -13.587 27.739 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.293 -11.363 26.675 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.551 -11.197 27.003 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.710 -10.077 27.758 1.00 0.00 H new ATOM 1352 N ALA B 33 94.809 -12.459 31.639 1.00 0.00 N ATOM 1353 CA ALA B 33 94.987 -13.329 32.833 1.00 0.00 C ATOM 1354 C ALA B 33 93.867 -13.066 33.850 1.00 0.00 C ATOM 1355 O ALA B 33 93.274 -13.988 34.381 1.00 0.00 O ATOM 1356 CB ALA B 33 96.350 -13.043 33.471 1.00 0.00 C ATOM 0 H ALA B 33 95.551 -11.777 31.484 1.00 0.00 H new ATOM 0 HA ALA B 33 94.942 -14.374 32.527 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.483 -13.679 34.346 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.140 -13.249 32.749 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.398 -11.997 33.772 1.00 0.00 H new ATOM 1362 N LYS B 34 93.560 -11.821 34.129 1.00 0.00 N ATOM 1363 CA LYS B 34 92.471 -11.538 35.110 1.00 0.00 C ATOM 1364 C LYS B 34 91.153 -12.118 34.603 1.00 0.00 C ATOM 1365 O LYS B 34 90.334 -12.580 35.372 1.00 0.00 O ATOM 1366 CB LYS B 34 92.312 -10.027 35.322 1.00 0.00 C ATOM 1367 CG LYS B 34 93.517 -9.481 36.096 1.00 0.00 C ATOM 1368 CD LYS B 34 93.410 -7.953 36.199 1.00 0.00 C ATOM 1369 CE LYS B 34 92.234 -7.554 37.104 1.00 0.00 C ATOM 1370 NZ LYS B 34 90.984 -7.488 36.298 1.00 0.00 N ATOM 0 H LYS B 34 94.011 -11.000 33.725 1.00 0.00 H new ATOM 0 HA LYS B 34 92.736 -12.002 36.060 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.228 -9.522 34.359 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.393 -9.822 35.871 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.553 -9.922 37.092 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.443 -9.758 35.592 1.00 0.00 H new ATOM 0 HD2 LYS B 34 94.338 -7.544 36.598 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.274 -7.525 35.206 1.00 0.00 H new ATOM 0 HE2 LYS B 34 92.121 -8.278 37.911 1.00 0.00 H new ATOM 0 HE3 LYS B 34 92.431 -6.588 37.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 90.564 -6.541 36.386 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 91.204 -7.678 35.299 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 90.309 -8.199 36.645 1.00 0.00 H new ATOM 1384 N GLU B 35 90.922 -12.079 33.316 1.00 0.00 N ATOM 1385 CA GLU B 35 89.633 -12.612 32.793 1.00 0.00 C ATOM 1386 C GLU B 35 89.503 -14.102 33.133 1.00 0.00 C ATOM 1387 O GLU B 35 88.432 -14.571 33.460 1.00 0.00 O ATOM 1388 CB GLU B 35 89.552 -12.396 31.280 1.00 0.00 C ATOM 1389 CG GLU B 35 88.125 -12.684 30.793 1.00 0.00 C ATOM 1390 CD GLU B 35 87.886 -14.196 30.743 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.857 -14.936 30.709 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.732 -14.588 30.741 1.00 0.00 O ATOM 0 H GLU B 35 91.562 -11.706 32.614 1.00 0.00 H new ATOM 0 HA GLU B 35 88.809 -12.077 33.264 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.831 -11.372 31.034 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.260 -13.050 30.771 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.402 -12.215 31.460 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.974 -12.250 29.804 1.00 0.00 H new ATOM 1399 N ILE B 36 90.567 -14.856 33.053 1.00 0.00 N ATOM 1400 CA ILE B 36 90.464 -16.308 33.388 1.00 0.00 C ATOM 1401 C ILE B 36 89.978 -16.443 34.825 1.00 0.00 C ATOM 1402 O ILE B 36 89.161 -17.283 35.144 1.00 0.00 O ATOM 1403 CB ILE B 36 91.832 -16.979 33.218 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.287 -16.801 31.769 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.741 -18.480 33.542 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.616 -17.526 31.547 1.00 0.00 C ATOM 0 H ILE B 36 91.494 -14.535 32.773 1.00 0.00 H new ATOM 0 HA ILE B 36 89.757 -16.799 32.719 1.00 0.00 H new ATOM 0 HB ILE B 36 92.546 -16.519 33.901 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.530 -17.195 31.090 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.399 -15.741 31.542 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.721 -18.940 33.416 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.409 -18.610 34.572 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.028 -18.955 32.868 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.934 -17.395 30.513 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.372 -17.112 32.214 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.490 -18.588 31.756 1.00 0.00 H new ATOM 1418 N VAL B 37 90.471 -15.612 35.701 1.00 0.00 N ATOM 1419 CA VAL B 37 90.026 -15.685 37.120 1.00 0.00 C ATOM 1420 C VAL B 37 88.524 -15.415 37.160 1.00 0.00 C ATOM 1421 O VAL B 37 87.786 -16.039 37.894 1.00 0.00 O ATOM 1422 CB VAL B 37 90.766 -14.633 37.949 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.260 -14.670 39.391 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.268 -14.935 37.930 1.00 0.00 C ATOM 0 H VAL B 37 91.160 -14.888 35.496 1.00 0.00 H new ATOM 0 HA VAL B 37 90.243 -16.669 37.535 1.00 0.00 H new ATOM 0 HB VAL B 37 90.586 -13.645 37.526 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.787 -13.920 39.981 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.191 -14.458 39.407 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.440 -15.658 39.815 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.797 -14.187 38.520 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.446 -15.923 38.354 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.631 -14.910 36.903 1.00 0.00 H new ATOM 1434 N ALA B 38 88.070 -14.483 36.366 1.00 0.00 N ATOM 1435 CA ALA B 38 86.617 -14.157 36.341 1.00 0.00 C ATOM 1436 C ALA B 38 85.821 -15.401 35.938 1.00 0.00 C ATOM 1437 O ALA B 38 84.707 -15.602 36.376 1.00 0.00 O ATOM 1438 CB ALA B 38 86.358 -13.037 35.327 1.00 0.00 C ATOM 0 H ALA B 38 88.647 -13.931 35.731 1.00 0.00 H new ATOM 0 HA ALA B 38 86.304 -13.829 37.332 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.294 -12.800 35.310 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.923 -12.150 35.613 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.672 -13.364 34.336 1.00 0.00 H new ATOM 1444 N SER B 39 86.381 -16.238 35.108 1.00 0.00 N ATOM 1445 CA SER B 39 85.650 -17.465 34.684 1.00 0.00 C ATOM 1446 C SER B 39 85.732 -18.515 35.796 1.00 0.00 C ATOM 1447 O SER B 39 84.853 -19.341 35.948 1.00 0.00 O ATOM 1448 CB SER B 39 86.278 -18.022 33.406 1.00 0.00 C ATOM 1449 OG SER B 39 86.214 -17.032 32.385 1.00 0.00 O ATOM 0 H SER B 39 87.312 -16.125 34.706 1.00 0.00 H new ATOM 0 HA SER B 39 84.606 -17.218 34.493 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.314 -18.306 33.589 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.751 -18.923 33.090 1.00 0.00 H new ATOM 0 HG SER B 39 86.617 -17.383 31.563 1.00 0.00 H new ATOM 1455 N CYS B 40 86.780 -18.489 36.574 1.00 0.00 N ATOM 1456 CA CYS B 40 86.919 -19.484 37.679 1.00 0.00 C ATOM 1457 C CYS B 40 86.099 -19.023 38.885 1.00 0.00 C ATOM 1458 O CYS B 40 86.499 -18.148 39.624 1.00 0.00 O ATOM 1459 CB CYS B 40 88.388 -19.597 38.085 1.00 0.00 C ATOM 1460 SG CYS B 40 88.545 -20.811 39.421 1.00 0.00 S ATOM 0 H CYS B 40 87.547 -17.822 36.493 1.00 0.00 H new ATOM 0 HA CYS B 40 86.558 -20.454 37.338 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.992 -19.900 37.230 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.763 -18.627 38.413 1.00 0.00 H new ATOM 0 HG CYS B 40 89.450 -20.413 40.265 1.00 0.00 H new ATOM 1465 N ASP B 41 84.950 -19.606 39.084 1.00 0.00 N ATOM 1466 CA ASP B 41 84.095 -19.205 40.235 1.00 0.00 C ATOM 1467 C ASP B 41 84.829 -19.459 41.553 1.00 0.00 C ATOM 1468 O ASP B 41 84.617 -18.771 42.532 1.00 0.00 O ATOM 1469 CB ASP B 41 82.801 -20.022 40.216 1.00 0.00 C ATOM 1470 CG ASP B 41 81.946 -19.598 39.020 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.237 -18.559 38.449 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.019 -20.320 38.696 1.00 0.00 O ATOM 0 H ASP B 41 84.565 -20.346 38.497 1.00 0.00 H new ATOM 0 HA ASP B 41 83.866 -18.143 40.152 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.031 -21.086 40.153 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.249 -19.870 41.143 1.00 0.00 H new ATOM 1477 N LYS B 42 85.670 -20.454 41.599 1.00 0.00 N ATOM 1478 CA LYS B 42 86.385 -20.763 42.869 1.00 0.00 C ATOM 1479 C LYS B 42 87.385 -19.651 43.207 1.00 0.00 C ATOM 1480 O LYS B 42 87.526 -19.267 44.349 1.00 0.00 O ATOM 1481 CB LYS B 42 87.136 -22.089 42.703 1.00 0.00 C ATOM 1482 CG LYS B 42 86.123 -23.233 42.556 1.00 0.00 C ATOM 1483 CD LYS B 42 86.851 -24.570 42.329 1.00 0.00 C ATOM 1484 CE LYS B 42 87.280 -25.181 43.666 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.068 -25.482 44.478 1.00 0.00 N ATOM 0 H LYS B 42 85.893 -21.066 40.814 1.00 0.00 H new ATOM 0 HA LYS B 42 85.660 -20.837 43.680 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.783 -22.046 41.827 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.779 -22.266 43.565 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.504 -23.296 43.451 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.454 -23.029 41.720 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.196 -25.262 41.800 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.725 -24.412 41.697 1.00 0.00 H new ATOM 0 HE2 LYS B 42 87.854 -26.092 43.496 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.930 -24.490 44.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 86.245 -26.320 45.068 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.848 -24.669 45.088 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.264 -25.668 43.845 1.00 0.00 H new ATOM 1499 N CYS B 43 88.076 -19.123 42.230 1.00 0.00 N ATOM 1500 CA CYS B 43 89.059 -18.032 42.516 1.00 0.00 C ATOM 1501 C CYS B 43 88.359 -16.667 42.493 1.00 0.00 C ATOM 1502 O CYS B 43 88.779 -15.737 43.150 1.00 0.00 O ATOM 1503 CB CYS B 43 90.172 -18.047 41.461 1.00 0.00 C ATOM 1504 SG CYS B 43 91.223 -19.507 41.691 1.00 0.00 S ATOM 0 H CYS B 43 88.004 -19.398 41.250 1.00 0.00 H new ATOM 0 HA CYS B 43 89.487 -18.199 43.504 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.737 -18.055 40.462 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.772 -17.140 41.540 1.00 0.00 H new ATOM 0 HG CYS B 43 92.161 -19.512 40.791 1.00 0.00 H new ATOM 1509 N GLN B 44 87.310 -16.530 41.723 1.00 0.00 N ATOM 1510 CA GLN B 44 86.609 -15.211 41.640 1.00 0.00 C ATOM 1511 C GLN B 44 85.837 -14.917 42.931 1.00 0.00 C ATOM 1512 O GLN B 44 86.066 -13.924 43.589 1.00 0.00 O ATOM 1513 CB GLN B 44 85.633 -15.235 40.464 1.00 0.00 C ATOM 1514 CG GLN B 44 85.096 -13.824 40.209 1.00 0.00 C ATOM 1515 CD GLN B 44 83.947 -13.891 39.203 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.205 -12.942 39.044 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.771 -14.982 38.513 1.00 0.00 N ATOM 0 H GLN B 44 86.909 -17.272 41.149 1.00 0.00 H new ATOM 0 HA GLN B 44 87.355 -14.429 41.498 1.00 0.00 H new ATOM 0 HB2 GLN B 44 86.133 -15.611 39.571 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.808 -15.915 40.677 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.751 -13.380 41.143 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.891 -13.184 39.827 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.395 -15.777 38.648 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.009 -15.041 37.837 1.00 0.00 H new