USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 488 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 6 THR OG1 : rot 180:sc= 0.0432 USER MOD Set 1.2: A 50 LYS NZ :NH3+ -150:sc= -6.71! (180deg=-7.12!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -160:sc= -4.1! (180deg=-5.62!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0905 K(o=-0.09,f=-1.3) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -160:sc=-0.00518 USER MOD Single : A 27 SER OG : rot -30:sc= 0.786 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 35 SER OG : rot 63:sc= 1.32 USER MOD Single : A 38 GLN : amide:sc= 0.907 K(o=0.91,f=-0.53) USER MOD Single : A 39 ASN : amide:sc= -5.89! C(o=-5.9!,f=-5.3!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= -0.438 (180deg=-0.766) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.77! C(o=-2.8!,f=-5.2!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -61:sc= 0.906 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -144:sc= -0.197 (180deg=-1.11) USER MOD Single : A 66 ASN : amide:sc= -0.0964 K(o=-0.096,f=-1.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0383 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 3 -10.658 0.199 11.764 1.00 0.00 N ATOM 13 CA GLY A 3 -10.849 -0.283 10.406 1.00 0.00 C ATOM 14 C GLY A 3 -9.553 -0.091 9.615 1.00 0.00 C ATOM 15 O GLY A 3 -8.734 0.747 10.019 1.00 0.00 O ATOM 0 HA2 GLY A 3 -11.129 -1.336 10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.665 0.258 9.927 1.00 0.00 H new ATOM 19 N LYS A 4 -9.395 -0.860 8.522 1.00 0.00 N ATOM 20 CA LYS A 4 -8.211 -0.775 7.685 1.00 0.00 C ATOM 21 C LYS A 4 -8.024 0.670 7.218 1.00 0.00 C ATOM 22 O LYS A 4 -8.991 1.442 7.287 1.00 0.00 O ATOM 23 CB LYS A 4 -8.290 -1.785 6.540 1.00 0.00 C ATOM 24 CG LYS A 4 -7.718 -3.140 6.962 1.00 0.00 C ATOM 25 CD LYS A 4 -8.696 -4.273 6.637 1.00 0.00 C ATOM 26 CE LYS A 4 -9.818 -4.342 7.674 1.00 0.00 C ATOM 27 NZ LYS A 4 -11.129 -4.426 7.007 1.00 0.00 N ATOM 0 H LYS A 4 -10.082 -1.546 8.207 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.322 -1.044 8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.327 -1.906 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.740 -1.407 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.771 -3.314 6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.507 -3.133 8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.121 -4.118 5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.162 -5.223 6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.674 -5.210 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.785 -3.461 8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.881 -4.472 7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.270 -3.585 6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.163 -5.280 6.414 1.00 0.00 H new ATOM 41 N MET A 5 -6.804 1.002 6.760 1.00 0.00 N ATOM 42 CA MET A 5 -6.496 2.341 6.288 1.00 0.00 C ATOM 43 C MET A 5 -6.128 2.282 4.803 1.00 0.00 C ATOM 44 O MET A 5 -5.707 1.211 4.343 1.00 0.00 O ATOM 45 CB MET A 5 -5.327 2.929 7.080 1.00 0.00 C ATOM 46 CG MET A 5 -4.533 1.829 7.786 1.00 0.00 C ATOM 47 SD MET A 5 -5.333 1.395 9.358 1.00 0.00 S ATOM 48 CE MET A 5 -4.953 -0.380 9.427 1.00 0.00 C ATOM 0 H MET A 5 -6.021 0.351 6.711 1.00 0.00 H new ATOM 0 HA MET A 5 -7.371 2.976 6.428 1.00 0.00 H new ATOM 0 HB2 MET A 5 -4.670 3.482 6.409 1.00 0.00 H new ATOM 0 HB3 MET A 5 -5.703 3.640 7.816 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.468 0.949 7.147 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.513 2.166 7.969 1.00 0.00 H new ATOM 0 HE1 MET A 5 -5.643 -0.873 10.111 1.00 0.00 H new ATOM 0 HE2 MET A 5 -5.057 -0.813 8.432 1.00 0.00 H new ATOM 0 HE3 MET A 5 -3.931 -0.520 9.779 1.00 0.00 H new ATOM 58 N THR A 6 -6.294 3.415 4.096 1.00 0.00 N ATOM 59 CA THR A 6 -5.981 3.489 2.680 1.00 0.00 C ATOM 60 C THR A 6 -4.465 3.586 2.500 1.00 0.00 C ATOM 61 O THR A 6 -3.805 4.174 3.370 1.00 0.00 O ATOM 62 CB THR A 6 -6.742 4.671 2.073 1.00 0.00 C ATOM 63 OG1 THR A 6 -6.106 5.817 2.634 1.00 0.00 O ATOM 64 CG2 THR A 6 -8.183 4.760 2.579 1.00 0.00 C ATOM 0 H THR A 6 -6.644 4.286 4.494 1.00 0.00 H new ATOM 0 HA THR A 6 -6.300 2.590 2.152 1.00 0.00 H new ATOM 0 HB THR A 6 -6.743 4.584 0.987 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.535 6.629 2.293 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.678 5.615 2.118 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.717 3.847 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.181 4.882 3.662 1.00 0.00 H new ATOM 72 N GLY A 7 -3.951 3.019 1.395 1.00 0.00 N ATOM 73 CA GLY A 7 -2.528 3.043 1.107 1.00 0.00 C ATOM 74 C GLY A 7 -2.304 2.710 -0.369 1.00 0.00 C ATOM 75 O GLY A 7 -2.466 1.539 -0.741 1.00 0.00 O ATOM 0 H GLY A 7 -4.512 2.539 0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.116 4.026 1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.006 2.323 1.737 1.00 0.00 H new ATOM 79 N ILE A 8 -1.943 3.730 -1.169 1.00 0.00 N ATOM 80 CA ILE A 8 -1.700 3.547 -2.588 1.00 0.00 C ATOM 81 C ILE A 8 -0.261 3.075 -2.799 1.00 0.00 C ATOM 82 O ILE A 8 0.660 3.753 -2.319 1.00 0.00 O ATOM 83 CB ILE A 8 -2.049 4.822 -3.361 1.00 0.00 C ATOM 84 CG1 ILE A 8 -0.792 5.640 -3.663 1.00 0.00 C ATOM 85 CG2 ILE A 8 -3.103 5.643 -2.617 1.00 0.00 C ATOM 86 CD1 ILE A 8 -1.128 6.863 -4.519 1.00 0.00 C ATOM 0 H ILE A 8 -1.816 4.688 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.352 2.771 -2.988 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.483 4.534 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.329 5.961 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.064 5.017 -4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.333 6.543 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.009 5.049 -2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.720 5.923 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.218 7.428 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.568 6.538 -5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.838 7.496 -3.986 1.00 0.00 H new ATOM 98 N VAL A 9 -0.095 1.940 -3.501 1.00 0.00 N ATOM 99 CA VAL A 9 1.220 1.384 -3.771 1.00 0.00 C ATOM 100 C VAL A 9 2.001 2.347 -4.669 1.00 0.00 C ATOM 101 O VAL A 9 1.382 2.972 -5.543 1.00 0.00 O ATOM 102 CB VAL A 9 1.085 -0.017 -4.372 1.00 0.00 C ATOM 103 CG1 VAL A 9 0.756 0.057 -5.864 1.00 0.00 C ATOM 104 CG2 VAL A 9 2.350 -0.842 -4.128 1.00 0.00 C ATOM 0 H VAL A 9 -0.866 1.396 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 9 1.784 1.272 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 9 0.257 -0.519 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.665 -0.952 -6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.185 0.589 -6.003 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.553 0.586 -6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.228 -1.833 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.203 -0.345 -4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.521 -0.937 -3.056 1.00 0.00 H new ATOM 114 N LYS A 10 3.322 2.447 -4.439 1.00 0.00 N ATOM 115 CA LYS A 10 4.176 3.325 -5.223 1.00 0.00 C ATOM 116 C LYS A 10 5.351 2.521 -5.783 1.00 0.00 C ATOM 117 O LYS A 10 5.426 2.363 -7.010 1.00 0.00 O ATOM 118 CB LYS A 10 4.599 4.538 -4.393 1.00 0.00 C ATOM 119 CG LYS A 10 3.423 5.488 -4.170 1.00 0.00 C ATOM 120 CD LYS A 10 2.986 6.140 -5.485 1.00 0.00 C ATOM 121 CE LYS A 10 2.881 7.659 -5.334 1.00 0.00 C ATOM 122 NZ LYS A 10 2.459 8.273 -6.603 1.00 0.00 N ATOM 0 H LYS A 10 3.812 1.925 -3.713 1.00 0.00 H new ATOM 0 HA LYS A 10 3.630 3.726 -6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.990 4.206 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.406 5.066 -4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.586 4.941 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.705 6.260 -3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.701 5.897 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.023 5.734 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.166 7.904 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.844 8.068 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.392 9.304 -6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.156 8.054 -7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.530 7.896 -6.879 1.00 0.00 H new ATOM 136 N TRP A 11 6.230 2.035 -4.887 1.00 0.00 N ATOM 137 CA TRP A 11 7.388 1.257 -5.290 1.00 0.00 C ATOM 138 C TRP A 11 7.405 -0.062 -4.513 1.00 0.00 C ATOM 139 O TRP A 11 8.258 -0.212 -3.625 1.00 0.00 O ATOM 140 CB TRP A 11 8.667 2.075 -5.107 1.00 0.00 C ATOM 141 CG TRP A 11 8.431 3.481 -4.552 1.00 0.00 C ATOM 142 CD1 TRP A 11 8.790 3.967 -3.355 1.00 0.00 C ATOM 143 CD2 TRP A 11 7.767 4.571 -5.224 1.00 0.00 C ATOM 144 NE1 TRP A 11 8.407 5.283 -3.209 1.00 0.00 N ATOM 145 CE2 TRP A 11 7.764 5.663 -4.381 1.00 0.00 C ATOM 146 CE3 TRP A 11 7.187 4.632 -6.504 1.00 0.00 C ATOM 147 CZ2 TRP A 11 7.196 6.896 -4.724 1.00 0.00 C ATOM 148 CZ3 TRP A 11 6.622 5.870 -6.831 1.00 0.00 C ATOM 149 CH2 TRP A 11 6.611 6.980 -5.994 1.00 0.00 C ATOM 0 H TRP A 11 6.149 2.175 -3.880 1.00 0.00 H new ATOM 0 HA TRP A 11 7.329 1.012 -6.350 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.337 1.538 -4.435 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.176 2.155 -6.068 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.313 3.399 -2.600 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.566 5.870 -2.391 1.00 0.00 H new ATOM 0 HE3 TRP A 11 7.178 3.790 -7.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.208 7.737 -4.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.162 5.970 -7.803 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.154 7.902 -6.321 1.00 0.00 H new ATOM 160 N PHE A 12 6.480 -0.976 -4.856 1.00 0.00 N ATOM 161 CA PHE A 12 6.391 -2.266 -4.196 1.00 0.00 C ATOM 162 C PHE A 12 6.978 -3.343 -5.109 1.00 0.00 C ATOM 163 O PHE A 12 6.299 -4.355 -5.343 1.00 0.00 O ATOM 164 CB PHE A 12 4.915 -2.569 -3.871 1.00 0.00 C ATOM 165 CG PHE A 12 4.151 -3.269 -4.987 1.00 0.00 C ATOM 166 CD1 PHE A 12 3.943 -2.613 -6.223 1.00 0.00 C ATOM 167 CD2 PHE A 12 3.650 -4.579 -4.799 1.00 0.00 C ATOM 168 CE1 PHE A 12 3.237 -3.260 -7.260 1.00 0.00 C ATOM 169 CE2 PHE A 12 2.946 -5.225 -5.837 1.00 0.00 C ATOM 170 CZ PHE A 12 2.739 -4.566 -7.068 1.00 0.00 C ATOM 0 H PHE A 12 5.787 -0.833 -5.590 1.00 0.00 H new ATOM 0 HA PHE A 12 6.958 -2.252 -3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.874 -3.189 -2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.409 -1.633 -3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.325 -1.614 -6.374 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.807 -5.086 -3.858 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.078 -2.755 -8.201 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.565 -6.225 -5.690 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.200 -5.061 -7.862 1.00 0.00 H new ATOM 180 N ASN A 13 8.209 -3.112 -5.601 1.00 0.00 N ATOM 181 CA ASN A 13 8.878 -4.054 -6.480 1.00 0.00 C ATOM 182 C ASN A 13 8.561 -5.481 -6.026 1.00 0.00 C ATOM 183 O ASN A 13 9.221 -5.965 -5.094 1.00 0.00 O ATOM 184 CB ASN A 13 10.396 -3.870 -6.433 1.00 0.00 C ATOM 185 CG ASN A 13 11.010 -4.013 -7.827 1.00 0.00 C ATOM 186 OD1 ASN A 13 10.408 -4.544 -8.747 1.00 0.00 O ATOM 187 ND2 ASN A 13 12.237 -3.512 -7.932 1.00 0.00 N ATOM 0 H ASN A 13 8.752 -2.273 -5.396 1.00 0.00 H new ATOM 0 HA ASN A 13 8.525 -3.876 -7.496 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.634 -2.887 -6.026 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.835 -4.608 -5.761 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.732 -3.559 -8.822 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.683 -3.081 -7.122 1.00 0.00 H new ATOM 194 N ALA A 14 7.571 -6.116 -6.681 1.00 0.00 N ATOM 195 CA ALA A 14 7.173 -7.472 -6.348 1.00 0.00 C ATOM 196 C ALA A 14 8.230 -8.452 -6.864 1.00 0.00 C ATOM 197 O ALA A 14 7.895 -9.283 -7.721 1.00 0.00 O ATOM 198 CB ALA A 14 5.874 -7.822 -7.074 1.00 0.00 C ATOM 0 H ALA A 14 7.038 -5.699 -7.444 1.00 0.00 H new ATOM 0 HA ALA A 14 7.054 -7.539 -5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.579 -8.840 -6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.089 -7.130 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.027 -7.745 -8.151 1.00 0.00 H new ATOM 204 N ASP A 15 9.463 -8.336 -6.342 1.00 0.00 N ATOM 205 CA ASP A 15 10.556 -9.205 -6.747 1.00 0.00 C ATOM 206 C ASP A 15 11.641 -9.191 -5.668 1.00 0.00 C ATOM 207 O ASP A 15 11.783 -10.199 -4.961 1.00 0.00 O ATOM 208 CB ASP A 15 11.186 -8.724 -8.057 1.00 0.00 C ATOM 209 CG ASP A 15 12.059 -9.756 -8.771 1.00 0.00 C ATOM 210 OD1 ASP A 15 13.205 -9.975 -8.221 1.00 0.00 O ATOM 211 OD2 ASP A 15 11.665 -10.323 -9.801 1.00 0.00 O ATOM 0 H ASP A 15 9.717 -7.644 -5.637 1.00 0.00 H new ATOM 0 HA ASP A 15 10.154 -10.209 -6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.389 -8.414 -8.733 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.790 -7.841 -7.849 1.00 0.00 H new ATOM 216 N LYS A 16 12.373 -8.067 -5.565 1.00 0.00 N ATOM 217 CA LYS A 16 13.432 -7.927 -4.581 1.00 0.00 C ATOM 218 C LYS A 16 13.258 -6.603 -3.834 1.00 0.00 C ATOM 219 O LYS A 16 13.455 -6.587 -2.610 1.00 0.00 O ATOM 220 CB LYS A 16 14.803 -8.082 -5.245 1.00 0.00 C ATOM 221 CG LYS A 16 14.910 -7.203 -6.492 1.00 0.00 C ATOM 222 CD LYS A 16 16.373 -6.989 -6.887 1.00 0.00 C ATOM 223 CE LYS A 16 16.937 -5.724 -6.237 1.00 0.00 C ATOM 224 NZ LYS A 16 18.406 -5.790 -6.173 1.00 0.00 N ATOM 0 H LYS A 16 12.241 -7.248 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 16 13.369 -8.723 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.587 -7.812 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.964 -9.125 -5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.371 -7.669 -7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.435 -6.240 -6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.965 -7.853 -6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.453 -6.912 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.631 -4.847 -6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.528 -5.610 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.773 -4.924 -5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.692 -6.616 -5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.792 -5.877 -7.135 1.00 0.00 H new ATOM 238 N GLY A 17 12.898 -5.538 -4.572 1.00 0.00 N ATOM 239 CA GLY A 17 12.699 -4.225 -3.983 1.00 0.00 C ATOM 240 C GLY A 17 11.731 -4.340 -2.804 1.00 0.00 C ATOM 241 O GLY A 17 11.668 -3.401 -1.998 1.00 0.00 O ATOM 0 H GLY A 17 12.741 -5.573 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.652 -3.816 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.302 -3.536 -4.728 1.00 0.00 H new ATOM 245 N PHE A 18 11.008 -5.472 -2.728 1.00 0.00 N ATOM 246 CA PHE A 18 10.053 -5.706 -1.656 1.00 0.00 C ATOM 247 C PHE A 18 8.765 -4.935 -1.950 1.00 0.00 C ATOM 248 O PHE A 18 8.538 -4.586 -3.118 1.00 0.00 O ATOM 249 CB PHE A 18 10.671 -5.251 -0.320 1.00 0.00 C ATOM 250 CG PHE A 18 12.141 -5.607 -0.144 1.00 0.00 C ATOM 251 CD1 PHE A 18 12.541 -6.962 -0.108 1.00 0.00 C ATOM 252 CD2 PHE A 18 13.113 -4.587 -0.025 1.00 0.00 C ATOM 253 CE1 PHE A 18 13.904 -7.293 0.049 1.00 0.00 C ATOM 254 CE2 PHE A 18 14.475 -4.919 0.131 1.00 0.00 C ATOM 255 CZ PHE A 18 14.872 -6.273 0.170 1.00 0.00 C ATOM 0 H PHE A 18 11.075 -6.234 -3.403 1.00 0.00 H new ATOM 0 HA PHE A 18 9.815 -6.767 -1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.560 -4.170 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 18 10.103 -5.696 0.497 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.803 -7.745 -0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.812 -3.550 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 18 14.207 -8.329 0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 18 15.214 -4.137 0.221 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.914 -6.528 0.292 1.00 0.00 H new ATOM 265 N GLY A 19 7.958 -4.687 -0.902 1.00 0.00 N ATOM 266 CA GLY A 19 6.706 -3.965 -1.048 1.00 0.00 C ATOM 267 C GLY A 19 6.845 -2.581 -0.412 1.00 0.00 C ATOM 268 O GLY A 19 7.498 -2.475 0.637 1.00 0.00 O ATOM 0 H GLY A 19 8.162 -4.982 0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.449 -3.869 -2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.896 -4.518 -0.571 1.00 0.00 H new ATOM 272 N PHE A 20 6.238 -1.562 -1.047 1.00 0.00 N ATOM 273 CA PHE A 20 6.294 -0.200 -0.547 1.00 0.00 C ATOM 274 C PHE A 20 5.018 0.540 -0.952 1.00 0.00 C ATOM 275 O PHE A 20 4.819 0.757 -2.157 1.00 0.00 O ATOM 276 CB PHE A 20 7.540 0.501 -1.121 1.00 0.00 C ATOM 277 CG PHE A 20 8.192 1.510 -0.183 1.00 0.00 C ATOM 278 CD1 PHE A 20 7.393 2.280 0.694 1.00 0.00 C ATOM 279 CD2 PHE A 20 9.596 1.677 -0.178 1.00 0.00 C ATOM 280 CE1 PHE A 20 7.992 3.211 1.568 1.00 0.00 C ATOM 281 CE2 PHE A 20 10.195 2.609 0.696 1.00 0.00 C ATOM 282 CZ PHE A 20 9.394 3.376 1.569 1.00 0.00 C ATOM 0 H PHE A 20 5.704 -1.669 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 20 6.365 -0.201 0.541 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.277 -0.257 -1.386 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.261 1.010 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.320 2.155 0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.211 1.090 -0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.378 3.797 2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.268 2.736 0.697 1.00 0.00 H new ATOM 0 HZ PHE A 20 9.854 4.089 2.238 1.00 0.00 H new ATOM 292 N ILE A 21 4.193 0.910 0.044 1.00 0.00 N ATOM 293 CA ILE A 21 2.950 1.620 -0.209 1.00 0.00 C ATOM 294 C ILE A 21 3.044 3.029 0.380 1.00 0.00 C ATOM 295 O ILE A 21 3.949 3.270 1.191 1.00 0.00 O ATOM 296 CB ILE A 21 1.758 0.813 0.312 1.00 0.00 C ATOM 297 CG1 ILE A 21 1.554 -0.458 -0.516 1.00 0.00 C ATOM 298 CG2 ILE A 21 0.493 1.673 0.361 1.00 0.00 C ATOM 299 CD1 ILE A 21 0.703 -1.476 0.245 1.00 0.00 C ATOM 0 H ILE A 21 4.375 0.723 1.030 1.00 0.00 H new ATOM 0 HA ILE A 21 2.786 1.733 -1.281 1.00 0.00 H new ATOM 0 HB ILE A 21 1.976 0.502 1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.070 -0.208 -1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.521 -0.897 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.339 1.076 0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.656 2.523 1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.259 2.034 -0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.573 -2.370 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.201 -1.742 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.272 -1.042 0.466 1.00 0.00 H new ATOM 311 N THR A 22 2.120 3.915 -0.031 1.00 0.00 N ATOM 312 CA THR A 22 2.099 5.285 0.453 1.00 0.00 C ATOM 313 C THR A 22 0.892 5.478 1.372 1.00 0.00 C ATOM 314 O THR A 22 -0.242 5.343 0.893 1.00 0.00 O ATOM 315 CB THR A 22 2.100 6.230 -0.752 1.00 0.00 C ATOM 316 OG1 THR A 22 3.475 6.563 -0.929 1.00 0.00 O ATOM 317 CG2 THR A 22 1.428 7.569 -0.447 1.00 0.00 C ATOM 0 H THR A 22 1.381 3.695 -0.699 1.00 0.00 H new ATOM 0 HA THR A 22 2.984 5.513 1.047 1.00 0.00 H new ATOM 0 HB THR A 22 1.591 5.752 -1.589 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.547 7.387 -1.454 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.456 8.201 -1.335 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.392 7.398 -0.156 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.957 8.064 0.368 1.00 0.00 H new ATOM 325 N PRO A 23 1.156 5.783 2.655 1.00 0.00 N ATOM 326 CA PRO A 23 0.126 5.999 3.658 1.00 0.00 C ATOM 327 C PRO A 23 -0.550 7.357 3.466 1.00 0.00 C ATOM 328 O PRO A 23 -0.466 7.909 2.358 1.00 0.00 O ATOM 329 CB PRO A 23 0.841 5.874 4.992 1.00 0.00 C ATOM 330 CG PRO A 23 2.321 6.056 4.691 1.00 0.00 C ATOM 331 CD PRO A 23 2.507 5.934 3.186 1.00 0.00 C ATOM 0 HA PRO A 23 -0.686 5.275 3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.490 6.629 5.695 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.652 4.902 5.447 1.00 0.00 H new ATOM 0 HG2 PRO A 23 2.665 7.029 5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.912 5.303 5.211 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.997 6.817 2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 23 3.130 5.076 2.933 1.00 0.00 H new ATOM 339 N ASP A 24 -1.195 7.865 4.532 1.00 0.00 N ATOM 340 CA ASP A 24 -1.878 9.147 4.479 1.00 0.00 C ATOM 341 C ASP A 24 -1.787 9.822 5.849 1.00 0.00 C ATOM 342 O ASP A 24 -2.129 11.010 5.946 1.00 0.00 O ATOM 343 CB ASP A 24 -3.358 8.971 4.137 1.00 0.00 C ATOM 344 CG ASP A 24 -4.152 8.109 5.121 1.00 0.00 C ATOM 345 OD1 ASP A 24 -3.701 7.031 5.535 1.00 0.00 O ATOM 346 OD2 ASP A 24 -5.296 8.594 5.469 1.00 0.00 O ATOM 0 H ASP A 24 -1.251 7.398 5.437 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.401 9.752 3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.822 9.956 4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.436 8.527 3.144 1.00 0.00 H new ATOM 351 N ASP A 25 -1.336 9.065 6.866 1.00 0.00 N ATOM 352 CA ASP A 25 -1.204 9.588 8.216 1.00 0.00 C ATOM 353 C ASP A 25 0.193 9.261 8.750 1.00 0.00 C ATOM 354 O ASP A 25 1.015 10.183 8.854 1.00 0.00 O ATOM 355 CB ASP A 25 -2.230 8.951 9.156 1.00 0.00 C ATOM 356 CG ASP A 25 -3.692 9.178 8.766 1.00 0.00 C ATOM 357 OD1 ASP A 25 -4.050 10.415 8.687 1.00 0.00 O ATOM 358 OD2 ASP A 25 -4.450 8.221 8.548 1.00 0.00 O ATOM 0 H ASP A 25 -1.059 8.088 6.766 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.369 10.665 8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.044 7.878 9.200 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.073 9.343 10.161 1.00 0.00 H new ATOM 363 N GLY A 26 0.429 7.977 9.071 1.00 0.00 N ATOM 364 CA GLY A 26 1.713 7.536 9.588 1.00 0.00 C ATOM 365 C GLY A 26 2.796 7.790 8.536 1.00 0.00 C ATOM 366 O GLY A 26 3.119 6.859 7.785 1.00 0.00 O ATOM 0 H GLY A 26 -0.262 7.233 8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.951 8.071 10.508 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.673 6.476 9.837 1.00 0.00 H new ATOM 370 N SER A 27 3.326 9.026 8.503 1.00 0.00 N ATOM 371 CA SER A 27 4.360 9.395 7.553 1.00 0.00 C ATOM 372 C SER A 27 3.850 9.157 6.131 1.00 0.00 C ATOM 373 O SER A 27 2.632 9.254 5.917 1.00 0.00 O ATOM 374 CB SER A 27 5.649 8.606 7.794 1.00 0.00 C ATOM 375 OG SER A 27 5.595 7.306 7.212 1.00 0.00 O ATOM 0 H SER A 27 3.046 9.780 9.131 1.00 0.00 H new ATOM 0 HA SER A 27 4.592 10.451 7.688 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.494 9.155 7.378 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.824 8.516 8.866 1.00 0.00 H new ATOM 0 HG SER A 27 4.669 6.986 7.211 1.00 0.00 H new ATOM 381 N LYS A 28 4.773 8.855 5.200 1.00 0.00 N ATOM 382 CA LYS A 28 4.418 8.607 3.814 1.00 0.00 C ATOM 383 C LYS A 28 5.222 7.413 3.292 1.00 0.00 C ATOM 384 O LYS A 28 5.798 7.524 2.200 1.00 0.00 O ATOM 385 CB LYS A 28 4.592 9.878 2.981 1.00 0.00 C ATOM 386 CG LYS A 28 3.543 9.953 1.871 1.00 0.00 C ATOM 387 CD LYS A 28 3.906 11.028 0.845 1.00 0.00 C ATOM 388 CE LYS A 28 5.088 10.586 -0.020 1.00 0.00 C ATOM 389 NZ LYS A 28 4.661 10.389 -1.415 1.00 0.00 N ATOM 0 H LYS A 28 5.771 8.780 5.396 1.00 0.00 H new ATOM 0 HA LYS A 28 3.364 8.342 3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.509 10.753 3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.591 9.897 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.462 8.985 1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.567 10.172 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.044 11.235 0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.154 11.957 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.878 11.336 0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.507 9.659 0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.475 10.089 -1.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.923 9.657 -1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.282 11.281 -1.791 1.00 0.00 H new ATOM 403 N ASP A 29 5.244 6.316 4.070 1.00 0.00 N ATOM 404 CA ASP A 29 5.970 5.117 3.687 1.00 0.00 C ATOM 405 C ASP A 29 5.466 3.934 4.518 1.00 0.00 C ATOM 406 O ASP A 29 5.113 4.144 5.688 1.00 0.00 O ATOM 407 CB ASP A 29 7.470 5.274 3.950 1.00 0.00 C ATOM 408 CG ASP A 29 7.830 6.199 5.113 1.00 0.00 C ATOM 409 OD1 ASP A 29 7.870 5.629 6.270 1.00 0.00 O ATOM 410 OD2 ASP A 29 8.060 7.404 4.925 1.00 0.00 O ATOM 0 H ASP A 29 4.763 6.247 4.967 1.00 0.00 H new ATOM 0 HA ASP A 29 5.806 4.948 2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.894 4.289 4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.944 5.652 3.045 1.00 0.00 H new ATOM 415 N VAL A 30 5.444 2.737 3.908 1.00 0.00 N ATOM 416 CA VAL A 30 4.988 1.536 4.586 1.00 0.00 C ATOM 417 C VAL A 30 5.455 0.305 3.806 1.00 0.00 C ATOM 418 O VAL A 30 4.925 0.064 2.712 1.00 0.00 O ATOM 419 CB VAL A 30 3.471 1.584 4.774 1.00 0.00 C ATOM 420 CG1 VAL A 30 2.804 2.368 3.641 1.00 0.00 C ATOM 421 CG2 VAL A 30 2.887 0.173 4.882 1.00 0.00 C ATOM 0 H VAL A 30 5.740 2.587 2.944 1.00 0.00 H new ATOM 0 HA VAL A 30 5.424 1.473 5.583 1.00 0.00 H new ATOM 0 HB VAL A 30 3.265 2.104 5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.726 2.388 3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.188 3.388 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.023 1.887 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.807 0.235 5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.109 -0.383 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.329 -0.339 5.737 1.00 0.00 H new ATOM 431 N PHE A 31 6.423 -0.437 4.374 1.00 0.00 N ATOM 432 CA PHE A 31 6.954 -1.629 3.734 1.00 0.00 C ATOM 433 C PHE A 31 5.878 -2.716 3.721 1.00 0.00 C ATOM 434 O PHE A 31 5.118 -2.807 4.695 1.00 0.00 O ATOM 435 CB PHE A 31 8.202 -2.104 4.504 1.00 0.00 C ATOM 436 CG PHE A 31 7.906 -2.999 5.702 1.00 0.00 C ATOM 437 CD1 PHE A 31 7.366 -4.289 5.504 1.00 0.00 C ATOM 438 CD2 PHE A 31 8.178 -2.548 7.014 1.00 0.00 C ATOM 439 CE1 PHE A 31 7.096 -5.123 6.611 1.00 0.00 C ATOM 440 CE2 PHE A 31 7.908 -3.381 8.120 1.00 0.00 C ATOM 441 CZ PHE A 31 7.367 -4.669 7.918 1.00 0.00 C ATOM 0 H PHE A 31 6.847 -0.222 5.277 1.00 0.00 H new ATOM 0 HA PHE A 31 7.240 -1.410 2.705 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.854 -2.643 3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.755 -1.230 4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.159 -4.638 4.503 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.593 -1.563 7.170 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.682 -6.108 6.457 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.115 -3.033 9.121 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.161 -5.307 8.765 1.00 0.00 H new ATOM 451 N VAL A 32 5.835 -3.507 2.633 1.00 0.00 N ATOM 452 CA VAL A 32 4.861 -4.577 2.496 1.00 0.00 C ATOM 453 C VAL A 32 5.495 -5.743 1.735 1.00 0.00 C ATOM 454 O VAL A 32 6.606 -5.572 1.213 1.00 0.00 O ATOM 455 CB VAL A 32 3.591 -4.046 1.828 1.00 0.00 C ATOM 456 CG1 VAL A 32 3.908 -2.862 0.911 1.00 0.00 C ATOM 457 CG2 VAL A 32 2.871 -5.156 1.061 1.00 0.00 C ATOM 0 H VAL A 32 6.470 -3.415 1.840 1.00 0.00 H new ATOM 0 HA VAL A 32 4.564 -4.952 3.476 1.00 0.00 H new ATOM 0 HB VAL A 32 2.922 -3.692 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.988 -2.503 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.357 -2.059 1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.605 -3.179 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.972 -4.752 0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.532 -5.553 0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.596 -5.955 1.750 1.00 0.00 H new ATOM 467 N HIS A 33 4.787 -6.886 1.688 1.00 0.00 N ATOM 468 CA HIS A 33 5.277 -8.066 0.997 1.00 0.00 C ATOM 469 C HIS A 33 4.135 -8.692 0.194 1.00 0.00 C ATOM 470 O HIS A 33 2.998 -8.689 0.685 1.00 0.00 O ATOM 471 CB HIS A 33 5.920 -9.049 1.980 1.00 0.00 C ATOM 472 CG HIS A 33 7.429 -9.003 1.995 1.00 0.00 C ATOM 473 ND1 HIS A 33 8.202 -9.423 0.926 1.00 0.00 N ATOM 474 CD2 HIS A 33 8.298 -8.583 2.959 1.00 0.00 C ATOM 475 CE1 HIS A 33 9.478 -9.259 1.244 1.00 0.00 C ATOM 476 NE2 HIS A 33 9.535 -8.739 2.504 1.00 0.00 N ATOM 0 H HIS A 33 3.873 -7.006 2.125 1.00 0.00 H new ATOM 0 HA HIS A 33 6.062 -7.784 0.296 1.00 0.00 H new ATOM 0 HB2 HIS A 33 5.550 -8.838 2.983 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.600 -10.060 1.729 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.026 -8.190 3.928 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.324 -9.495 0.616 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.388 -8.508 3.013 1.00 0.00 H new ATOM 484 N PHE A 34 4.457 -9.210 -1.005 1.00 0.00 N ATOM 485 CA PHE A 34 3.464 -9.833 -1.865 1.00 0.00 C ATOM 486 C PHE A 34 2.793 -10.983 -1.111 1.00 0.00 C ATOM 487 O PHE A 34 3.041 -11.123 0.095 1.00 0.00 O ATOM 488 CB PHE A 34 4.151 -10.346 -3.145 1.00 0.00 C ATOM 489 CG PHE A 34 5.160 -11.465 -2.919 1.00 0.00 C ATOM 490 CD1 PHE A 34 6.404 -11.186 -2.307 1.00 0.00 C ATOM 491 CD2 PHE A 34 4.857 -12.790 -3.314 1.00 0.00 C ATOM 492 CE1 PHE A 34 7.338 -12.221 -2.094 1.00 0.00 C ATOM 493 CE2 PHE A 34 5.792 -13.825 -3.098 1.00 0.00 C ATOM 494 CZ PHE A 34 7.032 -13.540 -2.489 1.00 0.00 C ATOM 0 H PHE A 34 5.401 -9.204 -1.391 1.00 0.00 H new ATOM 0 HA PHE A 34 2.700 -9.107 -2.145 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.385 -10.699 -3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.657 -9.511 -3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.640 -10.177 -2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.909 -13.009 -3.782 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.288 -12.004 -1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.558 -14.835 -3.399 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.748 -14.332 -2.325 1.00 0.00 H new ATOM 504 N SER A 35 1.968 -11.771 -1.825 1.00 0.00 N ATOM 505 CA SER A 35 1.270 -12.897 -1.228 1.00 0.00 C ATOM 506 C SER A 35 0.227 -12.376 -0.238 1.00 0.00 C ATOM 507 O SER A 35 -0.381 -13.197 0.464 1.00 0.00 O ATOM 508 CB SER A 35 2.241 -13.849 -0.526 1.00 0.00 C ATOM 509 OG SER A 35 3.300 -14.258 -1.384 1.00 0.00 O ATOM 0 H SER A 35 1.776 -11.638 -2.818 1.00 0.00 H new ATOM 0 HA SER A 35 0.776 -13.460 -2.020 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.656 -13.359 0.354 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.698 -14.727 -0.176 1.00 0.00 H new ATOM 0 HG SER A 35 3.829 -13.476 -1.647 1.00 0.00 H new ATOM 515 N ALA A 36 0.043 -11.045 -0.200 1.00 0.00 N ATOM 516 CA ALA A 36 -0.918 -10.425 0.697 1.00 0.00 C ATOM 517 C ALA A 36 -1.974 -9.684 -0.127 1.00 0.00 C ATOM 518 O ALA A 36 -3.049 -9.392 0.416 1.00 0.00 O ATOM 519 CB ALA A 36 -0.217 -9.364 1.549 1.00 0.00 C ATOM 0 H ALA A 36 0.554 -10.385 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.363 -11.203 1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.940 -8.901 2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.574 -9.832 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.215 -8.603 0.899 1.00 0.00 H new ATOM 525 N ILE A 37 -1.651 -9.397 -1.402 1.00 0.00 N ATOM 526 CA ILE A 37 -2.564 -8.697 -2.289 1.00 0.00 C ATOM 527 C ILE A 37 -3.724 -9.626 -2.655 1.00 0.00 C ATOM 528 O ILE A 37 -3.897 -9.911 -3.848 1.00 0.00 O ATOM 529 CB ILE A 37 -1.815 -8.143 -3.501 1.00 0.00 C ATOM 530 CG1 ILE A 37 -2.790 -7.690 -4.589 1.00 0.00 C ATOM 531 CG2 ILE A 37 -0.797 -9.157 -4.028 1.00 0.00 C ATOM 532 CD1 ILE A 37 -2.425 -6.298 -5.109 1.00 0.00 C ATOM 0 H ILE A 37 -0.759 -9.645 -1.830 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.994 -7.831 -1.786 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.257 -7.262 -3.183 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.779 -8.404 -5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.805 -7.679 -4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.278 -8.737 -4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.074 -9.387 -3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.313 -10.070 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.134 -6.001 -5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.461 -5.582 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.419 -6.319 -5.529 1.00 0.00 H new ATOM 544 N GLN A 38 -4.483 -10.071 -1.637 1.00 0.00 N ATOM 545 CA GLN A 38 -5.615 -10.957 -1.852 1.00 0.00 C ATOM 546 C GLN A 38 -5.292 -11.920 -2.997 1.00 0.00 C ATOM 547 O GLN A 38 -6.188 -12.188 -3.811 1.00 0.00 O ATOM 548 CB GLN A 38 -6.896 -10.174 -2.138 1.00 0.00 C ATOM 549 CG GLN A 38 -7.183 -9.164 -1.024 1.00 0.00 C ATOM 550 CD GLN A 38 -7.234 -9.855 0.341 1.00 0.00 C ATOM 551 OE1 GLN A 38 -8.101 -10.667 0.622 1.00 0.00 O ATOM 552 NE2 GLN A 38 -6.262 -9.488 1.168 1.00 0.00 N ATOM 0 H GLN A 38 -4.323 -9.825 -0.660 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.791 -11.528 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.803 -9.653 -3.091 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.734 -10.864 -2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.411 -8.395 -1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.131 -8.663 -1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.569 -8.803 0.868 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.209 -9.891 2.103 1.00 0.00 H new ATOM 561 N ASN A 39 -4.042 -12.414 -3.034 1.00 0.00 N ATOM 562 CA ASN A 39 -3.609 -13.338 -4.068 1.00 0.00 C ATOM 563 C ASN A 39 -4.149 -12.871 -5.422 1.00 0.00 C ATOM 564 O ASN A 39 -4.507 -11.688 -5.539 1.00 0.00 O ATOM 565 CB ASN A 39 -4.146 -14.747 -3.808 1.00 0.00 C ATOM 566 CG ASN A 39 -5.676 -14.764 -3.827 1.00 0.00 C ATOM 567 OD1 ASN A 39 -6.338 -14.513 -2.833 1.00 0.00 O ATOM 568 ND2 ASN A 39 -6.198 -15.073 -5.011 1.00 0.00 N ATOM 0 H ASN A 39 -3.320 -12.181 -2.352 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.519 -13.360 -4.065 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.762 -15.432 -4.564 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.787 -15.104 -2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.211 -15.111 -5.128 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.586 -15.272 -5.802 1.00 0.00 H new ATOM 575 N ASP A 40 -4.198 -13.790 -6.402 1.00 0.00 N ATOM 576 CA ASP A 40 -4.689 -13.473 -7.732 1.00 0.00 C ATOM 577 C ASP A 40 -3.904 -14.282 -8.767 1.00 0.00 C ATOM 578 O ASP A 40 -4.537 -14.951 -9.595 1.00 0.00 O ATOM 579 CB ASP A 40 -4.501 -11.989 -8.050 1.00 0.00 C ATOM 580 CG ASP A 40 -4.468 -11.645 -9.540 1.00 0.00 C ATOM 581 OD1 ASP A 40 -3.307 -11.741 -10.097 1.00 0.00 O ATOM 582 OD2 ASP A 40 -5.498 -11.303 -10.140 1.00 0.00 O ATOM 0 H ASP A 40 -3.900 -14.759 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.751 -13.717 -7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.309 -11.427 -7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.571 -11.650 -7.594 1.00 0.00 H new ATOM 587 N GLY A 41 -2.562 -14.203 -8.701 1.00 0.00 N ATOM 588 CA GLY A 41 -1.702 -14.921 -9.626 1.00 0.00 C ATOM 589 C GLY A 41 -0.839 -13.920 -10.396 1.00 0.00 C ATOM 590 O GLY A 41 0.349 -13.794 -10.068 1.00 0.00 O ATOM 0 H GLY A 41 -2.060 -13.644 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.069 -15.622 -9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.304 -15.508 -10.319 1.00 0.00 H new ATOM 594 N TYR A 42 -1.443 -13.241 -11.386 1.00 0.00 N ATOM 595 CA TYR A 42 -0.676 -12.278 -12.159 1.00 0.00 C ATOM 596 C TYR A 42 -0.307 -11.092 -11.265 1.00 0.00 C ATOM 597 O TYR A 42 -1.229 -10.442 -10.750 1.00 0.00 O ATOM 598 CB TYR A 42 -1.477 -11.836 -13.398 1.00 0.00 C ATOM 599 CG TYR A 42 -0.821 -10.729 -14.212 1.00 0.00 C ATOM 600 CD1 TYR A 42 0.456 -10.935 -14.785 1.00 0.00 C ATOM 601 CD2 TYR A 42 -1.481 -9.495 -14.404 1.00 0.00 C ATOM 602 CE1 TYR A 42 1.067 -9.914 -15.541 1.00 0.00 C ATOM 603 CE2 TYR A 42 -0.870 -8.474 -15.163 1.00 0.00 C ATOM 604 CZ TYR A 42 0.406 -8.681 -15.731 1.00 0.00 C ATOM 605 OH TYR A 42 1.001 -7.694 -16.464 1.00 0.00 O ATOM 0 H TYR A 42 -2.422 -13.341 -11.655 1.00 0.00 H new ATOM 0 HA TYR A 42 0.247 -12.735 -12.515 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.631 -12.701 -14.043 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.462 -11.498 -13.077 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.964 -11.877 -14.643 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.456 -9.332 -13.969 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.042 -10.075 -15.976 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.379 -7.533 -15.310 1.00 0.00 H new ATOM 0 HH TYR A 42 0.412 -6.912 -16.498 1.00 0.00 H new ATOM 615 N LYS A 43 1.003 -10.841 -11.094 1.00 0.00 N ATOM 616 CA LYS A 43 1.475 -9.749 -10.261 1.00 0.00 C ATOM 617 C LYS A 43 0.592 -8.520 -10.489 1.00 0.00 C ATOM 618 O LYS A 43 0.777 -7.842 -11.510 1.00 0.00 O ATOM 619 CB LYS A 43 2.963 -9.491 -10.508 1.00 0.00 C ATOM 620 CG LYS A 43 3.806 -10.692 -10.079 1.00 0.00 C ATOM 621 CD LYS A 43 3.098 -11.498 -8.987 1.00 0.00 C ATOM 622 CE LYS A 43 3.978 -12.649 -8.498 1.00 0.00 C ATOM 623 NZ LYS A 43 5.022 -12.959 -9.488 1.00 0.00 N ATOM 0 H LYS A 43 1.746 -11.388 -11.528 1.00 0.00 H new ATOM 0 HA LYS A 43 1.391 -10.011 -9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.129 -9.285 -11.565 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.279 -8.605 -9.957 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.999 -11.331 -10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.774 -10.349 -9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.850 -10.844 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.158 -11.893 -9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.439 -12.383 -7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.365 -13.532 -8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.545 -13.806 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.582 -13.134 -10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.678 -12.156 -9.564 1.00 0.00 H new ATOM 637 N SER A 44 -0.337 -8.263 -9.550 1.00 0.00 N ATOM 638 CA SER A 44 -1.237 -7.128 -9.647 1.00 0.00 C ATOM 639 C SER A 44 -0.440 -5.833 -9.470 1.00 0.00 C ATOM 640 O SER A 44 0.767 -5.840 -9.750 1.00 0.00 O ATOM 641 CB SER A 44 -2.356 -7.208 -8.609 1.00 0.00 C ATOM 642 OG SER A 44 -3.252 -8.286 -8.873 1.00 0.00 O ATOM 0 H SER A 44 -0.474 -8.836 -8.717 1.00 0.00 H new ATOM 0 HA SER A 44 -1.704 -7.141 -10.632 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.922 -7.332 -7.617 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.910 -6.269 -8.600 1.00 0.00 H new ATOM 0 HG SER A 44 -3.952 -8.305 -8.187 1.00 0.00 H new ATOM 648 N LEU A 45 -1.120 -4.764 -9.016 1.00 0.00 N ATOM 649 CA LEU A 45 -0.480 -3.479 -8.803 1.00 0.00 C ATOM 650 C LEU A 45 0.643 -3.297 -9.826 1.00 0.00 C ATOM 651 O LEU A 45 1.590 -4.096 -9.808 1.00 0.00 O ATOM 652 CB LEU A 45 -0.020 -3.343 -7.350 1.00 0.00 C ATOM 653 CG LEU A 45 -1.095 -2.942 -6.339 1.00 0.00 C ATOM 654 CD1 LEU A 45 -2.478 -3.411 -6.795 1.00 0.00 C ATOM 655 CD2 LEU A 45 -0.749 -3.454 -4.939 1.00 0.00 C ATOM 0 H LEU A 45 -2.115 -4.778 -8.793 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.190 -2.668 -8.964 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.409 -4.294 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.780 -2.604 -7.311 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.125 -1.854 -6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.224 -3.113 -6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.717 -2.958 -7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.480 -4.496 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.529 -3.155 -4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.675 -4.541 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.204 -3.031 -4.622 1.00 0.00 H new ATOM 667 N ASP A 46 0.518 -2.268 -10.681 1.00 0.00 N ATOM 668 CA ASP A 46 1.516 -1.987 -11.700 1.00 0.00 C ATOM 669 C ASP A 46 2.156 -0.625 -11.420 1.00 0.00 C ATOM 670 O ASP A 46 2.273 0.175 -12.360 1.00 0.00 O ATOM 671 CB ASP A 46 0.884 -1.936 -13.091 1.00 0.00 C ATOM 672 CG ASP A 46 -0.252 -2.934 -13.323 1.00 0.00 C ATOM 673 OD1 ASP A 46 0.062 -4.171 -13.132 1.00 0.00 O ATOM 674 OD2 ASP A 46 -1.380 -2.551 -13.666 1.00 0.00 O ATOM 0 H ASP A 46 -0.271 -1.621 -10.678 1.00 0.00 H new ATOM 0 HA ASP A 46 2.260 -2.783 -11.672 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.504 -0.929 -13.264 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.662 -2.115 -13.834 1.00 0.00 H new ATOM 679 N GLU A 47 2.548 -0.392 -10.155 1.00 0.00 N ATOM 680 CA GLU A 47 3.167 0.861 -9.760 1.00 0.00 C ATOM 681 C GLU A 47 2.109 1.967 -9.747 1.00 0.00 C ATOM 682 O GLU A 47 1.927 2.620 -10.785 1.00 0.00 O ATOM 683 CB GLU A 47 4.333 1.228 -10.681 1.00 0.00 C ATOM 684 CG GLU A 47 5.096 2.440 -10.144 1.00 0.00 C ATOM 685 CD GLU A 47 6.604 2.180 -10.143 1.00 0.00 C ATOM 686 OE1 GLU A 47 7.084 1.743 -11.257 1.00 0.00 O ATOM 687 OE2 GLU A 47 7.269 2.390 -9.116 1.00 0.00 O ATOM 0 H GLU A 47 2.442 -1.064 -9.395 1.00 0.00 H new ATOM 0 HA GLU A 47 3.579 0.746 -8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.010 0.379 -10.772 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.957 1.444 -11.681 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.874 3.314 -10.756 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.761 2.666 -9.132 1.00 0.00 H new ATOM 694 N GLY A 48 1.446 2.153 -8.591 1.00 0.00 N ATOM 695 CA GLY A 48 0.417 3.168 -8.448 1.00 0.00 C ATOM 696 C GLY A 48 -0.956 2.496 -8.403 1.00 0.00 C ATOM 697 O GLY A 48 -1.472 2.140 -9.472 1.00 0.00 O ATOM 0 H GLY A 48 1.614 1.606 -7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.582 3.744 -7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.464 3.869 -9.281 1.00 0.00 H new ATOM 701 N GLN A 49 -1.509 2.339 -7.189 1.00 0.00 N ATOM 702 CA GLN A 49 -2.809 1.715 -7.009 1.00 0.00 C ATOM 703 C GLN A 49 -3.244 1.861 -5.549 1.00 0.00 C ATOM 704 O GLN A 49 -2.461 1.497 -4.661 1.00 0.00 O ATOM 705 CB GLN A 49 -2.790 0.244 -7.430 1.00 0.00 C ATOM 706 CG GLN A 49 -3.961 -0.520 -6.810 1.00 0.00 C ATOM 707 CD GLN A 49 -4.619 -1.445 -7.836 1.00 0.00 C ATOM 708 OE1 GLN A 49 -4.134 -1.634 -8.939 1.00 0.00 O ATOM 709 NE2 GLN A 49 -5.748 -2.007 -7.412 1.00 0.00 N ATOM 0 H GLN A 49 -1.066 2.640 -6.321 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.530 2.220 -7.652 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.839 0.173 -8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.850 -0.214 -7.123 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.609 -1.106 -5.961 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.698 0.186 -6.427 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.098 -1.805 -6.475 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.264 -2.640 -8.023 1.00 0.00 H new ATOM 718 N LYS A 50 -4.465 2.382 -5.334 1.00 0.00 N ATOM 719 CA LYS A 50 -4.996 2.573 -3.995 1.00 0.00 C ATOM 720 C LYS A 50 -5.432 1.221 -3.425 1.00 0.00 C ATOM 721 O LYS A 50 -6.260 0.553 -4.061 1.00 0.00 O ATOM 722 CB LYS A 50 -6.108 3.624 -4.004 1.00 0.00 C ATOM 723 CG LYS A 50 -6.332 4.199 -2.604 1.00 0.00 C ATOM 724 CD LYS A 50 -6.396 5.726 -2.642 1.00 0.00 C ATOM 725 CE LYS A 50 -6.306 6.315 -1.233 1.00 0.00 C ATOM 726 NZ LYS A 50 -5.148 5.756 -0.514 1.00 0.00 N ATOM 0 H LYS A 50 -5.095 2.675 -6.080 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.224 2.965 -3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.848 4.427 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.033 3.177 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.259 3.803 -2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.525 3.882 -1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.581 6.112 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.326 6.043 -3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.217 7.400 -1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.222 6.099 -0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.352 5.730 0.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.960 4.791 -0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.313 6.352 -0.685 1.00 0.00 H new ATOM 740 N VAL A 51 -4.874 0.852 -2.258 1.00 0.00 N ATOM 741 CA VAL A 51 -5.203 -0.407 -1.613 1.00 0.00 C ATOM 742 C VAL A 51 -5.185 -0.217 -0.094 1.00 0.00 C ATOM 743 O VAL A 51 -4.361 0.571 0.391 1.00 0.00 O ATOM 744 CB VAL A 51 -4.249 -1.505 -2.089 1.00 0.00 C ATOM 745 CG1 VAL A 51 -3.850 -1.287 -3.549 1.00 0.00 C ATOM 746 CG2 VAL A 51 -3.014 -1.584 -1.189 1.00 0.00 C ATOM 0 H VAL A 51 -4.193 1.417 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.208 -0.726 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.773 -2.458 -2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.172 -2.080 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.742 -1.302 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.352 -0.323 -3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.352 -2.372 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.487 -0.630 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.322 -1.807 -0.167 1.00 0.00 H new ATOM 756 N SER A 52 -6.081 -0.929 0.612 1.00 0.00 N ATOM 757 CA SER A 52 -6.167 -0.840 2.059 1.00 0.00 C ATOM 758 C SER A 52 -5.217 -1.861 2.687 1.00 0.00 C ATOM 759 O SER A 52 -5.159 -2.996 2.191 1.00 0.00 O ATOM 760 CB SER A 52 -7.597 -1.072 2.551 1.00 0.00 C ATOM 761 OG SER A 52 -8.565 -0.721 1.565 1.00 0.00 O ATOM 0 H SER A 52 -6.753 -1.571 0.191 1.00 0.00 H new ATOM 0 HA SER A 52 -5.876 0.166 2.361 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.721 -2.120 2.824 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.770 -0.485 3.453 1.00 0.00 H new ATOM 0 HG SER A 52 -9.465 -0.885 1.917 1.00 0.00 H new ATOM 767 N PHE A 53 -4.503 -1.447 3.750 1.00 0.00 N ATOM 768 CA PHE A 53 -3.567 -2.321 4.435 1.00 0.00 C ATOM 769 C PHE A 53 -3.858 -2.294 5.938 1.00 0.00 C ATOM 770 O PHE A 53 -4.939 -1.824 6.321 1.00 0.00 O ATOM 771 CB PHE A 53 -2.128 -1.847 4.150 1.00 0.00 C ATOM 772 CG PHE A 53 -1.915 -0.345 4.284 1.00 0.00 C ATOM 773 CD1 PHE A 53 -2.679 0.404 5.209 1.00 0.00 C ATOM 774 CD2 PHE A 53 -0.955 0.309 3.478 1.00 0.00 C ATOM 775 CE1 PHE A 53 -2.482 1.797 5.327 1.00 0.00 C ATOM 776 CE2 PHE A 53 -0.759 1.701 3.597 1.00 0.00 C ATOM 777 CZ PHE A 53 -1.522 2.445 4.522 1.00 0.00 C ATOM 0 H PHE A 53 -4.565 -0.508 4.144 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.676 -3.344 4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.449 -2.359 4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.853 -2.151 3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.414 -0.091 5.826 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.370 -0.259 2.769 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.067 2.367 6.034 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.025 2.197 2.980 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.371 3.510 4.614 1.00 0.00 H new ATOM 787 N THR A 54 -2.904 -2.793 6.745 1.00 0.00 N ATOM 788 CA THR A 54 -3.059 -2.827 8.189 1.00 0.00 C ATOM 789 C THR A 54 -1.845 -2.163 8.843 1.00 0.00 C ATOM 790 O THR A 54 -1.102 -2.859 9.550 1.00 0.00 O ATOM 791 CB THR A 54 -3.267 -4.278 8.625 1.00 0.00 C ATOM 792 OG1 THR A 54 -3.181 -4.230 10.047 1.00 0.00 O ATOM 793 CG2 THR A 54 -2.105 -5.185 8.213 1.00 0.00 C ATOM 0 H THR A 54 -2.020 -3.176 6.409 1.00 0.00 H new ATOM 0 HA THR A 54 -3.935 -2.264 8.512 1.00 0.00 H new ATOM 0 HB THR A 54 -4.194 -4.656 8.195 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.297 -3.900 10.310 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.303 -6.204 8.546 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.000 -5.172 7.128 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.183 -4.826 8.671 1.00 0.00 H new ATOM 801 N ILE A 55 -1.670 -0.852 8.597 1.00 0.00 N ATOM 802 CA ILE A 55 -0.557 -0.106 9.158 1.00 0.00 C ATOM 803 C ILE A 55 -0.298 -0.582 10.589 1.00 0.00 C ATOM 804 O ILE A 55 -1.170 -0.374 11.446 1.00 0.00 O ATOM 805 CB ILE A 55 -0.810 1.399 9.047 1.00 0.00 C ATOM 806 CG1 ILE A 55 -0.356 1.933 7.688 1.00 0.00 C ATOM 807 CG2 ILE A 55 -0.155 2.153 10.207 1.00 0.00 C ATOM 808 CD1 ILE A 55 -0.885 3.348 7.450 1.00 0.00 C ATOM 0 H ILE A 55 -2.293 -0.297 8.011 1.00 0.00 H new ATOM 0 HA ILE A 55 0.353 -0.296 8.589 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.884 1.570 9.117 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.733 1.935 7.640 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.709 1.271 6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.350 3.220 10.104 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.568 1.798 11.151 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.921 1.978 10.193 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.547 3.704 6.477 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.975 3.338 7.475 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.510 4.012 8.229 1.00 0.00 H new ATOM 820 N GLU A 56 0.874 -1.200 10.816 1.00 0.00 N ATOM 821 CA GLU A 56 1.239 -1.701 12.130 1.00 0.00 C ATOM 822 C GLU A 56 2.712 -1.382 12.400 1.00 0.00 C ATOM 823 O GLU A 56 3.434 -1.072 11.441 1.00 0.00 O ATOM 824 CB GLU A 56 0.971 -3.201 12.257 1.00 0.00 C ATOM 825 CG GLU A 56 -0.200 -3.471 13.204 1.00 0.00 C ATOM 826 CD GLU A 56 -0.354 -4.969 13.472 1.00 0.00 C ATOM 827 OE1 GLU A 56 -0.743 -5.723 12.568 1.00 0.00 O ATOM 828 OE2 GLU A 56 -0.054 -5.342 14.669 1.00 0.00 O ATOM 0 H GLU A 56 1.579 -1.359 10.097 1.00 0.00 H new ATOM 0 HA GLU A 56 0.619 -1.206 12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.753 -3.619 11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.865 -3.704 12.626 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.040 -2.944 14.145 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.120 -3.079 12.771 1.00 0.00 H new ATOM 835 N SER A 57 3.123 -1.466 13.677 1.00 0.00 N ATOM 836 CA SER A 57 4.495 -1.189 14.066 1.00 0.00 C ATOM 837 C SER A 57 5.208 -2.508 14.375 1.00 0.00 C ATOM 838 O SER A 57 4.613 -3.353 15.059 1.00 0.00 O ATOM 839 CB SER A 57 4.558 -0.255 15.277 1.00 0.00 C ATOM 840 OG SER A 57 5.897 0.112 15.598 1.00 0.00 O ATOM 0 H SER A 57 2.513 -1.726 14.452 1.00 0.00 H new ATOM 0 HA SER A 57 4.994 -0.685 13.239 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.975 0.643 15.073 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.100 -0.744 16.137 1.00 0.00 H new ATOM 0 HG SER A 57 5.895 0.709 16.375 1.00 0.00 H new ATOM 846 N GLY A 58 6.449 -2.652 13.876 1.00 0.00 N ATOM 847 CA GLY A 58 7.232 -3.856 14.097 1.00 0.00 C ATOM 848 C GLY A 58 8.719 -3.522 13.974 1.00 0.00 C ATOM 849 O GLY A 58 9.042 -2.471 13.400 1.00 0.00 O ATOM 0 H GLY A 58 6.922 -1.941 13.317 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.020 -4.265 15.085 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.958 -4.620 13.370 1.00 0.00 H new ATOM 853 N ALA A 59 9.583 -4.405 14.507 1.00 0.00 N ATOM 854 CA ALA A 59 11.020 -4.203 14.456 1.00 0.00 C ATOM 855 C ALA A 59 11.373 -2.892 15.162 1.00 0.00 C ATOM 856 O ALA A 59 11.674 -2.933 16.363 1.00 0.00 O ATOM 857 CB ALA A 59 11.466 -4.040 13.002 1.00 0.00 C ATOM 0 H ALA A 59 9.298 -5.264 14.977 1.00 0.00 H new ATOM 0 HA ALA A 59 11.505 -5.058 14.927 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.545 -3.889 12.967 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.207 -4.937 12.439 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.964 -3.178 12.562 1.00 0.00 H new ATOM 863 N LYS A 60 11.328 -1.775 14.415 1.00 0.00 N ATOM 864 CA LYS A 60 11.640 -0.468 14.966 1.00 0.00 C ATOM 865 C LYS A 60 10.787 0.592 14.267 1.00 0.00 C ATOM 866 O LYS A 60 10.276 1.486 14.956 1.00 0.00 O ATOM 867 CB LYS A 60 13.144 -0.198 14.886 1.00 0.00 C ATOM 868 CG LYS A 60 13.692 0.254 16.240 1.00 0.00 C ATOM 869 CD LYS A 60 13.935 -0.944 17.161 1.00 0.00 C ATOM 870 CE LYS A 60 12.976 -0.923 18.353 1.00 0.00 C ATOM 871 NZ LYS A 60 13.109 0.339 19.099 1.00 0.00 N ATOM 0 H LYS A 60 11.077 -1.764 13.427 1.00 0.00 H new ATOM 0 HA LYS A 60 11.389 -0.432 16.026 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.662 -1.101 14.563 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.340 0.568 14.136 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.624 0.801 16.095 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.989 0.942 16.710 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.804 -1.870 16.601 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.965 -0.930 17.518 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.950 -1.040 18.004 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.186 -1.766 19.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.990 0.156 20.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.051 0.745 18.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.380 1.009 18.780 1.00 0.00 H new ATOM 885 N GLY A 61 10.654 0.474 12.933 1.00 0.00 N ATOM 886 CA GLY A 61 9.869 1.416 12.151 1.00 0.00 C ATOM 887 C GLY A 61 8.471 0.840 11.920 1.00 0.00 C ATOM 888 O GLY A 61 8.090 -0.093 12.643 1.00 0.00 O ATOM 0 H GLY A 61 11.085 -0.270 12.384 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.800 2.371 12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.358 1.609 11.196 1.00 0.00 H new ATOM 892 N PRO A 62 7.746 1.396 10.933 1.00 0.00 N ATOM 893 CA PRO A 62 6.404 0.967 10.583 1.00 0.00 C ATOM 894 C PRO A 62 6.431 -0.360 9.822 1.00 0.00 C ATOM 895 O PRO A 62 7.527 -0.913 9.644 1.00 0.00 O ATOM 896 CB PRO A 62 5.825 2.109 9.765 1.00 0.00 C ATOM 897 CG PRO A 62 7.016 2.928 9.293 1.00 0.00 C ATOM 898 CD PRO A 62 8.229 2.494 10.100 1.00 0.00 C ATOM 0 HA PRO A 62 5.786 0.769 11.459 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.250 1.732 8.919 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.147 2.715 10.366 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.190 2.771 8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.826 3.992 9.431 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.042 2.170 9.450 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.614 3.313 10.708 1.00 0.00 H new ATOM 906 N ALA A 63 5.248 -0.834 9.395 1.00 0.00 N ATOM 907 CA ALA A 63 5.140 -2.083 8.659 1.00 0.00 C ATOM 908 C ALA A 63 3.737 -2.198 8.061 1.00 0.00 C ATOM 909 O ALA A 63 2.835 -1.487 8.530 1.00 0.00 O ATOM 910 CB ALA A 63 5.294 -3.262 9.622 1.00 0.00 C ATOM 0 H ALA A 63 4.358 -0.362 9.553 1.00 0.00 H new ATOM 0 HA ALA A 63 5.909 -2.097 7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.213 -4.197 9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.269 -3.211 10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.510 -3.219 10.378 1.00 0.00 H new ATOM 916 N ALA A 64 3.580 -3.076 7.055 1.00 0.00 N ATOM 917 CA ALA A 64 2.297 -3.280 6.402 1.00 0.00 C ATOM 918 C ALA A 64 1.780 -4.682 6.730 1.00 0.00 C ATOM 919 O ALA A 64 2.058 -5.170 7.835 1.00 0.00 O ATOM 920 CB ALA A 64 2.480 -3.233 4.885 1.00 0.00 C ATOM 0 H ALA A 64 4.335 -3.652 6.683 1.00 0.00 H new ATOM 0 HA ALA A 64 1.608 -2.507 6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.517 -3.386 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.882 -2.262 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.171 -4.018 4.577 1.00 0.00 H new ATOM 926 N GLY A 65 1.052 -5.293 5.779 1.00 0.00 N ATOM 927 CA GLY A 65 0.503 -6.626 5.965 1.00 0.00 C ATOM 928 C GLY A 65 -0.962 -6.635 5.523 1.00 0.00 C ATOM 929 O GLY A 65 -1.511 -5.552 5.273 1.00 0.00 O ATOM 0 H GLY A 65 0.836 -4.874 4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.074 -7.351 5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.581 -6.921 7.011 1.00 0.00 H new ATOM 933 N ASN A 66 -1.557 -7.839 5.437 1.00 0.00 N ATOM 934 CA ASN A 66 -2.943 -7.985 5.030 1.00 0.00 C ATOM 935 C ASN A 66 -3.335 -6.805 4.138 1.00 0.00 C ATOM 936 O ASN A 66 -3.961 -5.863 4.647 1.00 0.00 O ATOM 937 CB ASN A 66 -3.877 -7.991 6.242 1.00 0.00 C ATOM 938 CG ASN A 66 -3.892 -9.365 6.914 1.00 0.00 C ATOM 939 OD1 ASN A 66 -3.766 -10.399 6.277 1.00 0.00 O ATOM 940 ND2 ASN A 66 -4.054 -9.320 8.234 1.00 0.00 N ATOM 0 H ASN A 66 -1.087 -8.720 5.647 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.039 -8.931 4.497 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.555 -7.235 6.958 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.886 -7.724 5.929 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.079 -10.185 8.775 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.154 -8.421 8.705 1.00 0.00 H new ATOM 947 N VAL A 67 -2.966 -6.878 2.846 1.00 0.00 N ATOM 948 CA VAL A 67 -3.277 -5.823 1.896 1.00 0.00 C ATOM 949 C VAL A 67 -4.436 -6.272 1.003 1.00 0.00 C ATOM 950 O VAL A 67 -4.601 -7.487 0.817 1.00 0.00 O ATOM 951 CB VAL A 67 -2.024 -5.445 1.104 1.00 0.00 C ATOM 952 CG1 VAL A 67 -2.363 -5.182 -0.364 1.00 0.00 C ATOM 953 CG2 VAL A 67 -1.322 -4.239 1.731 1.00 0.00 C ATOM 0 H VAL A 67 -2.451 -7.663 2.447 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.599 -4.922 2.418 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.335 -6.289 1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.455 -4.915 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.797 -6.080 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.079 -4.363 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.435 -3.991 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.001 -3.386 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.030 -4.479 2.753 1.00 0.00 H new ATOM 963 N THR A 68 -5.203 -5.301 0.476 1.00 0.00 N ATOM 964 CA THR A 68 -6.333 -5.595 -0.388 1.00 0.00 C ATOM 965 C THR A 68 -6.563 -4.419 -1.338 1.00 0.00 C ATOM 966 O THR A 68 -6.781 -3.300 -0.849 1.00 0.00 O ATOM 967 CB THR A 68 -7.546 -5.916 0.487 1.00 0.00 C ATOM 968 OG1 THR A 68 -8.655 -5.432 -0.266 1.00 0.00 O ATOM 969 CG2 THR A 68 -7.578 -5.085 1.772 1.00 0.00 C ATOM 0 H THR A 68 -5.050 -4.306 0.641 1.00 0.00 H new ATOM 0 HA THR A 68 -6.143 -6.468 -1.013 1.00 0.00 H new ATOM 0 HB THR A 68 -7.540 -6.976 0.740 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.484 -5.601 0.228 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.459 -5.352 2.356 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.680 -5.285 2.357 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.618 -4.025 1.519 1.00 0.00 H new ATOM 977 N SER A 69 -6.511 -4.688 -2.654 1.00 0.00 N ATOM 978 CA SER A 69 -6.713 -3.659 -3.661 1.00 0.00 C ATOM 979 C SER A 69 -8.014 -2.912 -3.364 1.00 0.00 C ATOM 980 O SER A 69 -9.064 -3.565 -3.277 1.00 0.00 O ATOM 981 CB SER A 69 -6.749 -4.253 -5.069 1.00 0.00 C ATOM 982 OG SER A 69 -7.217 -5.599 -5.070 1.00 0.00 O ATOM 0 H SER A 69 -6.329 -5.616 -3.035 1.00 0.00 H new ATOM 0 HA SER A 69 -5.873 -2.965 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.394 -3.645 -5.703 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.750 -4.216 -5.503 1.00 0.00 H new ATOM 0 HG SER A 69 -7.227 -5.941 -5.988 1.00 0.00 H new ATOM 988 N LEU A 70 -7.923 -1.578 -3.219 1.00 0.00 N ATOM 989 CA LEU A 70 -9.084 -0.752 -2.937 1.00 0.00 C ATOM 990 C LEU A 70 -10.221 -1.638 -2.423 1.00 0.00 C ATOM 991 O LEU A 70 -11.113 -2.011 -3.184 1.00 0.00 O ATOM 992 CB LEU A 70 -9.460 0.082 -4.163 1.00 0.00 C ATOM 993 CG LEU A 70 -9.129 1.574 -4.088 1.00 0.00 C ATOM 994 CD1 LEU A 70 -8.927 2.161 -5.486 1.00 0.00 C ATOM 995 CD2 LEU A 70 -10.196 2.333 -3.297 1.00 0.00 C ATOM 0 H LEU A 70 -7.049 -1.058 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.858 -0.033 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.955 -0.338 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.531 -0.024 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.187 1.689 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.693 3.222 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.105 1.645 -5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.839 2.034 -6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.937 3.391 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.164 2.214 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.249 1.936 -2.283 1.00 0.00 H new