USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 675 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 43 LYS NZ :NH3+ 171:sc= 1.15 (180deg=0.0758) USER MOD Set 1.2: A 45 THR OG1 : rot -100:sc= 0.376 USER MOD Set 2.1: A 35 ASN : amide:sc= 0.0135 X(o=0.029,f=-0.014) USER MOD Set 2.2: A 65 SER OG : rot 98:sc= 0.0153 USER MOD Single : A 12 THR OG1 : rot 171:sc= 0.277 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= -0.165 (180deg=-0.786) USER MOD Single : A 24 ASN : amide:sc= -2.02 K(o=-2,f=-0.84) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0955 K(o=-0.096,f=-1.9!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 110:sc= -0.119 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 99:sc= 0.199 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.087) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 64:sc= 1.24 USER MOD Single : A 58 TYR OH : rot -75:sc= 1.26 USER MOD Single : A 59 GLN : amide:sc= -1.69 K(o=-1.7,f=-0.22) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -131:sc=-0.00196 (180deg=-0.0697) USER MOD Single : A 74 SER OG : rot -8:sc= 0.549 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0279 X(o=-0.028,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 146.153 -6.661 10.958 1.00 0.00 N ATOM 50 CA GLU A 4 144.798 -6.477 11.463 1.00 0.00 C ATOM 51 C GLU A 4 143.850 -6.046 10.348 1.00 0.00 C ATOM 52 O GLU A 4 143.262 -4.964 10.403 1.00 0.00 O ATOM 53 CB GLU A 4 144.790 -5.441 12.589 1.00 0.00 C ATOM 54 CG GLU A 4 143.457 -5.342 13.316 1.00 0.00 C ATOM 55 CD GLU A 4 142.875 -3.943 13.284 1.00 0.00 C ATOM 56 OE1 GLU A 4 142.963 -3.287 12.223 1.00 0.00 O ATOM 57 OE2 GLU A 4 142.330 -3.502 14.317 1.00 0.00 O ATOM 0 HA GLU A 4 144.450 -7.433 11.855 1.00 0.00 H new ATOM 0 HB2 GLU A 4 145.569 -5.693 13.309 1.00 0.00 H new ATOM 0 HB3 GLU A 4 145.042 -4.465 12.175 1.00 0.00 H new ATOM 0 HG2 GLU A 4 142.749 -6.036 12.863 1.00 0.00 H new ATOM 0 HG3 GLU A 4 143.589 -5.652 14.352 1.00 0.00 H new ATOM 64 N ILE A 5 143.701 -6.897 9.336 1.00 0.00 N ATOM 65 CA ILE A 5 142.822 -6.603 8.211 1.00 0.00 C ATOM 66 C ILE A 5 141.446 -6.151 8.698 1.00 0.00 C ATOM 67 O ILE A 5 141.037 -6.477 9.813 1.00 0.00 O ATOM 68 CB ILE A 5 142.662 -7.827 7.287 1.00 0.00 C ATOM 69 CG1 ILE A 5 141.829 -7.462 6.056 1.00 0.00 C ATOM 70 CG2 ILE A 5 142.026 -8.986 8.040 1.00 0.00 C ATOM 71 CD1 ILE A 5 142.138 -8.314 4.843 1.00 0.00 C ATOM 0 H ILE A 5 144.179 -7.796 9.273 1.00 0.00 H new ATOM 0 HA ILE A 5 143.285 -5.795 7.644 1.00 0.00 H new ATOM 0 HB ILE A 5 143.652 -8.139 6.953 1.00 0.00 H new ATOM 0 HG12 ILE A 5 140.771 -7.562 6.300 1.00 0.00 H new ATOM 0 HG13 ILE A 5 142.001 -6.415 5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 5 141.921 -9.841 7.371 1.00 0.00 H new ATOM 0 HG22 ILE A 5 142.657 -9.261 8.885 1.00 0.00 H new ATOM 0 HG23 ILE A 5 141.043 -8.688 8.404 1.00 0.00 H new ATOM 0 HD11 ILE A 5 141.511 -8.000 4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 5 143.187 -8.196 4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 5 141.938 -9.361 5.073 1.00 0.00 H new ATOM 83 N ILE A 6 140.741 -5.395 7.865 1.00 0.00 N ATOM 84 CA ILE A 6 139.419 -4.896 8.229 1.00 0.00 C ATOM 85 C ILE A 6 138.350 -5.368 7.246 1.00 0.00 C ATOM 86 O ILE A 6 137.585 -6.286 7.541 1.00 0.00 O ATOM 87 CB ILE A 6 139.387 -3.353 8.306 1.00 0.00 C ATOM 88 CG1 ILE A 6 140.486 -2.736 7.434 1.00 0.00 C ATOM 89 CG2 ILE A 6 139.536 -2.894 9.748 1.00 0.00 C ATOM 90 CD1 ILE A 6 140.203 -1.303 7.033 1.00 0.00 C ATOM 0 H ILE A 6 141.060 -5.115 6.937 1.00 0.00 H new ATOM 0 HA ILE A 6 139.202 -5.303 9.217 1.00 0.00 H new ATOM 0 HB ILE A 6 138.423 -3.014 7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 6 141.432 -2.774 7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 6 140.608 -3.340 6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 6 139.512 -1.805 9.788 1.00 0.00 H new ATOM 0 HG22 ILE A 6 138.718 -3.297 10.345 1.00 0.00 H new ATOM 0 HG23 ILE A 6 140.486 -3.250 10.147 1.00 0.00 H new ATOM 0 HD11 ILE A 6 141.021 -0.929 6.417 1.00 0.00 H new ATOM 0 HD12 ILE A 6 139.273 -1.261 6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 6 140.111 -0.686 7.927 1.00 0.00 H new ATOM 102 N GLU A 7 138.293 -4.728 6.084 1.00 0.00 N ATOM 103 CA GLU A 7 137.307 -5.075 5.068 1.00 0.00 C ATOM 104 C GLU A 7 137.976 -5.388 3.732 1.00 0.00 C ATOM 105 O GLU A 7 139.200 -5.476 3.645 1.00 0.00 O ATOM 106 CB GLU A 7 136.315 -3.925 4.892 1.00 0.00 C ATOM 107 CG GLU A 7 135.548 -3.585 6.160 1.00 0.00 C ATOM 108 CD GLU A 7 134.507 -4.630 6.511 1.00 0.00 C ATOM 109 OE1 GLU A 7 134.619 -5.771 6.013 1.00 0.00 O ATOM 110 OE2 GLU A 7 133.579 -4.309 7.282 1.00 0.00 O ATOM 0 H GLU A 7 138.918 -3.966 5.822 1.00 0.00 H new ATOM 0 HA GLU A 7 136.778 -5.968 5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 7 136.854 -3.040 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 7 135.605 -4.185 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 7 136.249 -3.484 6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 7 135.060 -2.618 6.036 1.00 0.00 H new ATOM 117 N ILE A 8 137.163 -5.548 2.694 1.00 0.00 N ATOM 118 CA ILE A 8 137.674 -5.839 1.360 1.00 0.00 C ATOM 119 C ILE A 8 137.056 -4.912 0.317 1.00 0.00 C ATOM 120 O ILE A 8 137.266 -5.088 -0.884 1.00 0.00 O ATOM 121 CB ILE A 8 137.402 -7.303 0.957 1.00 0.00 C ATOM 122 CG1 ILE A 8 135.897 -7.596 0.977 1.00 0.00 C ATOM 123 CG2 ILE A 8 138.152 -8.256 1.876 1.00 0.00 C ATOM 124 CD1 ILE A 8 135.312 -7.709 2.370 1.00 0.00 C ATOM 0 H ILE A 8 136.147 -5.481 2.751 1.00 0.00 H new ATOM 0 HA ILE A 8 138.751 -5.675 1.394 1.00 0.00 H new ATOM 0 HB ILE A 8 137.764 -7.455 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 8 135.376 -6.805 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 8 135.711 -8.525 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 8 137.949 -9.285 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 8 139.222 -8.062 1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 8 137.823 -8.105 2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 8 134.244 -7.917 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 8 135.805 -8.519 2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 8 135.465 -6.772 2.906 1.00 0.00 H new ATOM 136 N GLY A 9 136.292 -3.923 0.779 1.00 0.00 N ATOM 137 CA GLY A 9 135.658 -2.986 -0.129 1.00 0.00 C ATOM 138 C GLY A 9 136.394 -1.662 -0.192 1.00 0.00 C ATOM 139 O GLY A 9 137.197 -1.438 -1.098 1.00 0.00 O ATOM 0 H GLY A 9 136.102 -3.756 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 9 135.614 -3.423 -1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 9 134.630 -2.813 0.189 1.00 0.00 H new ATOM 143 N PRO A 10 136.144 -0.759 0.773 1.00 0.00 N ATOM 144 CA PRO A 10 136.802 0.550 0.819 1.00 0.00 C ATOM 145 C PRO A 10 138.291 0.424 1.121 1.00 0.00 C ATOM 146 O PRO A 10 139.117 1.112 0.520 1.00 0.00 O ATOM 147 CB PRO A 10 136.083 1.275 1.959 1.00 0.00 C ATOM 148 CG PRO A 10 135.544 0.188 2.822 1.00 0.00 C ATOM 149 CD PRO A 10 135.207 -0.947 1.895 1.00 0.00 C ATOM 0 HA PRO A 10 136.741 1.075 -0.134 1.00 0.00 H new ATOM 0 HB2 PRO A 10 136.768 1.917 2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 10 135.284 1.912 1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 10 136.279 -0.120 3.566 1.00 0.00 H new ATOM 0 HG3 PRO A 10 134.661 0.523 3.366 1.00 0.00 H new ATOM 0 HD2 PRO A 10 135.346 -1.915 2.377 1.00 0.00 H new ATOM 0 HD3 PRO A 10 134.169 -0.902 1.564 1.00 0.00 H new ATOM 157 N PHE A 11 138.627 -0.464 2.053 1.00 0.00 N ATOM 158 CA PHE A 11 140.014 -0.695 2.439 1.00 0.00 C ATOM 159 C PHE A 11 140.902 -0.855 1.204 1.00 0.00 C ATOM 160 O PHE A 11 141.950 -0.218 1.094 1.00 0.00 O ATOM 161 CB PHE A 11 140.105 -1.940 3.333 1.00 0.00 C ATOM 162 CG PHE A 11 141.509 -2.379 3.668 1.00 0.00 C ATOM 163 CD1 PHE A 11 142.584 -1.512 3.537 1.00 0.00 C ATOM 164 CD2 PHE A 11 141.749 -3.668 4.117 1.00 0.00 C ATOM 165 CE1 PHE A 11 143.868 -1.924 3.848 1.00 0.00 C ATOM 166 CE2 PHE A 11 143.029 -4.085 4.428 1.00 0.00 C ATOM 167 CZ PHE A 11 144.090 -3.212 4.292 1.00 0.00 C ATOM 0 H PHE A 11 137.952 -1.038 2.557 1.00 0.00 H new ATOM 0 HA PHE A 11 140.370 0.170 2.999 1.00 0.00 H new ATOM 0 HB2 PHE A 11 139.570 -1.742 4.262 1.00 0.00 H new ATOM 0 HB3 PHE A 11 139.591 -2.764 2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 11 142.417 -0.504 3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 11 140.924 -4.356 4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 11 144.696 -1.238 3.743 1.00 0.00 H new ATOM 0 HE2 PHE A 11 143.199 -5.093 4.777 1.00 0.00 H new ATOM 0 HZ PHE A 11 145.092 -3.536 4.533 1.00 0.00 H new ATOM 177 N THR A 12 140.469 -1.698 0.276 1.00 0.00 N ATOM 178 CA THR A 12 141.219 -1.931 -0.952 1.00 0.00 C ATOM 179 C THR A 12 141.167 -0.702 -1.856 1.00 0.00 C ATOM 180 O THR A 12 142.199 -0.118 -2.201 1.00 0.00 O ATOM 181 CB THR A 12 140.660 -3.152 -1.687 1.00 0.00 C ATOM 182 OG1 THR A 12 139.450 -3.588 -1.095 1.00 0.00 O ATOM 183 CG2 THR A 12 141.609 -4.331 -1.709 1.00 0.00 C ATOM 0 H THR A 12 139.603 -2.232 0.350 1.00 0.00 H new ATOM 0 HA THR A 12 142.260 -2.122 -0.690 1.00 0.00 H new ATOM 0 HB THR A 12 140.501 -2.817 -2.712 1.00 0.00 H new ATOM 0 HG1 THR A 12 139.038 -4.274 -1.660 1.00 0.00 H new ATOM 0 HG21 THR A 12 141.147 -5.160 -2.246 1.00 0.00 H new ATOM 0 HG22 THR A 12 142.534 -4.044 -2.210 1.00 0.00 H new ATOM 0 HG23 THR A 12 141.830 -4.639 -0.687 1.00 0.00 H new ATOM 191 N GLN A 13 139.955 -0.308 -2.230 1.00 0.00 N ATOM 192 CA GLN A 13 139.762 0.853 -3.089 1.00 0.00 C ATOM 193 C GLN A 13 140.527 2.058 -2.550 1.00 0.00 C ATOM 194 O GLN A 13 140.916 2.947 -3.309 1.00 0.00 O ATOM 195 CB GLN A 13 138.272 1.181 -3.202 1.00 0.00 C ATOM 196 CG GLN A 13 137.977 2.393 -4.070 1.00 0.00 C ATOM 197 CD GLN A 13 136.619 2.999 -3.780 1.00 0.00 C ATOM 198 OE1 GLN A 13 135.629 2.286 -3.622 1.00 0.00 O ATOM 199 NE2 GLN A 13 136.565 4.325 -3.709 1.00 0.00 N ATOM 0 H GLN A 13 139.092 -0.775 -1.952 1.00 0.00 H new ATOM 0 HA GLN A 13 140.150 0.617 -4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 13 137.749 0.317 -3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 13 137.870 1.354 -2.204 1.00 0.00 H new ATOM 0 HG2 GLN A 13 138.749 3.146 -3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 13 138.025 2.104 -5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 13 137.411 4.878 -3.847 1.00 0.00 H new ATOM 0 HE22 GLN A 13 135.678 4.790 -3.517 1.00 0.00 H new ATOM 208 N ASN A 14 140.747 2.081 -1.236 1.00 0.00 N ATOM 209 CA ASN A 14 141.471 3.174 -0.604 1.00 0.00 C ATOM 210 C ASN A 14 142.825 3.367 -1.260 1.00 0.00 C ATOM 211 O ASN A 14 143.089 4.418 -1.848 1.00 0.00 O ATOM 212 CB ASN A 14 141.641 2.914 0.895 1.00 0.00 C ATOM 213 CG ASN A 14 141.395 4.157 1.729 1.00 0.00 C ATOM 214 OD1 ASN A 14 140.287 4.381 2.216 1.00 0.00 O ATOM 215 ND2 ASN A 14 142.428 4.973 1.893 1.00 0.00 N ATOM 0 H ASN A 14 140.433 1.355 -0.592 1.00 0.00 H new ATOM 0 HA ASN A 14 140.889 4.086 -0.733 1.00 0.00 H new ATOM 0 HB2 ASN A 14 140.951 2.129 1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 14 142.649 2.546 1.085 1.00 0.00 H new ATOM 0 HD21 ASN A 14 142.322 5.826 2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 14 143.329 4.747 1.471 1.00 0.00 H new ATOM 222 N LEU A 15 143.683 2.349 -1.183 1.00 0.00 N ATOM 223 CA LEU A 15 144.995 2.440 -1.808 1.00 0.00 C ATOM 224 C LEU A 15 144.835 2.925 -3.239 1.00 0.00 C ATOM 225 O LEU A 15 145.692 3.626 -3.768 1.00 0.00 O ATOM 226 CB LEU A 15 145.724 1.095 -1.791 1.00 0.00 C ATOM 227 CG LEU A 15 147.058 1.067 -2.552 1.00 0.00 C ATOM 228 CD1 LEU A 15 146.819 0.860 -4.040 1.00 0.00 C ATOM 229 CD2 LEU A 15 147.848 2.346 -2.310 1.00 0.00 C ATOM 0 H LEU A 15 143.495 1.469 -0.703 1.00 0.00 H new ATOM 0 HA LEU A 15 145.597 3.147 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 15 145.909 0.813 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 15 145.066 0.337 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 15 147.646 0.229 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 15 147.775 0.843 -4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 15 146.302 -0.087 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 15 146.208 1.675 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 15 148.788 2.302 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 15 147.267 3.203 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 15 148.055 2.450 -1.245 1.00 0.00 H new ATOM 241 N GLY A 16 143.706 2.566 -3.851 1.00 0.00 N ATOM 242 CA GLY A 16 143.438 3.000 -5.207 1.00 0.00 C ATOM 243 C GLY A 16 143.566 4.503 -5.342 1.00 0.00 C ATOM 244 O GLY A 16 144.172 5.002 -6.294 1.00 0.00 O ATOM 0 H GLY A 16 142.979 1.986 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 16 144.132 2.511 -5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 16 142.434 2.691 -5.498 1.00 0.00 H new ATOM 248 N LYS A 17 143.012 5.230 -4.370 1.00 0.00 N ATOM 249 CA LYS A 17 143.092 6.685 -4.378 1.00 0.00 C ATOM 250 C LYS A 17 144.551 7.123 -4.319 1.00 0.00 C ATOM 251 O LYS A 17 145.026 7.875 -5.172 1.00 0.00 O ATOM 252 CB LYS A 17 142.316 7.271 -3.197 1.00 0.00 C ATOM 253 CG LYS A 17 141.771 8.665 -3.458 1.00 0.00 C ATOM 254 CD LYS A 17 140.568 8.628 -4.387 1.00 0.00 C ATOM 255 CE LYS A 17 139.262 8.702 -3.610 1.00 0.00 C ATOM 256 NZ LYS A 17 139.139 9.976 -2.849 1.00 0.00 N ATOM 0 H LYS A 17 142.508 4.836 -3.575 1.00 0.00 H new ATOM 0 HA LYS A 17 142.646 7.056 -5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 17 141.488 6.606 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 17 142.968 7.303 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 17 141.488 9.129 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 17 142.552 9.286 -3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 17 140.623 9.460 -5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 17 140.590 7.712 -4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 17 138.423 8.609 -4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 17 139.202 7.860 -2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 138.135 10.235 -2.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 139.546 9.854 -1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 139.650 10.731 -3.350 1.00 0.00 H new ATOM 270 N PHE A 18 145.265 6.627 -3.312 1.00 0.00 N ATOM 271 CA PHE A 18 146.677 6.950 -3.148 1.00 0.00 C ATOM 272 C PHE A 18 147.498 6.358 -4.286 1.00 0.00 C ATOM 273 O PHE A 18 148.640 6.752 -4.510 1.00 0.00 O ATOM 274 CB PHE A 18 147.196 6.423 -1.807 1.00 0.00 C ATOM 275 CG PHE A 18 146.734 7.220 -0.623 1.00 0.00 C ATOM 276 CD1 PHE A 18 145.497 6.974 -0.047 1.00 0.00 C ATOM 277 CD2 PHE A 18 147.536 8.213 -0.081 1.00 0.00 C ATOM 278 CE1 PHE A 18 145.067 7.704 1.045 1.00 0.00 C ATOM 279 CE2 PHE A 18 147.111 8.947 1.011 1.00 0.00 C ATOM 280 CZ PHE A 18 145.876 8.692 1.574 1.00 0.00 C ATOM 0 H PHE A 18 144.889 6.001 -2.599 1.00 0.00 H new ATOM 0 HA PHE A 18 146.780 8.035 -3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 18 146.874 5.389 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 18 148.286 6.418 -1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 18 144.862 6.203 -0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 18 148.503 8.415 -0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 18 144.101 7.503 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 18 147.744 9.719 1.423 1.00 0.00 H new ATOM 0 HZ PHE A 18 145.543 9.264 2.427 1.00 0.00 H new ATOM 290 N ALA A 19 146.908 5.410 -5.000 1.00 0.00 N ATOM 291 CA ALA A 19 147.579 4.756 -6.116 1.00 0.00 C ATOM 292 C ALA A 19 147.971 5.766 -7.185 1.00 0.00 C ATOM 293 O ALA A 19 149.154 5.991 -7.433 1.00 0.00 O ATOM 294 CB ALA A 19 146.686 3.676 -6.710 1.00 0.00 C ATOM 0 H ALA A 19 145.961 5.075 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 19 148.490 4.291 -5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 19 147.200 3.196 -7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 19 146.458 2.932 -5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 19 145.759 4.126 -7.067 1.00 0.00 H new ATOM 300 N VAL A 20 146.973 6.377 -7.809 1.00 0.00 N ATOM 301 CA VAL A 20 147.224 7.370 -8.846 1.00 0.00 C ATOM 302 C VAL A 20 147.981 8.566 -8.280 1.00 0.00 C ATOM 303 O VAL A 20 148.740 9.225 -8.990 1.00 0.00 O ATOM 304 CB VAL A 20 145.910 7.857 -9.494 1.00 0.00 C ATOM 305 CG1 VAL A 20 145.013 8.519 -8.458 1.00 0.00 C ATOM 306 CG2 VAL A 20 146.202 8.808 -10.646 1.00 0.00 C ATOM 0 H VAL A 20 145.986 6.204 -7.617 1.00 0.00 H new ATOM 0 HA VAL A 20 147.832 6.887 -9.611 1.00 0.00 H new ATOM 0 HB VAL A 20 145.382 6.991 -9.894 1.00 0.00 H new ATOM 0 HG11 VAL A 20 144.092 8.855 -8.935 1.00 0.00 H new ATOM 0 HG12 VAL A 20 144.774 7.802 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 20 145.529 9.375 -8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 20 145.264 9.140 -11.090 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.754 9.671 -10.274 1.00 0.00 H new ATOM 0 HG23 VAL A 20 146.798 8.294 -11.400 1.00 0.00 H new ATOM 316 N ASP A 21 147.775 8.836 -6.995 1.00 0.00 N ATOM 317 CA ASP A 21 148.445 9.951 -6.336 1.00 0.00 C ATOM 318 C ASP A 21 149.876 9.580 -5.947 1.00 0.00 C ATOM 319 O ASP A 21 150.712 10.457 -5.727 1.00 0.00 O ATOM 320 CB ASP A 21 147.661 10.379 -5.093 1.00 0.00 C ATOM 321 CG ASP A 21 146.693 11.509 -5.382 1.00 0.00 C ATOM 322 OD1 ASP A 21 145.969 11.426 -6.397 1.00 0.00 O ATOM 323 OD2 ASP A 21 146.659 12.478 -4.595 1.00 0.00 O ATOM 0 H ASP A 21 147.152 8.300 -6.391 1.00 0.00 H new ATOM 0 HA ASP A 21 148.486 10.783 -7.039 1.00 0.00 H new ATOM 0 HB2 ASP A 21 147.110 9.524 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 21 148.359 10.692 -4.316 1.00 0.00 H new ATOM 328 N GLU A 22 150.150 8.281 -5.853 1.00 0.00 N ATOM 329 CA GLU A 22 151.479 7.805 -5.479 1.00 0.00 C ATOM 330 C GLU A 22 152.238 7.256 -6.685 1.00 0.00 C ATOM 331 O GLU A 22 153.464 7.169 -6.664 1.00 0.00 O ATOM 332 CB GLU A 22 151.375 6.726 -4.400 1.00 0.00 C ATOM 333 CG GLU A 22 151.049 7.261 -3.011 1.00 0.00 C ATOM 334 CD GLU A 22 150.178 8.505 -3.032 1.00 0.00 C ATOM 335 OE1 GLU A 22 150.705 9.591 -3.356 1.00 0.00 O ATOM 336 OE2 GLU A 22 148.974 8.395 -2.719 1.00 0.00 O ATOM 0 H GLU A 22 149.471 7.541 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 22 152.034 8.657 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 22 150.606 6.010 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 22 152.318 6.181 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 22 150.544 6.482 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 22 151.979 7.487 -2.489 1.00 0.00 H new ATOM 343 N GLU A 23 151.509 6.884 -7.733 1.00 0.00 N ATOM 344 CA GLU A 23 152.131 6.345 -8.939 1.00 0.00 C ATOM 345 C GLU A 23 153.287 7.234 -9.391 1.00 0.00 C ATOM 346 O GLU A 23 154.257 6.760 -9.983 1.00 0.00 O ATOM 347 CB GLU A 23 151.095 6.215 -10.059 1.00 0.00 C ATOM 348 CG GLU A 23 150.785 4.774 -10.435 1.00 0.00 C ATOM 349 CD GLU A 23 151.111 4.463 -11.882 1.00 0.00 C ATOM 350 OE1 GLU A 23 151.005 5.379 -12.725 1.00 0.00 O ATOM 351 OE2 GLU A 23 151.476 3.303 -12.172 1.00 0.00 O ATOM 0 H GLU A 23 150.492 6.945 -7.772 1.00 0.00 H new ATOM 0 HA GLU A 23 152.526 5.355 -8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 23 150.173 6.708 -9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 23 151.457 6.742 -10.941 1.00 0.00 H new ATOM 0 HG2 GLU A 23 151.351 4.104 -9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 23 149.729 4.575 -10.254 1.00 0.00 H new ATOM 358 N ASN A 24 153.173 8.525 -9.101 1.00 0.00 N ATOM 359 CA ASN A 24 154.206 9.487 -9.468 1.00 0.00 C ATOM 360 C ASN A 24 155.305 9.545 -8.407 1.00 0.00 C ATOM 361 O ASN A 24 156.447 9.894 -8.705 1.00 0.00 O ATOM 362 CB ASN A 24 153.593 10.876 -9.659 1.00 0.00 C ATOM 363 CG ASN A 24 153.149 11.119 -11.088 1.00 0.00 C ATOM 364 OD1 ASN A 24 153.837 11.789 -11.857 1.00 0.00 O ATOM 365 ND2 ASN A 24 151.992 10.576 -11.450 1.00 0.00 N ATOM 0 H ASN A 24 152.375 8.930 -8.612 1.00 0.00 H new ATOM 0 HA ASN A 24 154.652 9.160 -10.407 1.00 0.00 H new ATOM 0 HB2 ASN A 24 152.739 10.988 -8.992 1.00 0.00 H new ATOM 0 HB3 ASN A 24 154.322 11.634 -9.374 1.00 0.00 H new ATOM 0 HD21 ASN A 24 151.642 10.708 -12.399 1.00 0.00 H new ATOM 0 HD22 ASN A 24 151.454 10.028 -10.779 1.00 0.00 H new ATOM 372 N LYS A 25 154.953 9.207 -7.168 1.00 0.00 N ATOM 373 CA LYS A 25 155.913 9.228 -6.068 1.00 0.00 C ATOM 374 C LYS A 25 157.099 8.304 -6.354 1.00 0.00 C ATOM 375 O LYS A 25 158.106 8.738 -6.913 1.00 0.00 O ATOM 376 CB LYS A 25 155.231 8.836 -4.753 1.00 0.00 C ATOM 377 CG LYS A 25 154.923 10.021 -3.851 1.00 0.00 C ATOM 378 CD LYS A 25 155.474 9.815 -2.449 1.00 0.00 C ATOM 379 CE LYS A 25 156.994 9.781 -2.447 1.00 0.00 C ATOM 380 NZ LYS A 25 157.537 9.299 -1.148 1.00 0.00 N ATOM 0 H LYS A 25 154.012 8.916 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 25 156.294 10.245 -5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 25 154.303 8.310 -4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 25 155.872 8.137 -4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 25 155.350 10.927 -4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 25 153.844 10.170 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 25 155.126 10.618 -1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 25 155.088 8.882 -2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 25 157.344 9.132 -3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 25 157.380 10.779 -2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 158.576 9.291 -1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 157.225 9.933 -0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 157.190 8.336 -0.962 1.00 0.00 H new ATOM 394 N ILE A 26 156.983 7.032 -5.968 1.00 0.00 N ATOM 395 CA ILE A 26 158.057 6.071 -6.189 1.00 0.00 C ATOM 396 C ILE A 26 158.508 6.061 -7.650 1.00 0.00 C ATOM 397 O ILE A 26 159.699 5.945 -7.941 1.00 0.00 O ATOM 398 CB ILE A 26 157.634 4.647 -5.765 1.00 0.00 C ATOM 399 CG1 ILE A 26 158.870 3.777 -5.523 1.00 0.00 C ATOM 400 CG2 ILE A 26 156.713 4.011 -6.800 1.00 0.00 C ATOM 401 CD1 ILE A 26 158.546 2.337 -5.188 1.00 0.00 C ATOM 0 H ILE A 26 156.160 6.648 -5.504 1.00 0.00 H new ATOM 0 HA ILE A 26 158.896 6.387 -5.568 1.00 0.00 H new ATOM 0 HB ILE A 26 157.075 4.722 -4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 26 159.500 3.801 -6.412 1.00 0.00 H new ATOM 0 HG13 ILE A 26 159.452 4.208 -4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 26 156.434 3.010 -6.472 1.00 0.00 H new ATOM 0 HG22 ILE A 26 155.816 4.620 -6.912 1.00 0.00 H new ATOM 0 HG23 ILE A 26 157.230 3.948 -7.757 1.00 0.00 H new ATOM 0 HD11 ILE A 26 159.471 1.783 -5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 26 157.943 2.301 -4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 26 157.990 1.888 -6.011 1.00 0.00 H new ATOM 413 N GLY A 27 157.548 6.181 -8.561 1.00 0.00 N ATOM 414 CA GLY A 27 157.866 6.181 -9.977 1.00 0.00 C ATOM 415 C GLY A 27 158.228 7.561 -10.489 1.00 0.00 C ATOM 416 O GLY A 27 158.265 8.525 -9.725 1.00 0.00 O ATOM 0 H GLY A 27 156.556 6.278 -8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 27 158.697 5.499 -10.160 1.00 0.00 H new ATOM 0 HA3 GLY A 27 157.012 5.801 -10.538 1.00 0.00 H new ATOM 420 N GLN A 28 158.495 7.656 -11.789 1.00 0.00 N ATOM 421 CA GLN A 28 158.856 8.929 -12.403 1.00 0.00 C ATOM 422 C GLN A 28 157.629 9.613 -12.995 1.00 0.00 C ATOM 423 O GLN A 28 157.427 10.814 -12.811 1.00 0.00 O ATOM 424 CB GLN A 28 159.909 8.711 -13.492 1.00 0.00 C ATOM 425 CG GLN A 28 160.966 9.801 -13.542 1.00 0.00 C ATOM 426 CD GLN A 28 161.647 9.890 -14.893 1.00 0.00 C ATOM 427 OE1 GLN A 28 161.107 9.447 -15.905 1.00 0.00 O ATOM 428 NE2 GLN A 28 162.844 10.466 -14.914 1.00 0.00 N ATOM 0 H GLN A 28 158.468 6.868 -12.436 1.00 0.00 H new ATOM 0 HA GLN A 28 159.271 9.575 -11.629 1.00 0.00 H new ATOM 0 HB2 GLN A 28 160.397 7.750 -13.327 1.00 0.00 H new ATOM 0 HB3 GLN A 28 159.412 8.654 -14.460 1.00 0.00 H new ATOM 0 HG2 GLN A 28 160.505 10.760 -13.308 1.00 0.00 H new ATOM 0 HG3 GLN A 28 161.715 9.611 -12.773 1.00 0.00 H new ATOM 0 HE21 GLN A 28 163.255 10.820 -14.050 1.00 0.00 H new ATOM 0 HE22 GLN A 28 163.352 10.554 -15.794 1.00 0.00 H new ATOM 437 N TYR A 29 156.813 8.843 -13.705 1.00 0.00 N ATOM 438 CA TYR A 29 155.604 9.375 -14.324 1.00 0.00 C ATOM 439 C TYR A 29 154.437 8.405 -14.159 1.00 0.00 C ATOM 440 O TYR A 29 154.503 7.259 -14.605 1.00 0.00 O ATOM 441 CB TYR A 29 155.845 9.655 -15.809 1.00 0.00 C ATOM 442 CG TYR A 29 155.328 11.001 -16.262 1.00 0.00 C ATOM 443 CD1 TYR A 29 155.921 12.178 -15.823 1.00 0.00 C ATOM 444 CD2 TYR A 29 154.247 11.095 -17.129 1.00 0.00 C ATOM 445 CE1 TYR A 29 155.452 13.410 -16.236 1.00 0.00 C ATOM 446 CE2 TYR A 29 153.770 12.324 -17.546 1.00 0.00 C ATOM 447 CZ TYR A 29 154.377 13.477 -17.097 1.00 0.00 C ATOM 448 OH TYR A 29 153.905 14.702 -17.510 1.00 0.00 O ATOM 0 H TYR A 29 156.966 7.848 -13.867 1.00 0.00 H new ATOM 0 HA TYR A 29 155.350 10.309 -13.823 1.00 0.00 H new ATOM 0 HB2 TYR A 29 156.914 9.599 -16.012 1.00 0.00 H new ATOM 0 HB3 TYR A 29 155.367 8.874 -16.400 1.00 0.00 H new ATOM 0 HD1 TYR A 29 156.762 12.129 -15.148 1.00 0.00 H new ATOM 0 HD2 TYR A 29 153.771 10.193 -17.484 1.00 0.00 H new ATOM 0 HE1 TYR A 29 155.925 14.316 -15.886 1.00 0.00 H new ATOM 0 HE2 TYR A 29 152.927 12.380 -18.219 1.00 0.00 H new ATOM 0 HH TYR A 29 153.145 14.573 -18.115 1.00 0.00 H new ATOM 458 N GLY A 30 153.373 8.870 -13.515 1.00 0.00 N ATOM 459 CA GLY A 30 152.209 8.031 -13.302 1.00 0.00 C ATOM 460 C GLY A 30 151.303 7.975 -14.516 1.00 0.00 C ATOM 461 O GLY A 30 151.595 8.582 -15.546 1.00 0.00 O ATOM 0 H GLY A 30 153.296 9.814 -13.136 1.00 0.00 H new ATOM 0 HA2 GLY A 30 152.534 7.022 -13.049 1.00 0.00 H new ATOM 0 HA3 GLY A 30 151.645 8.408 -12.449 1.00 0.00 H new ATOM 465 N ARG A 31 150.200 7.243 -14.395 1.00 0.00 N ATOM 466 CA ARG A 31 149.248 7.110 -15.491 1.00 0.00 C ATOM 467 C ARG A 31 147.900 6.601 -14.977 1.00 0.00 C ATOM 468 O ARG A 31 147.602 6.711 -13.789 1.00 0.00 O ATOM 469 CB ARG A 31 149.809 6.167 -16.563 1.00 0.00 C ATOM 470 CG ARG A 31 149.840 4.704 -16.145 1.00 0.00 C ATOM 471 CD ARG A 31 149.501 3.782 -17.308 1.00 0.00 C ATOM 472 NE ARG A 31 148.172 4.049 -17.856 1.00 0.00 N ATOM 473 CZ ARG A 31 147.946 4.782 -18.946 1.00 0.00 C ATOM 474 NH1 ARG A 31 148.953 5.351 -19.599 1.00 0.00 N ATOM 475 NH2 ARG A 31 146.705 4.956 -19.381 1.00 0.00 N ATOM 0 H ARG A 31 149.944 6.733 -13.549 1.00 0.00 H new ATOM 0 HA ARG A 31 149.090 8.092 -15.937 1.00 0.00 H new ATOM 0 HB2 ARG A 31 149.208 6.263 -17.467 1.00 0.00 H new ATOM 0 HB3 ARG A 31 150.821 6.483 -16.817 1.00 0.00 H new ATOM 0 HG2 ARG A 31 150.829 4.456 -15.760 1.00 0.00 H new ATOM 0 HG3 ARG A 31 149.131 4.542 -15.333 1.00 0.00 H new ATOM 0 HD2 ARG A 31 150.247 3.902 -18.094 1.00 0.00 H new ATOM 0 HD3 ARG A 31 149.553 2.746 -16.975 1.00 0.00 H new ATOM 0 HE ARG A 31 147.367 3.649 -17.374 1.00 0.00 H new ATOM 0 HH11 ARG A 31 149.910 5.229 -19.267 1.00 0.00 H new ATOM 0 HH12 ARG A 31 148.770 5.910 -20.432 1.00 0.00 H new ATOM 0 HH21 ARG A 31 145.925 4.529 -18.881 1.00 0.00 H new ATOM 0 HH22 ARG A 31 146.531 5.517 -20.215 1.00 0.00 H new ATOM 489 N LEU A 32 147.090 6.048 -15.877 1.00 0.00 N ATOM 490 CA LEU A 32 145.779 5.530 -15.503 1.00 0.00 C ATOM 491 C LEU A 32 145.907 4.190 -14.786 1.00 0.00 C ATOM 492 O LEU A 32 146.055 3.145 -15.420 1.00 0.00 O ATOM 493 CB LEU A 32 144.895 5.374 -16.742 1.00 0.00 C ATOM 494 CG LEU A 32 143.402 5.601 -16.503 1.00 0.00 C ATOM 495 CD1 LEU A 32 142.673 5.794 -17.825 1.00 0.00 C ATOM 496 CD2 LEU A 32 142.803 4.439 -15.726 1.00 0.00 C ATOM 0 H LEU A 32 147.318 5.948 -16.866 1.00 0.00 H new ATOM 0 HA LEU A 32 145.316 6.244 -14.822 1.00 0.00 H new ATOM 0 HB2 LEU A 32 145.236 6.075 -17.504 1.00 0.00 H new ATOM 0 HB3 LEU A 32 145.035 4.371 -17.146 1.00 0.00 H new ATOM 0 HG LEU A 32 143.282 6.508 -15.910 1.00 0.00 H new ATOM 0 HD11 LEU A 32 141.612 5.954 -17.635 1.00 0.00 H new ATOM 0 HD12 LEU A 32 143.084 6.660 -18.344 1.00 0.00 H new ATOM 0 HD13 LEU A 32 142.801 4.906 -18.444 1.00 0.00 H new ATOM 0 HD21 LEU A 32 141.740 4.618 -15.565 1.00 0.00 H new ATOM 0 HD22 LEU A 32 142.934 3.517 -16.292 1.00 0.00 H new ATOM 0 HD23 LEU A 32 143.305 4.348 -14.763 1.00 0.00 H new ATOM 508 N THR A 33 145.851 4.230 -13.458 1.00 0.00 N ATOM 509 CA THR A 33 145.962 3.019 -12.651 1.00 0.00 C ATOM 510 C THR A 33 144.752 2.862 -11.733 1.00 0.00 C ATOM 511 O THR A 33 144.840 2.233 -10.679 1.00 0.00 O ATOM 512 CB THR A 33 147.244 3.057 -11.816 1.00 0.00 C ATOM 513 OG1 THR A 33 148.259 3.780 -12.490 1.00 0.00 O ATOM 514 CG2 THR A 33 147.791 1.683 -11.498 1.00 0.00 C ATOM 0 H THR A 33 145.730 5.087 -12.918 1.00 0.00 H new ATOM 0 HA THR A 33 145.997 2.164 -13.326 1.00 0.00 H new ATOM 0 HB THR A 33 146.967 3.544 -10.881 1.00 0.00 H new ATOM 0 HG1 THR A 33 148.420 4.628 -12.025 1.00 0.00 H new ATOM 0 HG21 THR A 33 148.700 1.782 -10.904 1.00 0.00 H new ATOM 0 HG22 THR A 33 147.049 1.117 -10.935 1.00 0.00 H new ATOM 0 HG23 THR A 33 148.019 1.158 -12.426 1.00 0.00 H new ATOM 522 N PHE A 34 143.625 3.439 -12.139 1.00 0.00 N ATOM 523 CA PHE A 34 142.401 3.363 -11.350 1.00 0.00 C ATOM 524 C PHE A 34 141.407 2.384 -11.966 1.00 0.00 C ATOM 525 O PHE A 34 140.195 2.536 -11.808 1.00 0.00 O ATOM 526 CB PHE A 34 141.763 4.749 -11.230 1.00 0.00 C ATOM 527 CG PHE A 34 141.249 5.056 -9.853 1.00 0.00 C ATOM 528 CD1 PHE A 34 140.119 4.420 -9.363 1.00 0.00 C ATOM 529 CD2 PHE A 34 141.894 5.981 -9.048 1.00 0.00 C ATOM 530 CE1 PHE A 34 139.643 4.700 -8.098 1.00 0.00 C ATOM 531 CE2 PHE A 34 141.422 6.266 -7.781 1.00 0.00 C ATOM 532 CZ PHE A 34 140.295 5.625 -7.304 1.00 0.00 C ATOM 0 H PHE A 34 143.534 3.964 -13.009 1.00 0.00 H new ATOM 0 HA PHE A 34 142.664 3.001 -10.356 1.00 0.00 H new ATOM 0 HB2 PHE A 34 142.497 5.504 -11.511 1.00 0.00 H new ATOM 0 HB3 PHE A 34 140.940 4.824 -11.941 1.00 0.00 H new ATOM 0 HD1 PHE A 34 139.605 3.697 -9.978 1.00 0.00 H new ATOM 0 HD2 PHE A 34 142.776 6.485 -9.415 1.00 0.00 H new ATOM 0 HE1 PHE A 34 138.762 4.197 -7.729 1.00 0.00 H new ATOM 0 HE2 PHE A 34 141.934 6.990 -7.164 1.00 0.00 H new ATOM 0 HZ PHE A 34 139.924 5.846 -6.314 1.00 0.00 H new ATOM 542 N ASN A 35 141.920 1.378 -12.669 1.00 0.00 N ATOM 543 CA ASN A 35 141.065 0.381 -13.303 1.00 0.00 C ATOM 544 C ASN A 35 140.409 -0.514 -12.256 1.00 0.00 C ATOM 545 O ASN A 35 139.193 -0.473 -12.066 1.00 0.00 O ATOM 546 CB ASN A 35 141.872 -0.466 -14.287 1.00 0.00 C ATOM 547 CG ASN A 35 140.988 -1.235 -15.249 1.00 0.00 C ATOM 548 OD1 ASN A 35 140.651 -0.745 -16.328 1.00 0.00 O ATOM 549 ND2 ASN A 35 140.605 -2.446 -14.863 1.00 0.00 N ATOM 0 H ASN A 35 142.919 1.232 -12.813 1.00 0.00 H new ATOM 0 HA ASN A 35 140.281 0.905 -13.850 1.00 0.00 H new ATOM 0 HB2 ASN A 35 142.543 0.180 -14.852 1.00 0.00 H new ATOM 0 HB3 ASN A 35 142.496 -1.167 -13.732 1.00 0.00 H new ATOM 0 HD21 ASN A 35 140.008 -3.009 -15.469 1.00 0.00 H new ATOM 0 HD22 ASN A 35 140.908 -2.813 -13.961 1.00 0.00 H new ATOM 556 N LYS A 36 141.218 -1.321 -11.576 1.00 0.00 N ATOM 557 CA LYS A 36 140.706 -2.220 -10.547 1.00 0.00 C ATOM 558 C LYS A 36 141.695 -2.353 -9.394 1.00 0.00 C ATOM 559 O LYS A 36 142.415 -3.346 -9.289 1.00 0.00 O ATOM 560 CB LYS A 36 140.409 -3.598 -11.146 1.00 0.00 C ATOM 561 CG LYS A 36 139.037 -3.694 -11.791 1.00 0.00 C ATOM 562 CD LYS A 36 138.621 -5.141 -12.004 1.00 0.00 C ATOM 563 CE LYS A 36 137.597 -5.268 -13.121 1.00 0.00 C ATOM 564 NZ LYS A 36 136.522 -6.239 -12.781 1.00 0.00 N ATOM 0 H LYS A 36 142.227 -1.371 -11.718 1.00 0.00 H new ATOM 0 HA LYS A 36 139.782 -1.794 -10.157 1.00 0.00 H new ATOM 0 HB2 LYS A 36 141.169 -3.834 -11.891 1.00 0.00 H new ATOM 0 HB3 LYS A 36 140.487 -4.351 -10.362 1.00 0.00 H new ATOM 0 HG2 LYS A 36 138.302 -3.192 -11.162 1.00 0.00 H new ATOM 0 HG3 LYS A 36 139.046 -3.172 -12.748 1.00 0.00 H new ATOM 0 HD2 LYS A 36 139.499 -5.741 -12.244 1.00 0.00 H new ATOM 0 HD3 LYS A 36 138.204 -5.541 -11.080 1.00 0.00 H new ATOM 0 HE2 LYS A 36 137.155 -4.292 -13.321 1.00 0.00 H new ATOM 0 HE3 LYS A 36 138.096 -5.585 -14.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 135.845 -6.296 -13.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 136.941 -7.176 -12.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 136.028 -5.924 -11.922 1.00 0.00 H new ATOM 578 N VAL A 37 141.727 -1.345 -8.530 1.00 0.00 N ATOM 579 CA VAL A 37 142.628 -1.347 -7.384 1.00 0.00 C ATOM 580 C VAL A 37 142.012 -2.092 -6.205 1.00 0.00 C ATOM 581 O VAL A 37 141.162 -1.550 -5.501 1.00 0.00 O ATOM 582 CB VAL A 37 142.975 0.085 -6.935 1.00 0.00 C ATOM 583 CG1 VAL A 37 144.158 0.076 -5.978 1.00 0.00 C ATOM 584 CG2 VAL A 37 143.252 0.976 -8.139 1.00 0.00 C ATOM 0 H VAL A 37 141.139 -0.515 -8.602 1.00 0.00 H new ATOM 0 HA VAL A 37 143.539 -1.853 -7.703 1.00 0.00 H new ATOM 0 HB VAL A 37 142.116 0.495 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 37 144.387 1.097 -5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 37 143.910 -0.519 -5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 37 145.026 -0.357 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 37 143.495 1.983 -7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 37 144.091 0.572 -8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 37 142.368 1.012 -8.776 1.00 0.00 H new ATOM 594 N ILE A 38 142.444 -3.333 -5.994 1.00 0.00 N ATOM 595 CA ILE A 38 141.926 -4.143 -4.894 1.00 0.00 C ATOM 596 C ILE A 38 142.881 -5.304 -4.557 1.00 0.00 C ATOM 597 O ILE A 38 143.935 -5.090 -3.940 1.00 0.00 O ATOM 598 CB ILE A 38 140.514 -4.695 -5.221 1.00 0.00 C ATOM 599 CG1 ILE A 38 140.410 -5.063 -6.705 1.00 0.00 C ATOM 600 CG2 ILE A 38 139.437 -3.685 -4.848 1.00 0.00 C ATOM 601 CD1 ILE A 38 139.413 -6.168 -6.986 1.00 0.00 C ATOM 0 H ILE A 38 143.148 -3.798 -6.567 1.00 0.00 H new ATOM 0 HA ILE A 38 141.851 -3.493 -4.022 1.00 0.00 H new ATOM 0 HB ILE A 38 140.357 -5.596 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 38 140.127 -4.176 -7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 38 141.392 -5.371 -7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 38 138.456 -4.095 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 38 139.492 -3.472 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 38 139.592 -2.764 -5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 38 139.392 -6.376 -8.056 1.00 0.00 H new ATOM 0 HD12 ILE A 38 139.707 -7.069 -6.447 1.00 0.00 H new ATOM 0 HD13 ILE A 38 138.422 -5.856 -6.658 1.00 0.00 H new ATOM 613 N LYS A 39 142.519 -6.525 -4.967 1.00 0.00 N ATOM 614 CA LYS A 39 143.340 -7.704 -4.719 1.00 0.00 C ATOM 615 C LYS A 39 143.503 -7.975 -3.224 1.00 0.00 C ATOM 616 O LYS A 39 143.394 -7.065 -2.403 1.00 0.00 O ATOM 617 CB LYS A 39 144.707 -7.540 -5.380 1.00 0.00 C ATOM 618 CG LYS A 39 144.697 -7.802 -6.878 1.00 0.00 C ATOM 619 CD LYS A 39 144.393 -9.257 -7.194 1.00 0.00 C ATOM 620 CE LYS A 39 143.496 -9.381 -8.415 1.00 0.00 C ATOM 621 NZ LYS A 39 142.060 -9.196 -8.070 1.00 0.00 N ATOM 0 H LYS A 39 141.656 -6.718 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 39 142.830 -8.563 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 39 145.069 -6.528 -5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 39 145.414 -8.221 -4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 39 143.953 -7.163 -7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 39 145.665 -7.533 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 39 145.324 -9.796 -7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 39 143.910 -9.724 -6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 39 143.789 -8.639 -9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 39 143.637 -10.361 -8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 141.482 -9.288 -8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 141.773 -9.919 -7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 141.921 -8.251 -7.659 1.00 0.00 H new ATOM 635 N PRO A 40 143.763 -9.245 -2.857 1.00 0.00 N ATOM 636 CA PRO A 40 143.939 -9.651 -1.457 1.00 0.00 C ATOM 637 C PRO A 40 144.974 -8.802 -0.728 1.00 0.00 C ATOM 638 O PRO A 40 146.149 -9.156 -0.660 1.00 0.00 O ATOM 639 CB PRO A 40 144.418 -11.100 -1.564 1.00 0.00 C ATOM 640 CG PRO A 40 143.888 -11.580 -2.871 1.00 0.00 C ATOM 641 CD PRO A 40 143.904 -10.386 -3.783 1.00 0.00 C ATOM 0 HA PRO A 40 143.020 -9.531 -0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 40 145.506 -11.160 -1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 40 144.041 -11.703 -0.738 1.00 0.00 H new ATOM 0 HG2 PRO A 40 144.504 -12.385 -3.271 1.00 0.00 H new ATOM 0 HG3 PRO A 40 142.878 -11.975 -2.762 1.00 0.00 H new ATOM 0 HD2 PRO A 40 144.831 -10.328 -4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 40 143.088 -10.421 -4.505 1.00 0.00 H new ATOM 649 N CYS A 41 144.522 -7.676 -0.192 1.00 0.00 N ATOM 650 CA CYS A 41 145.401 -6.763 0.530 1.00 0.00 C ATOM 651 C CYS A 41 145.547 -7.167 1.996 1.00 0.00 C ATOM 652 O CYS A 41 145.132 -8.255 2.397 1.00 0.00 O ATOM 653 CB CYS A 41 144.857 -5.337 0.435 1.00 0.00 C ATOM 654 SG CYS A 41 143.370 -5.040 1.423 1.00 0.00 S ATOM 0 H CYS A 41 143.550 -7.372 -0.243 1.00 0.00 H new ATOM 0 HA CYS A 41 146.388 -6.811 0.070 1.00 0.00 H new ATOM 0 HB2 CYS A 41 145.635 -4.642 0.752 1.00 0.00 H new ATOM 0 HB3 CYS A 41 144.636 -5.114 -0.609 1.00 0.00 H new ATOM 0 HG CYS A 41 143.701 -4.472 2.545 1.00 0.00 H new ATOM 660 N MET A 42 146.141 -6.276 2.789 1.00 0.00 N ATOM 661 CA MET A 42 146.349 -6.521 4.215 1.00 0.00 C ATOM 662 C MET A 42 147.279 -5.467 4.816 1.00 0.00 C ATOM 663 O MET A 42 148.375 -5.229 4.308 1.00 0.00 O ATOM 664 CB MET A 42 146.931 -7.921 4.441 1.00 0.00 C ATOM 665 CG MET A 42 145.975 -8.868 5.150 1.00 0.00 C ATOM 666 SD MET A 42 145.952 -10.515 4.415 1.00 0.00 S ATOM 667 CE MET A 42 146.601 -11.498 5.765 1.00 0.00 C ATOM 0 H MET A 42 146.488 -5.373 2.465 1.00 0.00 H new ATOM 0 HA MET A 42 145.381 -6.457 4.713 1.00 0.00 H new ATOM 0 HB2 MET A 42 147.208 -8.350 3.478 1.00 0.00 H new ATOM 0 HB3 MET A 42 147.846 -7.835 5.027 1.00 0.00 H new ATOM 0 HG2 MET A 42 146.260 -8.947 6.199 1.00 0.00 H new ATOM 0 HG3 MET A 42 144.969 -8.449 5.124 1.00 0.00 H new ATOM 0 HE1 MET A 42 146.648 -12.544 5.463 1.00 0.00 H new ATOM 0 HE2 MET A 42 147.601 -11.149 6.021 1.00 0.00 H new ATOM 0 HE3 MET A 42 145.949 -11.399 6.633 1.00 0.00 H new ATOM 677 N LYS A 43 146.837 -4.842 5.903 1.00 0.00 N ATOM 678 CA LYS A 43 147.631 -3.819 6.577 1.00 0.00 C ATOM 679 C LYS A 43 148.292 -4.392 7.829 1.00 0.00 C ATOM 680 O LYS A 43 147.639 -5.052 8.636 1.00 0.00 O ATOM 681 CB LYS A 43 146.750 -2.624 6.954 1.00 0.00 C ATOM 682 CG LYS A 43 145.526 -3.004 7.769 1.00 0.00 C ATOM 683 CD LYS A 43 145.189 -1.936 8.796 1.00 0.00 C ATOM 684 CE LYS A 43 146.206 -1.907 9.926 1.00 0.00 C ATOM 685 NZ LYS A 43 145.566 -1.637 11.244 1.00 0.00 N ATOM 0 H LYS A 43 145.932 -5.026 6.337 1.00 0.00 H new ATOM 0 HA LYS A 43 148.409 -3.484 5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 43 147.346 -1.909 7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 43 146.427 -2.119 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 43 144.676 -3.152 7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 43 145.704 -3.953 8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 43 145.156 -0.961 8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 43 144.196 -2.123 9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 43 146.731 -2.861 9.966 1.00 0.00 H new ATOM 0 HE3 LYS A 43 146.954 -1.140 9.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 146.263 -1.775 12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 145.219 -0.657 11.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 144.769 -2.290 11.383 1.00 0.00 H new ATOM 699 N LYS A 44 149.590 -4.140 7.984 1.00 0.00 N ATOM 700 CA LYS A 44 150.325 -4.642 9.141 1.00 0.00 C ATOM 701 C LYS A 44 150.729 -3.506 10.075 1.00 0.00 C ATOM 702 O LYS A 44 151.687 -2.779 9.812 1.00 0.00 O ATOM 703 CB LYS A 44 151.567 -5.419 8.693 1.00 0.00 C ATOM 704 CG LYS A 44 152.492 -4.629 7.782 1.00 0.00 C ATOM 705 CD LYS A 44 153.568 -5.516 7.177 1.00 0.00 C ATOM 706 CE LYS A 44 154.851 -4.741 6.924 1.00 0.00 C ATOM 707 NZ LYS A 44 155.987 -5.643 6.593 1.00 0.00 N ATOM 0 H LYS A 44 150.150 -3.595 7.328 1.00 0.00 H new ATOM 0 HA LYS A 44 149.664 -5.314 9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 44 152.124 -5.734 9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 44 151.250 -6.325 8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 44 151.911 -4.165 6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 44 152.959 -3.822 8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 44 153.772 -6.351 7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 44 153.207 -5.940 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 44 154.695 -4.038 6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 44 155.100 -4.152 7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 156.843 -5.076 6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 156.152 -6.298 7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 155.760 -6.186 5.736 1.00 0.00 H new ATOM 721 N THR A 45 149.984 -3.358 11.168 1.00 0.00 N ATOM 722 CA THR A 45 150.249 -2.317 12.144 1.00 0.00 C ATOM 723 C THR A 45 151.514 -2.618 12.943 1.00 0.00 C ATOM 724 O THR A 45 151.945 -3.768 13.033 1.00 0.00 O ATOM 725 CB THR A 45 149.054 -2.168 13.090 1.00 0.00 C ATOM 726 OG1 THR A 45 147.883 -1.843 12.365 1.00 0.00 O ATOM 727 CG2 THR A 45 149.246 -1.104 14.149 1.00 0.00 C ATOM 0 H THR A 45 149.188 -3.953 11.396 1.00 0.00 H new ATOM 0 HA THR A 45 150.403 -1.381 11.607 1.00 0.00 H new ATOM 0 HB THR A 45 148.962 -3.134 13.587 1.00 0.00 H new ATOM 0 HG1 THR A 45 147.714 -0.880 12.431 1.00 0.00 H new ATOM 0 HG21 THR A 45 148.359 -1.056 14.781 1.00 0.00 H new ATOM 0 HG22 THR A 45 150.114 -1.351 14.760 1.00 0.00 H new ATOM 0 HG23 THR A 45 149.403 -0.138 13.670 1.00 0.00 H new ATOM 735 N ILE A 46 152.099 -1.577 13.532 1.00 0.00 N ATOM 736 CA ILE A 46 153.311 -1.731 14.334 1.00 0.00 C ATOM 737 C ILE A 46 153.306 -0.740 15.488 1.00 0.00 C ATOM 738 O ILE A 46 153.627 0.433 15.309 1.00 0.00 O ATOM 739 CB ILE A 46 154.594 -1.529 13.498 1.00 0.00 C ATOM 740 CG1 ILE A 46 154.375 -0.476 12.402 1.00 0.00 C ATOM 741 CG2 ILE A 46 155.052 -2.852 12.900 1.00 0.00 C ATOM 742 CD1 ILE A 46 153.559 -0.964 11.220 1.00 0.00 C ATOM 0 H ILE A 46 151.754 -0.619 13.469 1.00 0.00 H new ATOM 0 HA ILE A 46 153.313 -2.752 14.715 1.00 0.00 H new ATOM 0 HB ILE A 46 155.380 -1.162 14.158 1.00 0.00 H new ATOM 0 HG12 ILE A 46 153.877 0.389 12.840 1.00 0.00 H new ATOM 0 HG13 ILE A 46 155.346 -0.136 12.042 1.00 0.00 H new ATOM 0 HG21 ILE A 46 155.957 -2.692 12.314 1.00 0.00 H new ATOM 0 HG22 ILE A 46 155.259 -3.561 13.701 1.00 0.00 H new ATOM 0 HG23 ILE A 46 154.268 -3.251 12.256 1.00 0.00 H new ATOM 0 HD11 ILE A 46 153.453 -0.158 10.494 1.00 0.00 H new ATOM 0 HD12 ILE A 46 154.065 -1.809 10.753 1.00 0.00 H new ATOM 0 HD13 ILE A 46 152.573 -1.276 11.563 1.00 0.00 H new ATOM 754 N TYR A 47 152.911 -1.207 16.668 1.00 0.00 N ATOM 755 CA TYR A 47 152.837 -0.333 17.832 1.00 0.00 C ATOM 756 C TYR A 47 153.966 -0.569 18.824 1.00 0.00 C ATOM 757 O TYR A 47 154.616 -1.616 18.835 1.00 0.00 O ATOM 758 CB TYR A 47 151.485 -0.495 18.529 1.00 0.00 C ATOM 759 CG TYR A 47 151.287 -1.856 19.159 1.00 0.00 C ATOM 760 CD1 TYR A 47 150.948 -2.958 18.385 1.00 0.00 C ATOM 761 CD2 TYR A 47 151.436 -2.037 20.528 1.00 0.00 C ATOM 762 CE1 TYR A 47 150.765 -4.203 18.957 1.00 0.00 C ATOM 763 CE2 TYR A 47 151.256 -3.278 21.108 1.00 0.00 C ATOM 764 CZ TYR A 47 150.921 -4.357 20.318 1.00 0.00 C ATOM 765 OH TYR A 47 150.740 -5.595 20.892 1.00 0.00 O ATOM 0 H TYR A 47 152.640 -2.175 16.842 1.00 0.00 H new ATOM 0 HA TYR A 47 152.945 0.688 17.465 1.00 0.00 H new ATOM 0 HB2 TYR A 47 151.389 0.270 19.299 1.00 0.00 H new ATOM 0 HB3 TYR A 47 150.689 -0.320 17.805 1.00 0.00 H new ATOM 0 HD1 TYR A 47 150.825 -2.840 17.318 1.00 0.00 H new ATOM 0 HD2 TYR A 47 151.697 -1.193 21.150 1.00 0.00 H new ATOM 0 HE1 TYR A 47 150.501 -5.050 18.341 1.00 0.00 H new ATOM 0 HE2 TYR A 47 151.377 -3.402 22.174 1.00 0.00 H new ATOM 0 HH TYR A 47 150.888 -5.532 21.859 1.00 0.00 H new ATOM 775 N GLU A 48 154.190 0.452 19.640 1.00 0.00 N ATOM 776 CA GLU A 48 155.221 0.476 20.647 1.00 0.00 C ATOM 777 C GLU A 48 154.891 -0.397 21.864 1.00 0.00 C ATOM 778 O GLU A 48 154.563 -1.577 21.739 1.00 0.00 O ATOM 779 CB GLU A 48 155.307 1.916 21.080 1.00 0.00 C ATOM 780 CG GLU A 48 153.973 2.398 21.664 1.00 0.00 C ATOM 781 CD GLU A 48 153.135 3.211 20.693 1.00 0.00 C ATOM 782 OE1 GLU A 48 153.425 4.412 20.518 1.00 0.00 O ATOM 783 OE2 GLU A 48 152.188 2.643 20.110 1.00 0.00 O ATOM 0 H GLU A 48 153.637 1.309 19.612 1.00 0.00 H new ATOM 0 HA GLU A 48 156.152 0.081 20.239 1.00 0.00 H new ATOM 0 HB2 GLU A 48 156.095 2.029 21.824 1.00 0.00 H new ATOM 0 HB3 GLU A 48 155.581 2.539 20.229 1.00 0.00 H new ATOM 0 HG2 GLU A 48 153.396 1.532 21.990 1.00 0.00 H new ATOM 0 HG3 GLU A 48 154.172 3.001 22.550 1.00 0.00 H new ATOM 790 N ASN A 49 154.978 0.227 23.046 1.00 0.00 N ATOM 791 CA ASN A 49 154.689 -0.431 24.315 1.00 0.00 C ATOM 792 C ASN A 49 154.326 0.626 25.351 1.00 0.00 C ATOM 793 O ASN A 49 153.332 0.506 26.066 1.00 0.00 O ATOM 794 CB ASN A 49 155.897 -1.243 24.788 1.00 0.00 C ATOM 795 CG ASN A 49 155.494 -2.550 25.440 1.00 0.00 C ATOM 796 OD1 ASN A 49 155.932 -2.866 26.547 1.00 0.00 O ATOM 797 ND2 ASN A 49 154.657 -3.320 24.755 1.00 0.00 N ATOM 0 H ASN A 49 155.252 1.205 23.143 1.00 0.00 H new ATOM 0 HA ASN A 49 153.852 -1.117 24.182 1.00 0.00 H new ATOM 0 HB2 ASN A 49 156.548 -1.449 23.938 1.00 0.00 H new ATOM 0 HB3 ASN A 49 156.475 -0.650 25.496 1.00 0.00 H new ATOM 0 HD21 ASN A 49 154.352 -4.213 25.143 1.00 0.00 H new ATOM 0 HD22 ASN A 49 154.319 -3.019 23.841 1.00 0.00 H new ATOM 804 N GLU A 50 155.136 1.681 25.391 1.00 0.00 N ATOM 805 CA GLU A 50 154.917 2.801 26.297 1.00 0.00 C ATOM 806 C GLU A 50 154.803 4.086 25.483 1.00 0.00 C ATOM 807 O GLU A 50 155.353 5.127 25.846 1.00 0.00 O ATOM 808 CB GLU A 50 156.065 2.912 27.303 1.00 0.00 C ATOM 809 CG GLU A 50 155.883 4.035 28.313 1.00 0.00 C ATOM 810 CD GLU A 50 155.629 3.523 29.718 1.00 0.00 C ATOM 811 OE1 GLU A 50 154.984 2.462 29.856 1.00 0.00 O ATOM 812 OE2 GLU A 50 156.077 4.181 30.680 1.00 0.00 O ATOM 0 H GLU A 50 155.960 1.782 24.798 1.00 0.00 H new ATOM 0 HA GLU A 50 153.994 2.638 26.854 1.00 0.00 H new ATOM 0 HB2 GLU A 50 156.162 1.967 27.837 1.00 0.00 H new ATOM 0 HB3 GLU A 50 156.998 3.069 26.761 1.00 0.00 H new ATOM 0 HG2 GLU A 50 156.773 4.664 28.315 1.00 0.00 H new ATOM 0 HG3 GLU A 50 155.049 4.665 28.004 1.00 0.00 H new ATOM 819 N ARG A 51 154.091 3.986 24.365 1.00 0.00 N ATOM 820 CA ARG A 51 153.891 5.110 23.453 1.00 0.00 C ATOM 821 C ARG A 51 155.197 5.489 22.748 1.00 0.00 C ATOM 822 O ARG A 51 155.768 6.545 23.024 1.00 0.00 O ATOM 823 CB ARG A 51 153.329 6.321 24.206 1.00 0.00 C ATOM 824 CG ARG A 51 152.337 7.134 23.391 1.00 0.00 C ATOM 825 CD ARG A 51 152.128 8.519 23.980 1.00 0.00 C ATOM 826 NE ARG A 51 151.503 9.431 23.026 1.00 0.00 N ATOM 827 CZ ARG A 51 150.876 10.553 23.372 1.00 0.00 C ATOM 828 NH1 ARG A 51 150.794 10.910 24.647 1.00 0.00 N ATOM 829 NH2 ARG A 51 150.332 11.323 22.439 1.00 0.00 N ATOM 0 H ARG A 51 153.636 3.124 24.065 1.00 0.00 H new ATOM 0 HA ARG A 51 153.171 4.800 22.696 1.00 0.00 H new ATOM 0 HB2 ARG A 51 152.842 5.978 25.119 1.00 0.00 H new ATOM 0 HB3 ARG A 51 154.154 6.966 24.508 1.00 0.00 H new ATOM 0 HG2 ARG A 51 152.696 7.225 22.366 1.00 0.00 H new ATOM 0 HG3 ARG A 51 151.383 6.608 23.349 1.00 0.00 H new ATOM 0 HD2 ARG A 51 151.505 8.444 24.871 1.00 0.00 H new ATOM 0 HD3 ARG A 51 153.088 8.927 24.296 1.00 0.00 H new ATOM 0 HE ARG A 51 151.550 9.194 22.035 1.00 0.00 H new ATOM 0 HH11 ARG A 51 151.213 10.323 25.369 1.00 0.00 H new ATOM 0 HH12 ARG A 51 150.312 11.771 24.906 1.00 0.00 H new ATOM 0 HH21 ARG A 51 150.394 11.055 21.457 1.00 0.00 H new ATOM 0 HH22 ARG A 51 149.851 12.183 22.704 1.00 0.00 H new ATOM 843 N GLU A 52 155.680 4.627 21.842 1.00 0.00 N ATOM 844 CA GLU A 52 156.930 4.914 21.134 1.00 0.00 C ATOM 845 C GLU A 52 156.813 4.729 19.615 1.00 0.00 C ATOM 846 O GLU A 52 157.809 4.848 18.902 1.00 0.00 O ATOM 847 CB GLU A 52 158.057 4.033 21.674 1.00 0.00 C ATOM 848 CG GLU A 52 158.775 4.629 22.874 1.00 0.00 C ATOM 849 CD GLU A 52 158.282 4.060 24.190 1.00 0.00 C ATOM 850 OE1 GLU A 52 157.942 2.859 24.227 1.00 0.00 O ATOM 851 OE2 GLU A 52 158.235 4.817 25.182 1.00 0.00 O ATOM 0 H GLU A 52 155.234 3.745 21.588 1.00 0.00 H new ATOM 0 HA GLU A 52 157.157 5.965 21.314 1.00 0.00 H new ATOM 0 HB2 GLU A 52 157.646 3.062 21.952 1.00 0.00 H new ATOM 0 HB3 GLU A 52 158.781 3.856 20.879 1.00 0.00 H new ATOM 0 HG2 GLU A 52 159.845 4.445 22.781 1.00 0.00 H new ATOM 0 HG3 GLU A 52 158.637 5.710 22.875 1.00 0.00 H new ATOM 858 N ILE A 53 155.610 4.442 19.117 1.00 0.00 N ATOM 859 CA ILE A 53 155.415 4.251 17.680 1.00 0.00 C ATOM 860 C ILE A 53 153.919 4.060 17.330 1.00 0.00 C ATOM 861 O ILE A 53 153.112 4.937 17.636 1.00 0.00 O ATOM 862 CB ILE A 53 156.298 3.085 17.165 1.00 0.00 C ATOM 863 CG1 ILE A 53 156.338 3.070 15.632 1.00 0.00 C ATOM 864 CG2 ILE A 53 155.840 1.756 17.744 1.00 0.00 C ATOM 865 CD1 ILE A 53 156.905 1.795 15.041 1.00 0.00 C ATOM 0 H ILE A 53 154.765 4.338 19.679 1.00 0.00 H new ATOM 0 HA ILE A 53 155.735 5.156 17.164 1.00 0.00 H new ATOM 0 HB ILE A 53 157.319 3.245 17.512 1.00 0.00 H new ATOM 0 HG12 ILE A 53 155.327 3.216 15.251 1.00 0.00 H new ATOM 0 HG13 ILE A 53 156.934 3.915 15.286 1.00 0.00 H new ATOM 0 HG21 ILE A 53 156.477 0.956 17.366 1.00 0.00 H new ATOM 0 HG22 ILE A 53 155.907 1.790 18.831 1.00 0.00 H new ATOM 0 HG23 ILE A 53 154.807 1.568 17.450 1.00 0.00 H new ATOM 0 HD11 ILE A 53 156.899 1.864 13.953 1.00 0.00 H new ATOM 0 HD12 ILE A 53 157.928 1.656 15.390 1.00 0.00 H new ATOM 0 HD13 ILE A 53 156.296 0.947 15.354 1.00 0.00 H new ATOM 877 N LYS A 54 153.552 2.939 16.681 1.00 0.00 N ATOM 878 CA LYS A 54 152.166 2.655 16.284 1.00 0.00 C ATOM 879 C LYS A 54 151.927 3.050 14.838 1.00 0.00 C ATOM 880 O LYS A 54 151.204 4.004 14.546 1.00 0.00 O ATOM 881 CB LYS A 54 151.148 3.346 17.188 1.00 0.00 C ATOM 882 CG LYS A 54 149.859 2.563 17.362 1.00 0.00 C ATOM 883 CD LYS A 54 149.149 2.938 18.651 1.00 0.00 C ATOM 884 CE LYS A 54 148.731 4.399 18.653 1.00 0.00 C ATOM 885 NZ LYS A 54 148.099 4.796 19.941 1.00 0.00 N ATOM 0 H LYS A 54 154.211 2.206 16.418 1.00 0.00 H new ATOM 0 HA LYS A 54 152.025 1.580 16.391 1.00 0.00 H new ATOM 0 HB2 LYS A 54 151.598 3.512 18.167 1.00 0.00 H new ATOM 0 HB3 LYS A 54 150.914 4.327 16.774 1.00 0.00 H new ATOM 0 HG2 LYS A 54 149.200 2.752 16.514 1.00 0.00 H new ATOM 0 HG3 LYS A 54 150.078 1.495 17.364 1.00 0.00 H new ATOM 0 HD2 LYS A 54 148.270 2.307 18.780 1.00 0.00 H new ATOM 0 HD3 LYS A 54 149.806 2.746 19.499 1.00 0.00 H new ATOM 0 HE2 LYS A 54 149.603 5.026 18.469 1.00 0.00 H new ATOM 0 HE3 LYS A 54 148.032 4.577 17.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 147.829 5.799 19.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 147.252 4.216 20.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 148.774 4.651 20.718 1.00 0.00 H new ATOM 899 N GLY A 55 152.535 2.297 13.936 1.00 0.00 N ATOM 900 CA GLY A 55 152.378 2.557 12.520 1.00 0.00 C ATOM 901 C GLY A 55 151.537 1.499 11.848 1.00 0.00 C ATOM 902 O GLY A 55 151.082 0.558 12.497 1.00 0.00 O ATOM 0 H GLY A 55 153.138 1.506 14.160 1.00 0.00 H new ATOM 0 HA2 GLY A 55 151.915 3.534 12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 55 153.359 2.597 12.046 1.00 0.00 H new ATOM 906 N TYR A 56 151.328 1.642 10.547 1.00 0.00 N ATOM 907 CA TYR A 56 150.532 0.676 9.808 1.00 0.00 C ATOM 908 C TYR A 56 150.912 0.669 8.334 1.00 0.00 C ATOM 909 O TYR A 56 150.751 1.670 7.635 1.00 0.00 O ATOM 910 CB TYR A 56 149.043 0.987 9.962 1.00 0.00 C ATOM 911 CG TYR A 56 148.664 2.379 9.510 1.00 0.00 C ATOM 912 CD1 TYR A 56 148.868 3.479 10.336 1.00 0.00 C ATOM 913 CD2 TYR A 56 148.105 2.596 8.257 1.00 0.00 C ATOM 914 CE1 TYR A 56 148.523 4.752 9.925 1.00 0.00 C ATOM 915 CE2 TYR A 56 147.758 3.866 7.839 1.00 0.00 C ATOM 916 CZ TYR A 56 147.969 4.941 8.676 1.00 0.00 C ATOM 917 OH TYR A 56 147.625 6.209 8.265 1.00 0.00 O ATOM 0 H TYR A 56 151.695 2.411 9.986 1.00 0.00 H new ATOM 0 HA TYR A 56 150.734 -0.313 10.219 1.00 0.00 H new ATOM 0 HB2 TYR A 56 148.468 0.259 9.390 1.00 0.00 H new ATOM 0 HB3 TYR A 56 148.761 0.865 11.008 1.00 0.00 H new ATOM 0 HD1 TYR A 56 149.303 3.336 11.314 1.00 0.00 H new ATOM 0 HD2 TYR A 56 147.939 1.757 7.598 1.00 0.00 H new ATOM 0 HE1 TYR A 56 148.686 5.596 10.579 1.00 0.00 H new ATOM 0 HE2 TYR A 56 147.324 4.016 6.862 1.00 0.00 H new ATOM 0 HH TYR A 56 148.432 6.760 8.193 1.00 0.00 H new ATOM 927 N GLU A 57 151.411 -0.468 7.863 1.00 0.00 N ATOM 928 CA GLU A 57 151.806 -0.603 6.466 1.00 0.00 C ATOM 929 C GLU A 57 150.633 -1.091 5.622 1.00 0.00 C ATOM 930 O GLU A 57 150.267 -2.266 5.663 1.00 0.00 O ATOM 931 CB GLU A 57 152.990 -1.563 6.330 1.00 0.00 C ATOM 932 CG GLU A 57 154.342 -0.872 6.389 1.00 0.00 C ATOM 933 CD GLU A 57 155.448 -1.796 6.859 1.00 0.00 C ATOM 934 OE1 GLU A 57 155.578 -1.990 8.087 1.00 0.00 O ATOM 935 OE2 GLU A 57 156.185 -2.325 6.000 1.00 0.00 O ATOM 0 H GLU A 57 151.551 -1.307 8.426 1.00 0.00 H new ATOM 0 HA GLU A 57 152.112 0.378 6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 57 152.937 -2.308 7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 57 152.906 -2.099 5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 57 154.592 -0.485 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 57 154.279 -0.015 7.060 1.00 0.00 H new ATOM 942 N TYR A 58 150.048 -0.169 4.870 1.00 0.00 N ATOM 943 CA TYR A 58 148.908 -0.478 4.016 1.00 0.00 C ATOM 944 C TYR A 58 149.342 -1.237 2.761 1.00 0.00 C ATOM 945 O TYR A 58 149.514 -0.647 1.697 1.00 0.00 O ATOM 946 CB TYR A 58 148.198 0.821 3.618 1.00 0.00 C ATOM 947 CG TYR A 58 146.727 0.863 3.970 1.00 0.00 C ATOM 948 CD1 TYR A 58 146.274 0.437 5.211 1.00 0.00 C ATOM 949 CD2 TYR A 58 145.794 1.338 3.056 1.00 0.00 C ATOM 950 CE1 TYR A 58 144.929 0.483 5.533 1.00 0.00 C ATOM 951 CE2 TYR A 58 144.450 1.388 3.372 1.00 0.00 C ATOM 952 CZ TYR A 58 144.021 0.959 4.610 1.00 0.00 C ATOM 953 OH TYR A 58 142.682 1.008 4.927 1.00 0.00 O ATOM 0 H TYR A 58 150.346 0.806 4.834 1.00 0.00 H new ATOM 0 HA TYR A 58 148.225 -1.116 4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 58 148.699 1.658 4.104 1.00 0.00 H new ATOM 0 HB3 TYR A 58 148.306 0.965 2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 58 146.982 0.064 5.936 1.00 0.00 H new ATOM 0 HD2 TYR A 58 146.125 1.673 2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 58 144.592 0.148 6.503 1.00 0.00 H new ATOM 0 HE2 TYR A 58 143.738 1.762 2.651 1.00 0.00 H new ATOM 0 HH TYR A 58 142.307 0.103 4.904 1.00 0.00 H new ATOM 963 N GLN A 59 149.504 -2.551 2.885 1.00 0.00 N ATOM 964 CA GLN A 59 149.898 -3.371 1.746 1.00 0.00 C ATOM 965 C GLN A 59 148.690 -3.644 0.858 1.00 0.00 C ATOM 966 O GLN A 59 147.836 -4.465 1.193 1.00 0.00 O ATOM 967 CB GLN A 59 150.512 -4.691 2.218 1.00 0.00 C ATOM 968 CG GLN A 59 151.505 -4.530 3.358 1.00 0.00 C ATOM 969 CD GLN A 59 151.841 -5.849 4.028 1.00 0.00 C ATOM 970 OE1 GLN A 59 150.980 -6.487 4.635 1.00 0.00 O ATOM 971 NE2 GLN A 59 153.098 -6.263 3.925 1.00 0.00 N ATOM 0 H GLN A 59 149.370 -3.066 3.755 1.00 0.00 H new ATOM 0 HA GLN A 59 150.648 -2.828 1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 59 149.713 -5.360 2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 59 151.013 -5.170 1.377 1.00 0.00 H new ATOM 0 HG2 GLN A 59 152.420 -4.077 2.977 1.00 0.00 H new ATOM 0 HG3 GLN A 59 151.094 -3.844 4.099 1.00 0.00 H new ATOM 0 HE21 GLN A 59 153.779 -5.703 3.412 1.00 0.00 H new ATOM 0 HE22 GLN A 59 153.383 -7.141 4.358 1.00 0.00 H new ATOM 980 N LEU A 60 148.609 -2.938 -0.268 1.00 0.00 N ATOM 981 CA LEU A 60 147.492 -3.097 -1.181 1.00 0.00 C ATOM 982 C LEU A 60 147.961 -3.521 -2.570 1.00 0.00 C ATOM 983 O LEU A 60 149.053 -3.157 -3.002 1.00 0.00 O ATOM 984 CB LEU A 60 146.692 -1.796 -1.262 1.00 0.00 C ATOM 985 CG LEU A 60 145.318 -1.837 -0.594 1.00 0.00 C ATOM 986 CD1 LEU A 60 144.420 -2.841 -1.295 1.00 0.00 C ATOM 987 CD2 LEU A 60 145.453 -2.171 0.884 1.00 0.00 C ATOM 0 H LEU A 60 149.304 -2.253 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 60 146.850 -3.888 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 60 147.278 -0.999 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 60 146.561 -1.533 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 60 144.860 -0.851 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 60 143.445 -2.859 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 60 144.299 -2.554 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 60 144.871 -3.832 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 60 144.465 -2.196 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 60 145.929 -3.145 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 60 146.062 -1.412 1.374 1.00 0.00 H new ATOM 999 N TYR A 61 147.124 -4.286 -3.275 1.00 0.00 N ATOM 1000 CA TYR A 61 147.461 -4.746 -4.615 1.00 0.00 C ATOM 1001 C TYR A 61 146.562 -4.071 -5.646 1.00 0.00 C ATOM 1002 O TYR A 61 145.402 -4.444 -5.817 1.00 0.00 O ATOM 1003 CB TYR A 61 147.329 -6.266 -4.703 1.00 0.00 C ATOM 1004 CG TYR A 61 148.597 -7.007 -4.342 1.00 0.00 C ATOM 1005 CD1 TYR A 61 148.952 -7.207 -3.014 1.00 0.00 C ATOM 1006 CD2 TYR A 61 149.437 -7.506 -5.328 1.00 0.00 C ATOM 1007 CE1 TYR A 61 150.109 -7.885 -2.679 1.00 0.00 C ATOM 1008 CE2 TYR A 61 150.596 -8.186 -5.001 1.00 0.00 C ATOM 1009 CZ TYR A 61 150.927 -8.373 -3.676 1.00 0.00 C ATOM 1010 OH TYR A 61 152.079 -9.048 -3.346 1.00 0.00 O ATOM 0 H TYR A 61 146.213 -4.596 -2.938 1.00 0.00 H new ATOM 0 HA TYR A 61 148.496 -4.477 -4.828 1.00 0.00 H new ATOM 0 HB2 TYR A 61 146.527 -6.591 -4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 61 147.035 -6.539 -5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 61 148.314 -6.827 -2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 61 149.181 -7.361 -6.367 1.00 0.00 H new ATOM 0 HE1 TYR A 61 150.371 -8.032 -1.642 1.00 0.00 H new ATOM 0 HE2 TYR A 61 151.239 -8.569 -5.780 1.00 0.00 H new ATOM 0 HH TYR A 61 152.541 -9.327 -4.164 1.00 0.00 H new ATOM 1020 N VAL A 62 147.102 -3.060 -6.318 1.00 0.00 N ATOM 1021 CA VAL A 62 146.346 -2.320 -7.317 1.00 0.00 C ATOM 1022 C VAL A 62 146.331 -3.037 -8.661 1.00 0.00 C ATOM 1023 O VAL A 62 147.281 -2.945 -9.439 1.00 0.00 O ATOM 1024 CB VAL A 62 146.909 -0.895 -7.507 1.00 0.00 C ATOM 1025 CG1 VAL A 62 148.371 -0.944 -7.924 1.00 0.00 C ATOM 1026 CG2 VAL A 62 146.083 -0.119 -8.523 1.00 0.00 C ATOM 0 H VAL A 62 148.060 -2.736 -6.188 1.00 0.00 H new ATOM 0 HA VAL A 62 145.324 -2.254 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 62 146.846 -0.375 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 62 148.747 0.071 -8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 62 148.952 -1.452 -7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 62 148.463 -1.487 -8.865 1.00 0.00 H new ATOM 0 HG21 VAL A 62 146.498 0.882 -8.641 1.00 0.00 H new ATOM 0 HG22 VAL A 62 146.106 -0.637 -9.482 1.00 0.00 H new ATOM 0 HG23 VAL A 62 145.053 -0.046 -8.175 1.00 0.00 H new ATOM 1036 N TYR A 63 145.237 -3.740 -8.936 1.00 0.00 N ATOM 1037 CA TYR A 63 145.091 -4.457 -10.196 1.00 0.00 C ATOM 1038 C TYR A 63 144.538 -3.522 -11.266 1.00 0.00 C ATOM 1039 O TYR A 63 143.344 -3.537 -11.566 1.00 0.00 O ATOM 1040 CB TYR A 63 144.169 -5.667 -10.021 1.00 0.00 C ATOM 1041 CG TYR A 63 144.121 -6.573 -11.230 1.00 0.00 C ATOM 1042 CD1 TYR A 63 145.228 -7.324 -11.602 1.00 0.00 C ATOM 1043 CD2 TYR A 63 142.969 -6.675 -12.001 1.00 0.00 C ATOM 1044 CE1 TYR A 63 145.190 -8.152 -12.707 1.00 0.00 C ATOM 1045 CE2 TYR A 63 142.924 -7.502 -13.108 1.00 0.00 C ATOM 1046 CZ TYR A 63 144.036 -8.238 -13.456 1.00 0.00 C ATOM 1047 OH TYR A 63 143.995 -9.061 -14.557 1.00 0.00 O ATOM 0 H TYR A 63 144.441 -3.828 -8.304 1.00 0.00 H new ATOM 0 HA TYR A 63 146.072 -4.814 -10.510 1.00 0.00 H new ATOM 0 HB2 TYR A 63 144.501 -6.244 -9.158 1.00 0.00 H new ATOM 0 HB3 TYR A 63 143.161 -5.316 -9.801 1.00 0.00 H new ATOM 0 HD1 TYR A 63 146.134 -7.260 -11.018 1.00 0.00 H new ATOM 0 HD2 TYR A 63 142.096 -6.100 -11.731 1.00 0.00 H new ATOM 0 HE1 TYR A 63 146.060 -8.729 -12.983 1.00 0.00 H new ATOM 0 HE2 TYR A 63 142.022 -7.571 -13.697 1.00 0.00 H new ATOM 0 HH TYR A 63 143.109 -9.007 -14.973 1.00 0.00 H new ATOM 1057 N ALA A 64 145.413 -2.697 -11.830 1.00 0.00 N ATOM 1058 CA ALA A 64 145.012 -1.743 -12.853 1.00 0.00 C ATOM 1059 C ALA A 64 144.919 -2.403 -14.223 1.00 0.00 C ATOM 1060 O ALA A 64 145.232 -3.583 -14.379 1.00 0.00 O ATOM 1061 CB ALA A 64 145.982 -0.571 -12.892 1.00 0.00 C ATOM 0 H ALA A 64 146.405 -2.671 -11.595 1.00 0.00 H new ATOM 0 HA ALA A 64 144.020 -1.372 -12.595 1.00 0.00 H new ATOM 0 HB1 ALA A 64 145.669 0.134 -13.662 1.00 0.00 H new ATOM 0 HB2 ALA A 64 145.988 -0.072 -11.923 1.00 0.00 H new ATOM 0 HB3 ALA A 64 146.984 -0.935 -13.119 1.00 0.00 H new ATOM 1067 N SER A 65 144.483 -1.631 -15.214 1.00 0.00 N ATOM 1068 CA SER A 65 144.346 -2.137 -16.575 1.00 0.00 C ATOM 1069 C SER A 65 145.690 -2.602 -17.120 1.00 0.00 C ATOM 1070 O SER A 65 145.781 -3.644 -17.768 1.00 0.00 O ATOM 1071 CB SER A 65 143.758 -1.057 -17.485 1.00 0.00 C ATOM 1072 OG SER A 65 142.863 -1.618 -18.429 1.00 0.00 O ATOM 0 H SER A 65 144.219 -0.653 -15.100 1.00 0.00 H new ATOM 0 HA SER A 65 143.669 -2.991 -16.553 1.00 0.00 H new ATOM 0 HB2 SER A 65 143.237 -0.313 -16.882 1.00 0.00 H new ATOM 0 HB3 SER A 65 144.563 -0.538 -18.006 1.00 0.00 H new ATOM 0 HG SER A 65 141.943 -1.519 -18.106 1.00 0.00 H new ATOM 1078 N ASP A 66 146.734 -1.820 -16.858 1.00 0.00 N ATOM 1079 CA ASP A 66 148.073 -2.150 -17.326 1.00 0.00 C ATOM 1080 C ASP A 66 148.476 -3.549 -16.898 1.00 0.00 C ATOM 1081 O ASP A 66 148.996 -4.333 -17.690 1.00 0.00 O ATOM 1082 CB ASP A 66 149.087 -1.128 -16.805 1.00 0.00 C ATOM 1083 CG ASP A 66 148.898 0.242 -17.426 1.00 0.00 C ATOM 1084 OD1 ASP A 66 147.837 0.858 -17.193 1.00 0.00 O ATOM 1085 OD2 ASP A 66 149.812 0.700 -18.146 1.00 0.00 O ATOM 0 H ASP A 66 146.676 -0.953 -16.324 1.00 0.00 H new ATOM 0 HA ASP A 66 148.063 -2.118 -18.415 1.00 0.00 H new ATOM 0 HB2 ASP A 66 148.995 -1.049 -15.722 1.00 0.00 H new ATOM 0 HB3 ASP A 66 150.096 -1.483 -17.014 1.00 0.00 H new ATOM 1090 N LYS A 67 148.223 -3.847 -15.638 1.00 0.00 N ATOM 1091 CA LYS A 67 148.544 -5.151 -15.061 1.00 0.00 C ATOM 1092 C LYS A 67 148.320 -5.152 -13.551 1.00 0.00 C ATOM 1093 O LYS A 67 147.815 -4.180 -12.985 1.00 0.00 O ATOM 1094 CB LYS A 67 149.993 -5.533 -15.368 1.00 0.00 C ATOM 1095 CG LYS A 67 150.131 -6.466 -16.560 1.00 0.00 C ATOM 1096 CD LYS A 67 150.780 -7.786 -16.169 1.00 0.00 C ATOM 1097 CE LYS A 67 152.291 -7.657 -16.068 1.00 0.00 C ATOM 1098 NZ LYS A 67 152.750 -7.620 -14.652 1.00 0.00 N ATOM 0 H LYS A 67 147.790 -3.198 -14.981 1.00 0.00 H new ATOM 0 HA LYS A 67 147.878 -5.887 -15.512 1.00 0.00 H new ATOM 0 HB2 LYS A 67 150.568 -4.626 -15.557 1.00 0.00 H new ATOM 0 HB3 LYS A 67 150.429 -6.010 -14.490 1.00 0.00 H new ATOM 0 HG2 LYS A 67 149.147 -6.657 -16.989 1.00 0.00 H new ATOM 0 HG3 LYS A 67 150.727 -5.982 -17.334 1.00 0.00 H new ATOM 0 HD2 LYS A 67 150.378 -8.121 -15.213 1.00 0.00 H new ATOM 0 HD3 LYS A 67 150.528 -8.549 -16.906 1.00 0.00 H new ATOM 0 HE2 LYS A 67 152.762 -8.495 -16.581 1.00 0.00 H new ATOM 0 HE3 LYS A 67 152.613 -6.749 -16.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 153.403 -6.822 -14.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 151.929 -7.504 -14.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 153.238 -8.509 -14.422 1.00 0.00 H new ATOM 1112 N LEU A 68 148.706 -6.248 -12.906 1.00 0.00 N ATOM 1113 CA LEU A 68 148.556 -6.383 -11.461 1.00 0.00 C ATOM 1114 C LEU A 68 149.691 -5.670 -10.734 1.00 0.00 C ATOM 1115 O LEU A 68 150.861 -6.011 -10.905 1.00 0.00 O ATOM 1116 CB LEU A 68 148.532 -7.862 -11.068 1.00 0.00 C ATOM 1117 CG LEU A 68 148.020 -8.149 -9.656 1.00 0.00 C ATOM 1118 CD1 LEU A 68 147.200 -9.430 -9.633 1.00 0.00 C ATOM 1119 CD2 LEU A 68 149.183 -8.243 -8.679 1.00 0.00 C ATOM 0 H LEU A 68 149.126 -7.058 -13.362 1.00 0.00 H new ATOM 0 HA LEU A 68 147.612 -5.922 -11.169 1.00 0.00 H new ATOM 0 HB2 LEU A 68 147.908 -8.401 -11.781 1.00 0.00 H new ATOM 0 HB3 LEU A 68 149.541 -8.263 -11.160 1.00 0.00 H new ATOM 0 HG LEU A 68 147.376 -7.325 -9.350 1.00 0.00 H new ATOM 0 HD11 LEU A 68 146.845 -9.617 -8.619 1.00 0.00 H new ATOM 0 HD12 LEU A 68 146.347 -9.328 -10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 68 147.820 -10.265 -9.960 1.00 0.00 H new ATOM 0 HD21 LEU A 68 148.802 -8.448 -7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 68 149.851 -9.048 -8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 68 149.730 -7.300 -8.673 1.00 0.00 H new ATOM 1131 N PHE A 69 149.339 -4.674 -9.926 1.00 0.00 N ATOM 1132 CA PHE A 69 150.334 -3.912 -9.180 1.00 0.00 C ATOM 1133 C PHE A 69 150.092 -4.009 -7.676 1.00 0.00 C ATOM 1134 O PHE A 69 149.208 -4.736 -7.222 1.00 0.00 O ATOM 1135 CB PHE A 69 150.316 -2.446 -9.619 1.00 0.00 C ATOM 1136 CG PHE A 69 151.301 -2.133 -10.710 1.00 0.00 C ATOM 1137 CD1 PHE A 69 152.659 -2.305 -10.504 1.00 0.00 C ATOM 1138 CD2 PHE A 69 150.866 -1.666 -11.940 1.00 0.00 C ATOM 1139 CE1 PHE A 69 153.568 -2.017 -11.506 1.00 0.00 C ATOM 1140 CE2 PHE A 69 151.770 -1.377 -12.944 1.00 0.00 C ATOM 1141 CZ PHE A 69 153.123 -1.552 -12.727 1.00 0.00 C ATOM 0 H PHE A 69 148.376 -4.377 -9.772 1.00 0.00 H new ATOM 0 HA PHE A 69 151.313 -4.339 -9.395 1.00 0.00 H new ATOM 0 HB2 PHE A 69 149.313 -2.190 -9.962 1.00 0.00 H new ATOM 0 HB3 PHE A 69 150.529 -1.814 -8.757 1.00 0.00 H new ATOM 0 HD1 PHE A 69 153.013 -2.668 -9.550 1.00 0.00 H new ATOM 0 HD2 PHE A 69 149.810 -1.527 -12.116 1.00 0.00 H new ATOM 0 HE1 PHE A 69 154.625 -2.156 -11.333 1.00 0.00 H new ATOM 0 HE2 PHE A 69 151.419 -1.014 -13.899 1.00 0.00 H new ATOM 0 HZ PHE A 69 153.831 -1.326 -13.511 1.00 0.00 H new ATOM 1151 N ARG A 70 150.883 -3.265 -6.909 1.00 0.00 N ATOM 1152 CA ARG A 70 150.765 -3.255 -5.463 1.00 0.00 C ATOM 1153 C ARG A 70 151.503 -2.059 -4.879 1.00 0.00 C ATOM 1154 O ARG A 70 152.641 -1.787 -5.251 1.00 0.00 O ATOM 1155 CB ARG A 70 151.314 -4.560 -4.876 1.00 0.00 C ATOM 1156 CG ARG A 70 151.298 -4.609 -3.356 1.00 0.00 C ATOM 1157 CD ARG A 70 152.497 -5.366 -2.809 1.00 0.00 C ATOM 1158 NE ARG A 70 152.932 -4.844 -1.516 1.00 0.00 N ATOM 1159 CZ ARG A 70 154.136 -5.068 -0.992 1.00 0.00 C ATOM 1160 NH1 ARG A 70 155.024 -5.804 -1.647 1.00 0.00 N ATOM 1161 NH2 ARG A 70 154.450 -4.555 0.190 1.00 0.00 N ATOM 0 H ARG A 70 151.617 -2.658 -7.273 1.00 0.00 H new ATOM 0 HA ARG A 70 149.710 -3.172 -5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 70 150.729 -5.395 -5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 70 152.338 -4.700 -5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 70 151.295 -3.594 -2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 70 150.379 -5.087 -3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 70 152.243 -6.421 -2.707 1.00 0.00 H new ATOM 0 HD3 ARG A 70 153.320 -5.303 -3.521 1.00 0.00 H new ATOM 0 HE ARG A 70 152.275 -4.274 -0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 70 154.786 -6.201 -2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 70 155.945 -5.973 -1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 70 153.770 -3.989 0.697 1.00 0.00 H new ATOM 0 HH22 ARG A 70 155.372 -4.726 0.592 1.00 0.00 H new ATOM 1175 N ALA A 71 150.849 -1.349 -3.962 1.00 0.00 N ATOM 1176 CA ALA A 71 151.445 -0.178 -3.327 1.00 0.00 C ATOM 1177 C ALA A 71 151.610 -0.408 -1.831 1.00 0.00 C ATOM 1178 O ALA A 71 150.751 -1.027 -1.201 1.00 0.00 O ATOM 1179 CB ALA A 71 150.590 1.053 -3.584 1.00 0.00 C ATOM 0 H ALA A 71 149.905 -1.566 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 71 152.432 -0.013 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 71 151.046 1.919 -3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 71 150.518 1.228 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 71 149.592 0.895 -3.174 1.00 0.00 H new ATOM 1185 N ASP A 72 152.705 0.083 -1.252 1.00 0.00 N ATOM 1186 CA ASP A 72 152.927 -0.100 0.175 1.00 0.00 C ATOM 1187 C ASP A 72 152.988 1.245 0.888 1.00 0.00 C ATOM 1188 O ASP A 72 153.887 2.052 0.639 1.00 0.00 O ATOM 1189 CB ASP A 72 154.215 -0.885 0.424 1.00 0.00 C ATOM 1190 CG ASP A 72 154.275 -1.468 1.822 1.00 0.00 C ATOM 1191 OD1 ASP A 72 153.604 -0.922 2.723 1.00 0.00 O ATOM 1192 OD2 ASP A 72 154.993 -2.472 2.017 1.00 0.00 O ATOM 0 H ASP A 72 153.437 0.600 -1.740 1.00 0.00 H new ATOM 0 HA ASP A 72 152.088 -0.669 0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 72 154.293 -1.690 -0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 72 155.072 -0.230 0.269 1.00 0.00 H new ATOM 1197 N ILE A 73 152.023 1.475 1.773 1.00 0.00 N ATOM 1198 CA ILE A 73 151.954 2.716 2.530 1.00 0.00 C ATOM 1199 C ILE A 73 152.254 2.470 4.000 1.00 0.00 C ATOM 1200 O ILE A 73 151.399 2.003 4.751 1.00 0.00 O ATOM 1201 CB ILE A 73 150.570 3.374 2.410 1.00 0.00 C ATOM 1202 CG1 ILE A 73 150.164 3.473 0.941 1.00 0.00 C ATOM 1203 CG2 ILE A 73 150.572 4.747 3.069 1.00 0.00 C ATOM 1204 CD1 ILE A 73 149.454 2.242 0.435 1.00 0.00 C ATOM 0 H ILE A 73 151.276 0.813 1.983 1.00 0.00 H new ATOM 0 HA ILE A 73 152.703 3.386 2.109 1.00 0.00 H new ATOM 0 HB ILE A 73 149.838 2.755 2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 73 149.515 4.339 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 73 151.054 3.645 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 73 149.584 5.198 2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 73 150.824 4.644 4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 73 151.310 5.384 2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 73 149.193 2.378 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 73 150.109 1.377 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 73 148.546 2.081 1.016 1.00 0.00 H new ATOM 1216 N SER A 74 153.471 2.794 4.407 1.00 0.00 N ATOM 1217 CA SER A 74 153.881 2.610 5.789 1.00 0.00 C ATOM 1218 C SER A 74 153.812 3.927 6.545 1.00 0.00 C ATOM 1219 O SER A 74 154.449 4.906 6.158 1.00 0.00 O ATOM 1220 CB SER A 74 155.300 2.041 5.853 1.00 0.00 C ATOM 1221 OG SER A 74 156.267 3.061 5.674 1.00 0.00 O ATOM 0 H SER A 74 154.191 3.185 3.800 1.00 0.00 H new ATOM 0 HA SER A 74 153.198 1.902 6.258 1.00 0.00 H new ATOM 0 HB2 SER A 74 155.456 1.552 6.815 1.00 0.00 H new ATOM 0 HB3 SER A 74 155.424 1.279 5.084 1.00 0.00 H new ATOM 0 HG SER A 74 155.819 3.895 5.421 1.00 0.00 H new ATOM 1227 N GLU A 75 153.038 3.947 7.622 1.00 0.00 N ATOM 1228 CA GLU A 75 152.887 5.148 8.431 1.00 0.00 C ATOM 1229 C GLU A 75 153.286 4.859 9.872 1.00 0.00 C ATOM 1230 O GLU A 75 152.430 4.681 10.735 1.00 0.00 O ATOM 1231 CB GLU A 75 151.440 5.647 8.383 1.00 0.00 C ATOM 1232 CG GLU A 75 150.815 5.577 6.998 1.00 0.00 C ATOM 1233 CD GLU A 75 150.374 6.935 6.484 1.00 0.00 C ATOM 1234 OE1 GLU A 75 149.359 7.460 6.988 1.00 0.00 O ATOM 1235 OE2 GLU A 75 151.045 7.473 5.579 1.00 0.00 O ATOM 0 H GLU A 75 152.505 3.144 7.955 1.00 0.00 H new ATOM 0 HA GLU A 75 153.539 5.923 8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 75 150.838 5.056 9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 75 151.409 6.678 8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 75 151.534 5.145 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 75 149.956 4.907 7.025 1.00 0.00 H new ATOM 1242 N ASP A 76 154.590 4.791 10.126 1.00 0.00 N ATOM 1243 CA ASP A 76 155.088 4.498 11.451 1.00 0.00 C ATOM 1244 C ASP A 76 155.824 5.683 12.058 1.00 0.00 C ATOM 1245 O ASP A 76 156.002 6.720 11.417 1.00 0.00 O ATOM 1246 CB ASP A 76 156.013 3.279 11.422 1.00 0.00 C ATOM 1247 CG ASP A 76 155.472 2.149 10.562 1.00 0.00 C ATOM 1248 OD1 ASP A 76 154.320 2.256 10.092 1.00 0.00 O ATOM 1249 OD2 ASP A 76 156.204 1.158 10.357 1.00 0.00 O ATOM 0 H ASP A 76 155.316 4.936 9.425 1.00 0.00 H new ATOM 0 HA ASP A 76 154.222 4.282 12.076 1.00 0.00 H new ATOM 0 HB2 ASP A 76 156.991 3.580 11.046 1.00 0.00 H new ATOM 0 HB3 ASP A 76 156.161 2.916 12.439 1.00 0.00 H new ATOM 1342 N ARG A 82 156.323 7.659 7.661 1.00 0.00 N ATOM 1343 CA ARG A 82 155.122 7.773 6.842 1.00 0.00 C ATOM 1344 C ARG A 82 155.483 7.968 5.378 1.00 0.00 C ATOM 1345 O ARG A 82 156.174 8.925 5.025 1.00 0.00 O ATOM 1346 CB ARG A 82 154.255 8.937 7.331 1.00 0.00 C ATOM 1347 CG ARG A 82 152.968 8.492 8.004 1.00 0.00 C ATOM 1348 CD ARG A 82 151.949 9.621 8.067 1.00 0.00 C ATOM 1349 NE ARG A 82 152.531 10.859 8.585 1.00 0.00 N ATOM 1350 CZ ARG A 82 151.817 11.841 9.132 1.00 0.00 C ATOM 1351 NH1 ARG A 82 150.496 11.746 9.217 1.00 0.00 N ATOM 1352 NH2 ARG A 82 152.428 12.925 9.591 1.00 0.00 N ATOM 0 HA ARG A 82 154.556 6.846 6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 82 154.832 9.541 8.031 1.00 0.00 H new ATOM 0 HB3 ARG A 82 154.010 9.578 6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 82 152.544 7.649 7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 82 153.187 8.142 9.013 1.00 0.00 H new ATOM 0 HD2 ARG A 82 151.545 9.800 7.071 1.00 0.00 H new ATOM 0 HD3 ARG A 82 151.114 9.321 8.700 1.00 0.00 H new ATOM 0 HE ARG A 82 153.542 10.977 8.524 1.00 0.00 H new ATOM 0 HH11 ARG A 82 150.020 10.916 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 82 149.956 12.503 9.637 1.00 0.00 H new ATOM 0 HH21 ARG A 82 153.443 13.005 9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 82 151.883 13.678 10.010 1.00 0.00 H new ATOM 1366 N LYS A 83 155.018 7.061 4.522 1.00 0.00 N ATOM 1367 CA LYS A 83 155.312 7.165 3.102 1.00 0.00 C ATOM 1368 C LYS A 83 154.611 6.090 2.277 1.00 0.00 C ATOM 1369 O LYS A 83 154.302 5.001 2.765 1.00 0.00 O ATOM 1370 CB LYS A 83 156.821 7.094 2.866 1.00 0.00 C ATOM 1371 CG LYS A 83 157.479 5.871 3.485 1.00 0.00 C ATOM 1372 CD LYS A 83 158.655 5.388 2.651 1.00 0.00 C ATOM 1373 CE LYS A 83 159.862 5.067 3.519 1.00 0.00 C ATOM 1374 NZ LYS A 83 160.740 6.254 3.713 1.00 0.00 N ATOM 0 H LYS A 83 154.445 6.259 4.785 1.00 0.00 H new ATOM 0 HA LYS A 83 154.930 8.131 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 83 157.013 7.095 1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 83 157.286 7.992 3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 83 157.820 6.111 4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 83 156.745 5.070 3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 83 158.363 4.500 2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 83 158.923 6.153 1.922 1.00 0.00 H new ATOM 0 HE2 LYS A 83 159.524 4.703 4.489 1.00 0.00 H new ATOM 0 HE3 LYS A 83 160.436 4.263 3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 161.550 5.992 4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 161.083 6.586 2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 160.200 7.013 4.175 1.00 0.00 H new ATOM 1388 N LEU A 84 154.395 6.415 1.006 1.00 0.00 N ATOM 1389 CA LEU A 84 153.766 5.509 0.051 1.00 0.00 C ATOM 1390 C LEU A 84 154.639 5.447 -1.197 1.00 0.00 C ATOM 1391 O LEU A 84 155.163 6.473 -1.630 1.00 0.00 O ATOM 1392 CB LEU A 84 152.345 5.974 -0.312 1.00 0.00 C ATOM 1393 CG LEU A 84 151.961 7.394 0.125 1.00 0.00 C ATOM 1394 CD1 LEU A 84 151.921 7.499 1.644 1.00 0.00 C ATOM 1395 CD2 LEU A 84 152.921 8.422 -0.461 1.00 0.00 C ATOM 0 H LEU A 84 154.652 7.318 0.608 1.00 0.00 H new ATOM 0 HA LEU A 84 153.676 4.520 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 84 152.229 5.906 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 84 151.634 5.276 0.130 1.00 0.00 H new ATOM 0 HG LEU A 84 150.963 7.606 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 84 151.647 8.514 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 84 151.184 6.799 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 84 152.903 7.259 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 84 152.627 9.420 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 84 153.934 8.212 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 84 152.890 8.370 -1.549 1.00 0.00 H new ATOM 1407 N LEU A 85 154.841 4.256 -1.754 1.00 0.00 N ATOM 1408 CA LEU A 85 155.713 4.138 -2.915 1.00 0.00 C ATOM 1409 C LEU A 85 155.693 2.745 -3.540 1.00 0.00 C ATOM 1410 O LEU A 85 155.330 2.593 -4.704 1.00 0.00 O ATOM 1411 CB LEU A 85 157.139 4.464 -2.481 1.00 0.00 C ATOM 1412 CG LEU A 85 157.477 4.006 -1.060 1.00 0.00 C ATOM 1413 CD1 LEU A 85 158.815 3.283 -1.033 1.00 0.00 C ATOM 1414 CD2 LEU A 85 157.491 5.191 -0.104 1.00 0.00 C ATOM 0 H LEU A 85 154.425 3.382 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 85 155.349 4.833 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 85 157.836 3.997 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 85 157.292 5.541 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 85 156.705 3.310 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 85 159.037 2.966 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 85 158.770 2.409 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 85 159.599 3.955 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 85 157.733 4.845 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 85 158.240 5.912 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 85 156.510 5.665 -0.098 1.00 0.00 H new ATOM 1426 N ARG A 86 156.120 1.743 -2.762 1.00 0.00 N ATOM 1427 CA ARG A 86 156.205 0.351 -3.223 1.00 0.00 C ATOM 1428 C ARG A 86 155.144 0.013 -4.264 1.00 0.00 C ATOM 1429 O ARG A 86 154.096 -0.524 -3.929 1.00 0.00 O ATOM 1430 CB ARG A 86 156.082 -0.603 -2.035 1.00 0.00 C ATOM 1431 CG ARG A 86 156.895 -1.878 -2.194 1.00 0.00 C ATOM 1432 CD ARG A 86 157.507 -2.320 -0.873 1.00 0.00 C ATOM 1433 NE ARG A 86 158.967 -2.286 -0.908 1.00 0.00 N ATOM 1434 CZ ARG A 86 159.744 -2.932 -0.042 1.00 0.00 C ATOM 1435 NH1 ARG A 86 159.206 -3.663 0.927 1.00 0.00 N ATOM 1436 NH2 ARG A 86 161.064 -2.847 -0.145 1.00 0.00 N ATOM 0 H ARG A 86 156.416 1.874 -1.795 1.00 0.00 H new ATOM 0 HA ARG A 86 157.178 0.232 -3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 86 156.403 -0.087 -1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 86 155.033 -0.865 -1.897 1.00 0.00 H new ATOM 0 HG2 ARG A 86 156.257 -2.671 -2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 86 157.686 -1.717 -2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 86 157.148 -1.673 -0.073 1.00 0.00 H new ATOM 0 HD3 ARG A 86 157.173 -3.331 -0.639 1.00 0.00 H new ATOM 0 HE ARG A 86 159.417 -1.735 -1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 86 158.192 -3.732 1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 86 159.807 -4.156 1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 86 161.483 -2.287 -0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 86 161.660 -3.342 0.518 1.00 0.00 H new ATOM 1450 N PHE A 87 155.434 0.328 -5.525 1.00 0.00 N ATOM 1451 CA PHE A 87 154.508 0.057 -6.618 1.00 0.00 C ATOM 1452 C PHE A 87 154.972 -1.144 -7.436 1.00 0.00 C ATOM 1453 O PHE A 87 155.422 -1.001 -8.573 1.00 0.00 O ATOM 1454 CB PHE A 87 154.375 1.290 -7.515 1.00 0.00 C ATOM 1455 CG PHE A 87 152.953 1.632 -7.859 1.00 0.00 C ATOM 1456 CD1 PHE A 87 152.274 0.924 -8.837 1.00 0.00 C ATOM 1457 CD2 PHE A 87 152.297 2.661 -7.203 1.00 0.00 C ATOM 1458 CE1 PHE A 87 150.965 1.235 -9.154 1.00 0.00 C ATOM 1459 CE2 PHE A 87 150.988 2.977 -7.517 1.00 0.00 C ATOM 1460 CZ PHE A 87 150.322 2.264 -8.492 1.00 0.00 C ATOM 0 H PHE A 87 156.306 0.772 -5.813 1.00 0.00 H new ATOM 0 HA PHE A 87 153.532 -0.177 -6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 87 154.835 2.143 -7.016 1.00 0.00 H new ATOM 0 HB3 PHE A 87 154.932 1.121 -8.436 1.00 0.00 H new ATOM 0 HD1 PHE A 87 152.773 0.120 -9.358 1.00 0.00 H new ATOM 0 HD2 PHE A 87 152.813 3.222 -6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 87 150.446 0.675 -9.918 1.00 0.00 H new ATOM 0 HE2 PHE A 87 150.487 3.782 -6.999 1.00 0.00 H new ATOM 0 HZ PHE A 87 149.299 2.509 -8.738 1.00 0.00 H new ATOM 1470 N ASN A 88 154.861 -2.330 -6.850 1.00 0.00 N ATOM 1471 CA ASN A 88 155.273 -3.558 -7.524 1.00 0.00 C ATOM 1472 C ASN A 88 154.357 -4.719 -7.151 1.00 0.00 C ATOM 1473 O ASN A 88 154.362 -5.185 -6.013 1.00 0.00 O ATOM 1474 CB ASN A 88 156.721 -3.897 -7.164 1.00 0.00 C ATOM 1475 CG ASN A 88 157.705 -3.418 -8.214 1.00 0.00 C ATOM 1476 OD1 ASN A 88 157.533 -3.675 -9.406 1.00 0.00 O ATOM 1477 ND2 ASN A 88 158.744 -2.718 -7.775 1.00 0.00 N ATOM 0 H ASN A 88 154.490 -2.469 -5.910 1.00 0.00 H new ATOM 0 HA ASN A 88 155.200 -3.396 -8.599 1.00 0.00 H new ATOM 0 HB2 ASN A 88 156.969 -3.445 -6.204 1.00 0.00 H new ATOM 0 HB3 ASN A 88 156.819 -4.976 -7.043 1.00 0.00 H new ATOM 0 HD21 ASN A 88 159.440 -2.370 -8.435 1.00 0.00 H new ATOM 0 HD22 ASN A 88 158.847 -2.529 -6.778 1.00 0.00 H new