USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 861 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 74 THR OG1 : rot -139:sc= 1.15 USER MOD Set 1.2: A 84 SER OG : rot 23:sc= 1.18 USER MOD Set 2.1: A 43 SER OG : rot 110:sc= 0 USER MOD Set 2.2: A 44 SER OG : rot 38:sc= 0.63 USER MOD Set 2.3: A 47 THR OG1 : rot 15:sc= 1.5 USER MOD Set 3.1: A 20 ASN : amide:sc= -0.573 K(o=-0.61,f=-1.6) USER MOD Set 3.2: A 21 THR OG1 : rot 56:sc= -0.0359 USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.0277 (180deg=-0.0277) USER MOD Single : A 2 ASN : amide:sc= -1.04 X(o=-1,f=-1.1) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.438 K(o=-0.44,f=-2.7) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -12! C(o=-12!,f=-12!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 47:sc= 0.548 USER MOD Single : A 18 ASN : amide:sc= -1.34 K(o=-1.3,f=-3.3!) USER MOD Single : A 23 MET CE :methyl -149:sc= -0.0521 (180deg=-0.979) USER MOD Single : A 25 ASN : amide:sc= -5.87! C(o=-5.9!,f=-15!) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.338 F(o=-0.92,f=-0.34) USER MOD Single : A 28 TYR OH : rot 60:sc= -5.1! USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -2.18 X(o=-2.2,f=-2.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -160:sc= -0.584 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0404 K(o=-0.04,f=-0.68) USER MOD Single : A 62 SER OG : rot -150:sc= 0.0596 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0588 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0968 USER MOD Single : A 75 SER OG : rot 41:sc= 0.757 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0534 USER MOD Single : A 83 TYR OH : rot -6:sc= 0.791 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -4.31 K(o=-4.3,f=-8.2!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.281 K(o=-0.28,f=-0.9) USER MOD Single : A 99 GLN : amide:sc= -3.57 X(o=-3.6,f=-4!) USER MOD Single : A 100 TYR OH : rot 70:sc= -1.26! USER MOD Single : A 103 HIS :FLIP no HD1:sc= -6.28! C(o=-8.1!,f=-6.3!) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -3.695 3.992 6.784 1.00 12.00 N HETATM 2 CA PCA A 1 -2.882 3.935 8.051 1.00 12.00 C HETATM 3 CB PCA A 1 -3.824 4.216 9.223 1.00 12.00 C HETATM 4 CG PCA A 1 -5.174 4.455 8.591 1.00 12.00 C HETATM 5 CD PCA A 1 -4.944 4.297 7.093 1.00 12.00 C HETATM 6 OE PCA A 1 -5.822 4.438 6.264 1.00 12.00 O HETATM 7 C PCA A 1 -2.258 2.543 8.209 1.00 12.00 C HETATM 8 O PCA A 1 -1.202 2.397 8.802 1.00 12.00 O HETATM 0 H2 PCA A 1 -4.115 4.938 6.683 1.00 12.00 H new HETATM 0 HA PCA A 1 -2.079 4.671 8.021 1.00 12.00 H new HETATM 0 HB2 PCA A 1 -3.856 3.374 9.915 1.00 12.00 H new HETATM 0 HB3 PCA A 1 -3.496 5.085 9.793 1.00 12.00 H new HETATM 0 HG2 PCA A 1 -5.912 3.739 8.954 1.00 12.00 H new HETATM 0 HG3 PCA A 1 -5.550 5.450 8.829 1.00 12.00 H new ATOM 15 N ASN A 2 -2.917 1.528 7.686 1.00 12.00 N ATOM 16 CA ASN A 2 -2.395 0.128 7.795 1.00 12.00 C ATOM 17 C ASN A 2 -2.706 -0.634 6.494 1.00 12.00 C ATOM 18 O ASN A 2 -3.575 -0.246 5.735 1.00 12.00 O ATOM 19 CB ASN A 2 -3.046 -0.551 9.008 1.00 12.00 C ATOM 20 CG ASN A 2 -2.529 -1.985 9.164 1.00 12.00 C ATOM 21 OD1 ASN A 2 -1.337 -2.220 9.132 1.00 12.00 O ATOM 22 ND2 ASN A 2 -3.379 -2.959 9.348 1.00 12.00 N ATOM 0 H ASN A 2 -3.801 1.615 7.185 1.00 12.00 H new ATOM 0 HA ASN A 2 -1.314 0.131 7.937 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -2.829 0.020 9.911 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -4.129 -0.560 8.889 1.00 12.00 H new ATOM 0 HD21 ASN A 2 -3.042 -3.915 9.465 1.00 12.00 H new ATOM 0 HD22 ASN A 2 -4.380 -2.764 9.375 1.00 12.00 H new ATOM 29 N TRP A 3 -1.973 -1.694 6.235 1.00 12.00 N ATOM 30 CA TRP A 3 -2.151 -2.505 4.969 1.00 12.00 C ATOM 31 C TRP A 3 -3.481 -3.298 5.004 1.00 12.00 C ATOM 32 O TRP A 3 -4.070 -3.553 3.971 1.00 12.00 O ATOM 33 CB TRP A 3 -0.980 -3.501 4.861 1.00 12.00 C ATOM 34 CG TRP A 3 -0.218 -3.385 3.573 1.00 12.00 C ATOM 35 CD1 TRP A 3 1.123 -3.221 3.520 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.672 -3.473 2.179 1.00 12.00 C ATOM 37 NE1 TRP A 3 1.530 -3.223 2.203 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.467 -3.370 1.338 1.00 12.00 C ATOM 39 CE3 TRP A 3 -1.930 -3.628 1.560 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.365 -3.438 -0.051 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -2.034 -3.694 0.158 1.00 12.00 C ATOM 42 CH2 TRP A 3 -0.887 -3.602 -0.646 1.00 12.00 C ATOM 0 H TRP A 3 -1.243 -2.043 6.856 1.00 12.00 H new ATOM 0 HA TRP A 3 -2.171 -1.830 4.114 1.00 12.00 H new ATOM 0 HB2 TRP A 3 -0.297 -3.340 5.695 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -1.366 -4.516 4.957 1.00 12.00 H new ATOM 0 HD1 TRP A 3 1.773 -3.106 4.375 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.501 -3.127 1.905 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -2.821 -3.697 2.167 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.251 -3.364 -0.664 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -3.003 -3.816 -0.303 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -0.973 -3.658 -1.721 1.00 12.00 H new ATOM 53 N ALA A 4 -3.927 -3.718 6.177 1.00 12.00 N ATOM 54 CA ALA A 4 -5.195 -4.532 6.289 1.00 12.00 C ATOM 55 C ALA A 4 -6.420 -3.661 5.986 1.00 12.00 C ATOM 56 O ALA A 4 -7.174 -3.929 5.056 1.00 12.00 O ATOM 57 CB ALA A 4 -5.309 -5.106 7.709 1.00 12.00 C ATOM 0 H ALA A 4 -3.464 -3.530 7.066 1.00 12.00 H new ATOM 0 HA ALA A 4 -5.157 -5.346 5.565 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -6.223 -5.694 7.792 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -4.449 -5.743 7.914 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -5.336 -4.289 8.430 1.00 12.00 H new ATOM 63 N THR A 5 -6.618 -2.631 6.776 1.00 12.00 N ATOM 64 CA THR A 5 -7.778 -1.712 6.568 1.00 12.00 C ATOM 65 C THR A 5 -7.633 -1.050 5.197 1.00 12.00 C ATOM 66 O THR A 5 -8.617 -0.790 4.524 1.00 12.00 O ATOM 67 CB THR A 5 -7.807 -0.641 7.667 1.00 12.00 C ATOM 68 OG1 THR A 5 -7.781 -1.274 8.938 1.00 12.00 O ATOM 69 CG2 THR A 5 -9.084 0.197 7.538 1.00 12.00 C ATOM 0 H THR A 5 -6.017 -2.388 7.564 1.00 12.00 H new ATOM 0 HA THR A 5 -8.710 -2.276 6.613 1.00 12.00 H new ATOM 0 HB THR A 5 -6.939 0.010 7.564 1.00 12.00 H new ATOM 0 HG1 THR A 5 -7.798 -0.593 9.643 1.00 12.00 H new ATOM 0 HG21 THR A 5 -9.101 0.956 8.320 1.00 12.00 H new ATOM 0 HG22 THR A 5 -9.105 0.681 6.562 1.00 12.00 H new ATOM 0 HG23 THR A 5 -9.955 -0.450 7.641 1.00 12.00 H new ATOM 77 N PHE A 6 -6.404 -0.816 4.770 1.00 12.00 N ATOM 78 CA PHE A 6 -6.160 -0.213 3.426 1.00 12.00 C ATOM 79 C PHE A 6 -6.430 -1.275 2.355 1.00 12.00 C ATOM 80 O PHE A 6 -6.756 -0.954 1.229 1.00 12.00 O ATOM 81 CB PHE A 6 -4.727 0.284 3.325 1.00 12.00 C ATOM 82 CG PHE A 6 -4.526 0.959 1.982 1.00 12.00 C ATOM 83 CD1 PHE A 6 -4.290 0.166 0.856 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.573 2.365 1.856 1.00 12.00 C ATOM 85 CE1 PHE A 6 -4.100 0.757 -0.390 1.00 12.00 C ATOM 86 CE2 PHE A 6 -4.383 2.958 0.603 1.00 12.00 C ATOM 87 CZ PHE A 6 -4.145 2.150 -0.520 1.00 12.00 C ATOM 0 H PHE A 6 -5.560 -1.022 5.305 1.00 12.00 H new ATOM 0 HA PHE A 6 -6.826 0.637 3.277 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.515 0.984 4.133 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -4.032 -0.549 3.434 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -4.255 -0.909 0.953 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -4.755 2.981 2.724 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -3.918 0.140 -1.257 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -4.419 4.032 0.500 1.00 12.00 H new ATOM 0 HZ PHE A 6 -3.996 2.605 -1.488 1.00 12.00 H new ATOM 97 N GLN A 7 -6.334 -2.544 2.710 1.00 12.00 N ATOM 98 CA GLN A 7 -6.625 -3.634 1.722 1.00 12.00 C ATOM 99 C GLN A 7 -8.048 -3.419 1.223 1.00 12.00 C ATOM 100 O GLN A 7 -8.331 -3.566 0.051 1.00 12.00 O ATOM 101 CB GLN A 7 -6.500 -5.014 2.378 1.00 12.00 C ATOM 102 CG GLN A 7 -6.677 -6.100 1.313 1.00 12.00 C ATOM 103 CD GLN A 7 -6.375 -7.472 1.918 1.00 12.00 C ATOM 104 OE1 GLN A 7 -5.531 -8.192 1.425 1.00 12.00 O ATOM 105 NE2 GLN A 7 -7.037 -7.872 2.970 1.00 12.00 N ATOM 0 H GLN A 7 -6.067 -2.866 3.640 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.911 -3.599 0.899 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -5.526 -5.114 2.857 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -7.253 -5.128 3.158 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -7.695 -6.079 0.925 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -6.011 -5.909 0.471 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -7.747 -7.269 3.386 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -6.845 -8.788 3.376 1.00 12.00 H new ATOM 114 N GLN A 8 -8.923 -3.006 2.114 1.00 12.00 N ATOM 115 CA GLN A 8 -10.324 -2.700 1.704 1.00 12.00 C ATOM 116 C GLN A 8 -10.309 -1.352 0.974 1.00 12.00 C ATOM 117 O GLN A 8 -11.063 -1.139 0.039 1.00 12.00 O ATOM 118 CB GLN A 8 -11.234 -2.611 2.933 1.00 12.00 C ATOM 119 CG GLN A 8 -11.940 -3.953 3.139 1.00 12.00 C ATOM 120 CD GLN A 8 -10.973 -4.941 3.789 1.00 12.00 C ATOM 121 OE1 GLN A 8 -9.976 -5.311 3.199 1.00 12.00 O ATOM 122 NE2 GLN A 8 -11.224 -5.389 4.989 1.00 12.00 N ATOM 0 H GLN A 8 -8.722 -2.869 3.105 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.707 -3.489 1.056 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.648 -2.356 3.816 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -11.969 -1.817 2.799 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.820 -3.821 3.769 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -12.288 -4.344 2.183 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -12.060 -5.079 5.485 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -10.584 -6.049 5.431 1.00 12.00 H new ATOM 131 N LYS A 9 -9.435 -0.447 1.399 1.00 12.00 N ATOM 132 CA LYS A 9 -9.326 0.910 0.758 1.00 12.00 C ATOM 133 C LYS A 9 -9.300 0.789 -0.775 1.00 12.00 C ATOM 134 O LYS A 9 -10.162 1.335 -1.447 1.00 12.00 O ATOM 135 CB LYS A 9 -8.069 1.650 1.282 1.00 12.00 C ATOM 136 CG LYS A 9 -8.006 3.067 0.705 1.00 12.00 C ATOM 137 CD LYS A 9 -9.267 3.852 1.103 1.00 12.00 C ATOM 138 CE LYS A 9 -8.884 5.286 1.470 1.00 12.00 C ATOM 139 NZ LYS A 9 -10.017 5.939 2.187 1.00 12.00 N ATOM 0 H LYS A 9 -8.788 -0.600 2.173 1.00 12.00 H new ATOM 0 HA LYS A 9 -10.205 1.495 1.029 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -8.093 1.694 2.371 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -7.171 1.097 1.005 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -7.117 3.579 1.073 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -7.922 3.023 -0.381 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -9.981 3.855 0.279 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -9.757 3.368 1.948 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -7.994 5.286 2.099 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -8.637 5.849 0.570 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -9.755 6.914 2.436 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -10.856 5.952 1.572 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -10.232 5.407 3.054 1.00 12.00 H new ATOM 153 N HIS A 10 -8.338 0.075 -1.331 1.00 12.00 N ATOM 154 CA HIS A 10 -8.280 -0.088 -2.821 1.00 12.00 C ATOM 155 C HIS A 10 -8.753 -1.466 -3.284 1.00 12.00 C ATOM 156 O HIS A 10 -8.689 -1.735 -4.477 1.00 12.00 O ATOM 157 CB HIS A 10 -6.856 0.165 -3.357 1.00 12.00 C ATOM 158 CG HIS A 10 -6.834 1.475 -4.091 1.00 12.00 C ATOM 159 ND1 HIS A 10 -6.217 1.611 -5.324 1.00 12.00 N ATOM 160 CD2 HIS A 10 -7.413 2.687 -3.822 1.00 12.00 C ATOM 161 CE1 HIS A 10 -6.444 2.863 -5.751 1.00 12.00 C ATOM 162 NE2 HIS A 10 -7.167 3.565 -4.873 1.00 12.00 N ATOM 0 H HIS A 10 -7.596 -0.398 -0.816 1.00 12.00 H new ATOM 0 HA HIS A 10 -8.963 0.658 -3.228 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -6.142 0.183 -2.534 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -6.555 -0.644 -4.022 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -7.974 2.925 -2.931 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -6.086 3.256 -6.691 1.00 12.00 H new ATOM 0 HE2 HIS A 10 -7.472 4.535 -4.956 1.00 12.00 H new ATOM 170 N ILE A 11 -9.177 -2.359 -2.398 1.00 12.00 N ATOM 171 CA ILE A 11 -9.581 -3.717 -2.906 1.00 12.00 C ATOM 172 C ILE A 11 -10.905 -4.262 -2.327 1.00 12.00 C ATOM 173 O ILE A 11 -10.941 -5.322 -1.711 1.00 12.00 O ATOM 174 CB ILE A 11 -8.433 -4.717 -2.676 1.00 12.00 C ATOM 175 CG1 ILE A 11 -7.121 -4.127 -3.210 1.00 12.00 C ATOM 176 CG2 ILE A 11 -8.738 -6.017 -3.424 1.00 12.00 C ATOM 177 CD1 ILE A 11 -6.403 -3.355 -2.099 1.00 12.00 C ATOM 0 H ILE A 11 -9.257 -2.212 -1.392 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.775 -3.593 -3.971 1.00 12.00 H new ATOM 0 HB ILE A 11 -8.336 -4.917 -1.609 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -6.479 -4.925 -3.583 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -7.326 -3.464 -4.051 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -7.927 -6.728 -3.264 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -9.671 -6.441 -3.052 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -8.833 -5.810 -4.490 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -5.473 -2.940 -2.487 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -7.042 -2.546 -1.746 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -6.182 -4.029 -1.272 1.00 12.00 H new ATOM 189 N ILE A 12 -12.010 -3.606 -2.634 1.00 12.00 N ATOM 190 CA ILE A 12 -13.343 -4.154 -2.239 1.00 12.00 C ATOM 191 C ILE A 12 -13.837 -4.866 -3.503 1.00 12.00 C ATOM 192 O ILE A 12 -14.777 -4.438 -4.148 1.00 12.00 O ATOM 193 CB ILE A 12 -14.321 -3.038 -1.836 1.00 12.00 C ATOM 194 CG1 ILE A 12 -13.741 -2.277 -0.633 1.00 12.00 C ATOM 195 CG2 ILE A 12 -15.676 -3.669 -1.477 1.00 12.00 C ATOM 196 CD1 ILE A 12 -14.759 -1.276 -0.065 1.00 12.00 C ATOM 0 H ILE A 12 -12.038 -2.720 -3.139 1.00 12.00 H new ATOM 0 HA ILE A 12 -13.273 -4.812 -1.373 1.00 12.00 H new ATOM 0 HB ILE A 12 -14.465 -2.338 -2.659 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -13.451 -2.985 0.143 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -12.837 -1.748 -0.935 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -16.377 -2.886 -1.190 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -16.067 -4.207 -2.341 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -15.546 -4.362 -0.646 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -14.320 -0.753 0.785 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -15.028 -0.554 -0.836 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -15.652 -1.810 0.260 1.00 12.00 H new ATOM 208 N ASN A 13 -13.142 -5.926 -3.884 1.00 12.00 N ATOM 209 CA ASN A 13 -13.479 -6.676 -5.140 1.00 12.00 C ATOM 210 C ASN A 13 -14.860 -7.326 -5.013 1.00 12.00 C ATOM 211 O ASN A 13 -14.994 -8.498 -4.686 1.00 12.00 O ATOM 212 CB ASN A 13 -12.415 -7.747 -5.421 1.00 12.00 C ATOM 213 CG ASN A 13 -12.246 -7.896 -6.934 1.00 12.00 C ATOM 214 OD1 ASN A 13 -13.115 -8.412 -7.606 1.00 12.00 O ATOM 215 ND2 ASN A 13 -11.156 -7.458 -7.502 1.00 12.00 N ATOM 0 H ASN A 13 -12.347 -6.303 -3.367 1.00 12.00 H new ATOM 0 HA ASN A 13 -13.497 -5.973 -5.973 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -11.467 -7.466 -4.962 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -12.713 -8.698 -4.980 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -11.034 -7.549 -8.511 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -10.426 -7.024 -6.937 1.00 12.00 H new ATOM 222 N THR A 14 -15.884 -6.557 -5.287 1.00 12.00 N ATOM 223 CA THR A 14 -17.284 -7.066 -5.219 1.00 12.00 C ATOM 224 C THR A 14 -17.976 -6.694 -6.554 1.00 12.00 C ATOM 225 O THR A 14 -18.517 -5.605 -6.667 1.00 12.00 O ATOM 226 CB THR A 14 -18.001 -6.400 -4.035 1.00 12.00 C ATOM 227 OG1 THR A 14 -17.796 -4.996 -4.091 1.00 12.00 O ATOM 228 CG2 THR A 14 -17.435 -6.945 -2.719 1.00 12.00 C ATOM 0 H THR A 14 -15.804 -5.578 -5.560 1.00 12.00 H new ATOM 0 HA THR A 14 -17.311 -8.146 -5.074 1.00 12.00 H new ATOM 0 HB THR A 14 -19.068 -6.617 -4.088 1.00 12.00 H new ATOM 0 HG1 THR A 14 -17.966 -4.677 -5.002 1.00 12.00 H new ATOM 0 HG21 THR A 14 -17.945 -6.471 -1.880 1.00 12.00 H new ATOM 0 HG22 THR A 14 -17.589 -8.023 -2.676 1.00 12.00 H new ATOM 0 HG23 THR A 14 -16.368 -6.728 -2.664 1.00 12.00 H new ATOM 236 N PRO A 15 -17.911 -7.580 -7.555 1.00 12.00 N ATOM 237 CA PRO A 15 -18.506 -7.299 -8.883 1.00 12.00 C ATOM 238 C PRO A 15 -20.039 -7.391 -8.860 1.00 12.00 C ATOM 239 O PRO A 15 -20.683 -7.115 -9.858 1.00 12.00 O ATOM 240 CB PRO A 15 -17.893 -8.365 -9.796 1.00 12.00 C ATOM 241 CG PRO A 15 -17.432 -9.517 -8.881 1.00 12.00 C ATOM 242 CD PRO A 15 -17.266 -8.922 -7.470 1.00 12.00 C ATOM 0 HA PRO A 15 -18.295 -6.284 -9.221 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -18.623 -8.717 -10.525 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -17.053 -7.957 -10.358 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -18.164 -10.325 -8.877 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -16.492 -9.940 -9.235 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -17.746 -9.546 -6.716 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -16.215 -8.841 -7.194 1.00 12.00 H new ATOM 250 N ILE A 16 -20.625 -7.754 -7.734 1.00 12.00 N ATOM 251 CA ILE A 16 -22.117 -7.846 -7.635 1.00 12.00 C ATOM 252 C ILE A 16 -22.733 -6.477 -7.972 1.00 12.00 C ATOM 253 O ILE A 16 -22.045 -5.584 -8.440 1.00 12.00 O ATOM 254 CB ILE A 16 -22.500 -8.256 -6.212 1.00 12.00 C ATOM 255 CG1 ILE A 16 -21.863 -7.281 -5.216 1.00 12.00 C ATOM 256 CG2 ILE A 16 -21.986 -9.670 -5.935 1.00 12.00 C ATOM 257 CD1 ILE A 16 -22.579 -7.372 -3.868 1.00 12.00 C ATOM 0 H ILE A 16 -20.125 -7.991 -6.877 1.00 12.00 H new ATOM 0 HA ILE A 16 -22.493 -8.590 -8.338 1.00 12.00 H new ATOM 0 HB ILE A 16 -23.584 -8.234 -6.105 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -20.805 -7.513 -5.092 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -21.923 -6.263 -5.601 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -22.258 -9.964 -4.921 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -22.432 -10.365 -6.646 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -20.901 -9.690 -6.040 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -22.121 -6.676 -3.165 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -23.631 -7.118 -3.997 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -22.496 -8.387 -3.480 1.00 12.00 H new ATOM 269 N ILE A 17 -24.021 -6.314 -7.745 1.00 12.00 N ATOM 270 CA ILE A 17 -24.693 -5.008 -8.059 1.00 12.00 C ATOM 271 C ILE A 17 -25.342 -4.436 -6.786 1.00 12.00 C ATOM 272 O ILE A 17 -26.446 -3.905 -6.814 1.00 12.00 O ATOM 273 CB ILE A 17 -25.742 -5.244 -9.159 1.00 12.00 C ATOM 274 CG1 ILE A 17 -26.389 -3.911 -9.551 1.00 12.00 C ATOM 275 CG2 ILE A 17 -26.822 -6.212 -8.661 1.00 12.00 C ATOM 276 CD1 ILE A 17 -26.649 -3.893 -11.058 1.00 12.00 C ATOM 0 H ILE A 17 -24.634 -7.030 -7.356 1.00 12.00 H new ATOM 0 HA ILE A 17 -23.962 -4.283 -8.417 1.00 12.00 H new ATOM 0 HB ILE A 17 -25.249 -5.679 -10.029 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -27.325 -3.775 -9.008 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -25.737 -3.083 -9.274 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -27.559 -6.371 -9.448 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -26.363 -7.164 -8.396 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -27.313 -5.789 -7.784 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -27.109 -2.945 -11.337 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -25.706 -4.009 -11.591 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -27.318 -4.712 -11.322 1.00 12.00 H new ATOM 288 N ASN A 18 -24.653 -4.549 -5.671 1.00 12.00 N ATOM 289 CA ASN A 18 -25.198 -4.028 -4.368 1.00 12.00 C ATOM 290 C ASN A 18 -24.065 -3.424 -3.523 1.00 12.00 C ATOM 291 O ASN A 18 -23.315 -4.144 -2.883 1.00 12.00 O ATOM 292 CB ASN A 18 -25.843 -5.185 -3.597 1.00 12.00 C ATOM 293 CG ASN A 18 -26.852 -5.912 -4.491 1.00 12.00 C ATOM 294 OD1 ASN A 18 -26.474 -6.584 -5.430 1.00 12.00 O ATOM 295 ND2 ASN A 18 -28.128 -5.807 -4.235 1.00 12.00 N ATOM 0 H ASN A 18 -23.732 -4.982 -5.606 1.00 12.00 H new ATOM 0 HA ASN A 18 -25.939 -3.255 -4.572 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -25.075 -5.881 -3.260 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -26.342 -4.805 -2.705 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -28.808 -6.289 -4.823 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -28.445 -5.243 -3.447 1.00 12.00 H new ATOM 302 N CYS A 19 -23.947 -2.108 -3.514 1.00 12.00 N ATOM 303 CA CYS A 19 -22.867 -1.438 -2.701 1.00 12.00 C ATOM 304 C CYS A 19 -23.287 -1.321 -1.222 1.00 12.00 C ATOM 305 O CYS A 19 -22.515 -0.841 -0.407 1.00 12.00 O ATOM 306 CB CYS A 19 -22.575 -0.027 -3.243 1.00 12.00 C ATOM 307 SG CYS A 19 -22.452 -0.066 -5.048 1.00 12.00 S ATOM 0 H CYS A 19 -24.551 -1.471 -4.033 1.00 12.00 H new ATOM 0 HA CYS A 19 -21.971 -2.053 -2.778 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -23.366 0.658 -2.940 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -21.646 0.350 -2.816 1.00 12.00 H new ATOM 312 N ASN A 20 -24.497 -1.734 -0.871 1.00 12.00 N ATOM 313 CA ASN A 20 -24.959 -1.621 0.562 1.00 12.00 C ATOM 314 C ASN A 20 -24.497 -2.819 1.403 1.00 12.00 C ATOM 315 O ASN A 20 -23.830 -2.638 2.409 1.00 12.00 O ATOM 316 CB ASN A 20 -26.494 -1.487 0.639 1.00 12.00 C ATOM 317 CG ASN A 20 -27.193 -2.445 -0.334 1.00 12.00 C ATOM 318 OD1 ASN A 20 -27.521 -3.561 0.020 1.00 12.00 O ATOM 319 ND2 ASN A 20 -27.453 -2.043 -1.549 1.00 12.00 N ATOM 0 H ASN A 20 -25.178 -2.141 -1.512 1.00 12.00 H new ATOM 0 HA ASN A 20 -24.504 -0.720 0.974 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -26.827 -1.693 1.656 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -26.782 -0.461 0.411 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -27.931 -2.665 -2.201 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -27.178 -1.107 -1.846 1.00 12.00 H new ATOM 326 N THR A 21 -24.861 -4.030 1.023 1.00 12.00 N ATOM 327 CA THR A 21 -24.463 -5.234 1.828 1.00 12.00 C ATOM 328 C THR A 21 -22.939 -5.418 1.798 1.00 12.00 C ATOM 329 O THR A 21 -22.377 -6.025 2.695 1.00 12.00 O ATOM 330 CB THR A 21 -25.166 -6.493 1.292 1.00 12.00 C ATOM 331 OG1 THR A 21 -26.568 -6.262 1.244 1.00 12.00 O ATOM 332 CG2 THR A 21 -24.876 -7.670 2.225 1.00 12.00 C ATOM 0 H THR A 21 -25.415 -4.233 0.191 1.00 12.00 H new ATOM 0 HA THR A 21 -24.772 -5.078 2.861 1.00 12.00 H new ATOM 0 HB THR A 21 -24.799 -6.722 0.292 1.00 12.00 H new ATOM 0 HG1 THR A 21 -26.750 -5.465 0.703 1.00 12.00 H new ATOM 0 HG21 THR A 21 -25.373 -8.564 1.848 1.00 12.00 H new ATOM 0 HG22 THR A 21 -23.801 -7.843 2.269 1.00 12.00 H new ATOM 0 HG23 THR A 21 -25.248 -7.442 3.224 1.00 12.00 H new ATOM 340 N ILE A 22 -22.269 -4.891 0.788 1.00 12.00 N ATOM 341 CA ILE A 22 -20.778 -5.021 0.711 1.00 12.00 C ATOM 342 C ILE A 22 -20.125 -3.914 1.551 1.00 12.00 C ATOM 343 O ILE A 22 -19.099 -4.129 2.178 1.00 12.00 O ATOM 344 CB ILE A 22 -20.320 -4.929 -0.749 1.00 12.00 C ATOM 345 CG1 ILE A 22 -20.685 -3.563 -1.339 1.00 12.00 C ATOM 346 CG2 ILE A 22 -21.011 -6.024 -1.562 1.00 12.00 C ATOM 347 CD1 ILE A 22 -19.519 -2.588 -1.155 1.00 12.00 C ATOM 0 H ILE A 22 -22.696 -4.378 0.017 1.00 12.00 H new ATOM 0 HA ILE A 22 -20.475 -5.991 1.107 1.00 12.00 H new ATOM 0 HB ILE A 22 -19.238 -5.055 -0.788 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -20.921 -3.666 -2.398 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -21.578 -3.173 -0.850 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -20.689 -5.963 -2.602 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -20.746 -7.000 -1.156 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -22.091 -5.890 -1.508 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -19.785 -1.619 -1.577 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -19.304 -2.475 -0.093 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -18.637 -2.975 -1.665 1.00 12.00 H new ATOM 359 N MET A 23 -20.724 -2.739 1.567 1.00 12.00 N ATOM 360 CA MET A 23 -20.173 -1.595 2.362 1.00 12.00 C ATOM 361 C MET A 23 -20.628 -1.699 3.828 1.00 12.00 C ATOM 362 O MET A 23 -20.196 -0.919 4.659 1.00 12.00 O ATOM 363 CB MET A 23 -20.679 -0.276 1.771 1.00 12.00 C ATOM 364 CG MET A 23 -19.853 0.892 2.324 1.00 12.00 C ATOM 365 SD MET A 23 -20.960 2.247 2.792 1.00 12.00 S ATOM 366 CE MET A 23 -21.766 2.449 1.185 1.00 12.00 C ATOM 0 H MET A 23 -21.581 -2.526 1.056 1.00 12.00 H new ATOM 0 HA MET A 23 -19.084 -1.628 2.322 1.00 12.00 H new ATOM 0 HB2 MET A 23 -20.606 -0.302 0.684 1.00 12.00 H new ATOM 0 HB3 MET A 23 -21.732 -0.137 2.016 1.00 12.00 H new ATOM 0 HG2 MET A 23 -19.275 0.565 3.189 1.00 12.00 H new ATOM 0 HG3 MET A 23 -19.139 1.234 1.574 1.00 12.00 H new ATOM 0 HE1 MET A 23 -22.051 3.492 1.049 1.00 12.00 H new ATOM 0 HE2 MET A 23 -21.077 2.155 0.393 1.00 12.00 H new ATOM 0 HE3 MET A 23 -22.656 1.822 1.143 1.00 12.00 H new ATOM 376 N ASP A 24 -21.487 -2.656 4.149 1.00 12.00 N ATOM 377 CA ASP A 24 -21.968 -2.819 5.563 1.00 12.00 C ATOM 378 C ASP A 24 -20.757 -3.082 6.474 1.00 12.00 C ATOM 379 O ASP A 24 -20.344 -4.218 6.659 1.00 12.00 O ATOM 380 CB ASP A 24 -22.947 -4.007 5.625 1.00 12.00 C ATOM 381 CG ASP A 24 -24.338 -3.619 5.078 1.00 12.00 C ATOM 382 OD1 ASP A 24 -24.559 -2.452 4.774 1.00 12.00 O ATOM 383 OD2 ASP A 24 -25.171 -4.506 4.982 1.00 12.00 O ATOM 0 H ASP A 24 -21.872 -3.329 3.486 1.00 12.00 H new ATOM 0 HA ASP A 24 -22.479 -1.916 5.897 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -22.547 -4.841 5.048 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -23.042 -4.349 6.656 1.00 12.00 H new ATOM 388 N ASN A 25 -20.179 -2.032 7.029 1.00 12.00 N ATOM 389 CA ASN A 25 -18.986 -2.190 7.919 1.00 12.00 C ATOM 390 C ASN A 25 -18.716 -0.875 8.644 1.00 12.00 C ATOM 391 O ASN A 25 -19.045 0.191 8.146 1.00 12.00 O ATOM 392 CB ASN A 25 -17.765 -2.557 7.070 1.00 12.00 C ATOM 393 CG ASN A 25 -16.556 -2.824 7.969 1.00 12.00 C ATOM 394 OD1 ASN A 25 -15.466 -2.370 7.684 1.00 12.00 O ATOM 395 ND2 ASN A 25 -16.697 -3.549 9.047 1.00 12.00 N ATOM 0 H ASN A 25 -20.490 -1.069 6.899 1.00 12.00 H new ATOM 0 HA ASN A 25 -19.178 -2.978 8.648 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -17.983 -3.440 6.470 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -17.539 -1.748 6.376 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -15.893 -3.733 9.647 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -17.611 -3.931 9.288 1.00 12.00 H new ATOM 402 N ASN A 26 -18.111 -0.949 9.809 1.00 12.00 N ATOM 403 CA ASN A 26 -17.792 0.297 10.588 1.00 12.00 C ATOM 404 C ASN A 26 -16.626 1.047 9.927 1.00 12.00 C ATOM 405 O ASN A 26 -16.310 2.157 10.324 1.00 12.00 O ATOM 406 CB ASN A 26 -17.400 -0.067 12.022 1.00 12.00 C ATOM 407 CG ASN A 26 -17.420 1.198 12.883 1.00 12.00 C ATOM 408 OD1 ASN A 26 -16.346 1.935 12.965 1.00 12.00 O flip ATOM 409 ND2 ASN A 26 -18.425 1.520 13.486 1.00 12.00 N flip ATOM 0 H ASN A 26 -17.823 -1.820 10.256 1.00 12.00 H new ATOM 0 HA ASN A 26 -18.677 0.934 10.601 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -18.092 -0.807 12.425 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -16.407 -0.517 12.038 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -19.265 0.944 13.422 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -18.429 2.366 14.056 1.00 12.00 H new ATOM 416 N ILE A 27 -15.985 0.456 8.928 1.00 12.00 N ATOM 417 CA ILE A 27 -14.838 1.136 8.244 1.00 12.00 C ATOM 418 C ILE A 27 -15.349 2.008 7.083 1.00 12.00 C ATOM 419 O ILE A 27 -14.560 2.492 6.288 1.00 12.00 O ATOM 420 CB ILE A 27 -13.875 0.078 7.695 1.00 12.00 C ATOM 421 CG1 ILE A 27 -13.469 -0.881 8.817 1.00 12.00 C ATOM 422 CG2 ILE A 27 -12.623 0.758 7.141 1.00 12.00 C ATOM 423 CD1 ILE A 27 -12.757 -2.094 8.212 1.00 12.00 C ATOM 0 H ILE A 27 -16.214 -0.469 8.563 1.00 12.00 H new ATOM 0 HA ILE A 27 -14.323 1.771 8.965 1.00 12.00 H new ATOM 0 HB ILE A 27 -14.372 -0.477 6.900 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -12.812 -0.375 9.524 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -14.350 -1.202 9.373 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -11.941 0.002 6.752 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -12.904 1.441 6.339 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -12.130 1.316 7.937 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -12.466 -2.780 9.008 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -13.429 -2.604 7.522 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -11.868 -1.764 7.675 1.00 12.00 H new ATOM 435 N TYR A 28 -16.654 2.208 6.979 1.00 12.00 N ATOM 436 CA TYR A 28 -17.212 3.048 5.861 1.00 12.00 C ATOM 437 C TYR A 28 -18.342 3.968 6.389 1.00 12.00 C ATOM 438 O TYR A 28 -19.468 3.918 5.911 1.00 12.00 O ATOM 439 CB TYR A 28 -17.749 2.117 4.756 1.00 12.00 C ATOM 440 CG TYR A 28 -16.585 1.507 4.020 1.00 12.00 C ATOM 441 CD1 TYR A 28 -15.704 2.328 3.304 1.00 12.00 C ATOM 442 CD2 TYR A 28 -16.378 0.124 4.061 1.00 12.00 C ATOM 443 CE1 TYR A 28 -14.619 1.766 2.630 1.00 12.00 C ATOM 444 CE2 TYR A 28 -15.287 -0.439 3.386 1.00 12.00 C ATOM 445 CZ TYR A 28 -14.407 0.382 2.669 1.00 12.00 C ATOM 446 OH TYR A 28 -13.333 -0.170 2.003 1.00 12.00 O ATOM 0 H TYR A 28 -17.350 1.826 7.619 1.00 12.00 H new ATOM 0 HA TYR A 28 -16.424 3.681 5.453 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -18.370 1.335 5.192 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -18.379 2.677 4.065 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -15.865 3.396 3.274 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -17.058 -0.509 4.612 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -13.941 2.400 2.077 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -15.124 -1.506 3.418 1.00 12.00 H new ATOM 0 HH TYR A 28 -12.500 0.207 2.356 1.00 12.00 H new ATOM 456 N ILE A 29 -18.053 4.814 7.372 1.00 12.00 N ATOM 457 CA ILE A 29 -19.107 5.734 7.923 1.00 12.00 C ATOM 458 C ILE A 29 -18.450 7.018 8.429 1.00 12.00 C ATOM 459 O ILE A 29 -17.346 6.992 8.950 1.00 12.00 O ATOM 460 CB ILE A 29 -19.839 5.056 9.091 1.00 12.00 C ATOM 461 CG1 ILE A 29 -20.387 3.691 8.643 1.00 12.00 C ATOM 462 CG2 ILE A 29 -21.000 5.954 9.546 1.00 12.00 C ATOM 463 CD1 ILE A 29 -21.081 2.988 9.817 1.00 12.00 C ATOM 0 H ILE A 29 -17.135 4.901 7.809 1.00 12.00 H new ATOM 0 HA ILE A 29 -19.820 5.966 7.132 1.00 12.00 H new ATOM 0 HB ILE A 29 -19.144 4.905 9.917 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -21.091 3.825 7.822 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -19.574 3.070 8.267 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -21.524 5.479 10.375 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -20.609 6.919 9.869 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -21.692 6.102 8.717 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -21.465 2.023 9.487 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -20.365 2.837 10.625 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -21.906 3.604 10.174 1.00 12.00 H new ATOM 475 N VAL A 30 -19.139 8.133 8.297 1.00 12.00 N ATOM 476 CA VAL A 30 -18.589 9.444 8.786 1.00 12.00 C ATOM 477 C VAL A 30 -19.374 9.848 10.060 1.00 12.00 C ATOM 478 O VAL A 30 -20.035 9.007 10.653 1.00 12.00 O ATOM 479 CB VAL A 30 -18.673 10.476 7.630 1.00 12.00 C ATOM 480 CG1 VAL A 30 -20.070 11.079 7.497 1.00 12.00 C ATOM 481 CG2 VAL A 30 -17.644 11.592 7.841 1.00 12.00 C ATOM 0 H VAL A 30 -20.063 8.191 7.869 1.00 12.00 H new ATOM 0 HA VAL A 30 -17.538 9.383 9.068 1.00 12.00 H new ATOM 0 HB VAL A 30 -18.453 9.943 6.705 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -20.080 11.795 6.675 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -20.791 10.286 7.297 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -20.337 11.586 8.424 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -17.713 12.310 7.023 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -17.844 12.098 8.786 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -16.642 11.163 7.864 1.00 12.00 H new ATOM 491 N GLY A 31 -19.277 11.084 10.516 1.00 12.00 N ATOM 492 CA GLY A 31 -19.981 11.489 11.783 1.00 12.00 C ATOM 493 C GLY A 31 -21.328 12.169 11.502 1.00 12.00 C ATOM 494 O GLY A 31 -21.495 13.346 11.778 1.00 12.00 O ATOM 0 H GLY A 31 -18.742 11.826 10.065 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -20.142 10.609 12.405 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -19.344 12.168 12.350 1.00 12.00 H new ATOM 498 N GLY A 32 -22.292 11.428 10.990 1.00 12.00 N ATOM 499 CA GLY A 32 -23.647 12.009 10.722 1.00 12.00 C ATOM 500 C GLY A 32 -24.633 10.874 10.424 1.00 12.00 C ATOM 501 O GLY A 32 -25.589 10.655 11.148 1.00 12.00 O ATOM 0 H GLY A 32 -22.193 10.442 10.747 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -23.986 12.584 11.584 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -23.600 12.697 9.878 1.00 12.00 H new ATOM 505 N GLN A 33 -24.385 10.165 9.349 1.00 12.00 N ATOM 506 CA GLN A 33 -25.260 9.025 8.925 1.00 12.00 C ATOM 507 C GLN A 33 -24.482 8.200 7.894 1.00 12.00 C ATOM 508 O GLN A 33 -24.132 7.056 8.131 1.00 12.00 O ATOM 509 CB GLN A 33 -26.539 9.585 8.298 1.00 12.00 C ATOM 510 CG GLN A 33 -27.474 8.438 7.911 1.00 12.00 C ATOM 511 CD GLN A 33 -28.920 8.932 7.949 1.00 12.00 C ATOM 512 OE1 GLN A 33 -29.487 9.271 6.929 1.00 12.00 O ATOM 513 NE2 GLN A 33 -29.545 8.994 9.094 1.00 12.00 N ATOM 0 H GLN A 33 -23.591 10.334 8.731 1.00 12.00 H new ATOM 0 HA GLN A 33 -25.532 8.399 9.775 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -27.038 10.251 9.002 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -26.293 10.178 7.417 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -27.228 8.073 6.914 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -27.345 7.601 8.597 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -29.070 8.710 9.951 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -30.508 9.327 9.132 1.00 12.00 H new ATOM 522 N CYS A 34 -24.192 8.810 6.764 1.00 12.00 N ATOM 523 CA CYS A 34 -23.409 8.141 5.678 1.00 12.00 C ATOM 524 C CYS A 34 -23.142 9.177 4.582 1.00 12.00 C ATOM 525 O CYS A 34 -24.058 9.822 4.099 1.00 12.00 O ATOM 526 CB CYS A 34 -24.187 6.943 5.113 1.00 12.00 C ATOM 527 SG CYS A 34 -25.767 7.488 4.411 1.00 12.00 S ATOM 0 H CYS A 34 -24.474 9.766 6.548 1.00 12.00 H new ATOM 0 HA CYS A 34 -22.466 7.762 6.072 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -23.594 6.445 4.346 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -24.365 6.212 5.902 1.00 12.00 H new ATOM 532 N LYS A 35 -21.889 9.357 4.211 1.00 12.00 N ATOM 533 CA LYS A 35 -21.530 10.374 3.163 1.00 12.00 C ATOM 534 C LYS A 35 -22.311 10.095 1.875 1.00 12.00 C ATOM 535 O LYS A 35 -23.120 9.183 1.818 1.00 12.00 O ATOM 536 CB LYS A 35 -20.022 10.322 2.883 1.00 12.00 C ATOM 537 CG LYS A 35 -19.476 11.752 2.772 1.00 12.00 C ATOM 538 CD LYS A 35 -17.973 11.759 3.050 1.00 12.00 C ATOM 539 CE LYS A 35 -17.391 13.126 2.671 1.00 12.00 C ATOM 540 NZ LYS A 35 -15.899 13.057 2.672 1.00 12.00 N ATOM 0 H LYS A 35 -21.097 8.840 4.592 1.00 12.00 H new ATOM 0 HA LYS A 35 -21.791 11.368 3.527 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -19.510 9.786 3.683 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -19.831 9.775 1.960 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -19.672 12.149 1.776 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -19.989 12.402 3.481 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -17.786 11.551 4.104 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -17.483 10.971 2.478 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -17.750 13.424 1.686 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -17.730 13.884 3.377 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -15.508 13.986 2.415 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -15.564 12.791 3.620 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -15.584 12.346 1.982 1.00 12.00 H new ATOM 554 N ARG A 36 -22.075 10.890 0.852 1.00 12.00 N ATOM 555 CA ARG A 36 -22.806 10.712 -0.448 1.00 12.00 C ATOM 556 C ARG A 36 -21.877 10.100 -1.508 1.00 12.00 C ATOM 557 O ARG A 36 -22.126 10.233 -2.698 1.00 12.00 O ATOM 558 CB ARG A 36 -23.289 12.081 -0.938 1.00 12.00 C ATOM 559 CG ARG A 36 -24.557 12.489 -0.190 1.00 12.00 C ATOM 560 CD ARG A 36 -24.922 13.923 -0.577 1.00 12.00 C ATOM 561 NE ARG A 36 -23.914 14.863 -0.013 1.00 12.00 N ATOM 562 CZ ARG A 36 -23.996 15.236 1.235 1.00 12.00 C ATOM 563 NH1 ARG A 36 -23.440 14.518 2.174 1.00 12.00 N ATOM 564 NH2 ARG A 36 -24.640 16.326 1.545 1.00 12.00 N ATOM 0 H ARG A 36 -21.404 11.658 0.863 1.00 12.00 H new ATOM 0 HA ARG A 36 -23.652 10.043 -0.291 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -22.510 12.827 -0.783 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -23.486 12.044 -2.009 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -25.375 11.812 -0.438 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -24.399 12.418 0.886 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -24.958 14.020 -1.662 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -25.915 14.170 -0.202 1.00 12.00 H new ATOM 0 HE ARG A 36 -23.159 15.215 -0.602 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -22.940 13.663 1.933 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -23.506 14.813 3.148 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -25.078 16.885 0.813 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -24.706 16.620 2.520 1.00 12.00 H new ATOM 578 N VAL A 37 -20.813 9.438 -1.094 1.00 12.00 N ATOM 579 CA VAL A 37 -19.870 8.826 -2.091 1.00 12.00 C ATOM 580 C VAL A 37 -18.967 7.790 -1.415 1.00 12.00 C ATOM 581 O VAL A 37 -18.376 8.044 -0.378 1.00 12.00 O ATOM 582 CB VAL A 37 -19.021 9.942 -2.730 1.00 12.00 C ATOM 583 CG1 VAL A 37 -18.098 10.585 -1.685 1.00 12.00 C ATOM 584 CG2 VAL A 37 -18.176 9.352 -3.861 1.00 12.00 C ATOM 0 H VAL A 37 -20.560 9.297 -0.116 1.00 12.00 H new ATOM 0 HA VAL A 37 -20.445 8.316 -2.864 1.00 12.00 H new ATOM 0 HB VAL A 37 -19.689 10.708 -3.125 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -17.507 11.370 -2.156 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -18.699 11.014 -0.884 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -17.432 9.827 -1.273 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -17.574 10.140 -4.315 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -17.520 8.580 -3.460 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -18.831 8.916 -4.615 1.00 12.00 H new ATOM 594 N ASN A 38 -18.844 6.641 -2.034 1.00 12.00 N ATOM 595 CA ASN A 38 -17.966 5.554 -1.509 1.00 12.00 C ATOM 596 C ASN A 38 -17.193 4.992 -2.700 1.00 12.00 C ATOM 597 O ASN A 38 -17.721 4.216 -3.483 1.00 12.00 O ATOM 598 CB ASN A 38 -18.812 4.455 -0.849 1.00 12.00 C ATOM 599 CG ASN A 38 -18.130 3.996 0.441 1.00 12.00 C ATOM 600 OD1 ASN A 38 -17.007 3.535 0.418 1.00 12.00 O ATOM 601 ND2 ASN A 38 -18.764 4.112 1.577 1.00 12.00 N ATOM 0 H ASN A 38 -19.328 6.408 -2.901 1.00 12.00 H new ATOM 0 HA ASN A 38 -17.283 5.938 -0.751 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -19.811 4.831 -0.631 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -18.930 3.613 -1.531 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -18.316 3.815 2.444 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -19.707 4.499 1.597 1.00 12.00 H new ATOM 608 N THR A 39 -15.965 5.428 -2.861 1.00 12.00 N ATOM 609 CA THR A 39 -15.139 4.989 -4.025 1.00 12.00 C ATOM 610 C THR A 39 -14.389 3.692 -3.723 1.00 12.00 C ATOM 611 O THR A 39 -13.445 3.671 -2.950 1.00 12.00 O ATOM 612 CB THR A 39 -14.128 6.086 -4.369 1.00 12.00 C ATOM 613 OG1 THR A 39 -14.768 7.354 -4.308 1.00 12.00 O ATOM 614 CG2 THR A 39 -13.580 5.857 -5.779 1.00 12.00 C ATOM 0 H THR A 39 -15.498 6.076 -2.227 1.00 12.00 H new ATOM 0 HA THR A 39 -15.808 4.808 -4.866 1.00 12.00 H new ATOM 0 HB THR A 39 -13.306 6.058 -3.654 1.00 12.00 H new ATOM 0 HG1 THR A 39 -14.122 8.058 -4.526 1.00 12.00 H new ATOM 0 HG21 THR A 39 -12.861 6.639 -6.021 1.00 12.00 H new ATOM 0 HG22 THR A 39 -13.089 4.885 -5.825 1.00 12.00 H new ATOM 0 HG23 THR A 39 -14.400 5.883 -6.497 1.00 12.00 H new ATOM 622 N PHE A 40 -14.788 2.627 -4.377 1.00 12.00 N ATOM 623 CA PHE A 40 -14.109 1.300 -4.216 1.00 12.00 C ATOM 624 C PHE A 40 -13.132 1.139 -5.394 1.00 12.00 C ATOM 625 O PHE A 40 -13.247 1.856 -6.376 1.00 12.00 O ATOM 626 CB PHE A 40 -15.174 0.192 -4.252 1.00 12.00 C ATOM 627 CG PHE A 40 -16.268 0.490 -3.247 1.00 12.00 C ATOM 628 CD1 PHE A 40 -15.940 0.834 -1.927 1.00 12.00 C ATOM 629 CD2 PHE A 40 -17.611 0.415 -3.636 1.00 12.00 C ATOM 630 CE1 PHE A 40 -16.953 1.100 -1.000 1.00 12.00 C ATOM 631 CE2 PHE A 40 -18.625 0.684 -2.707 1.00 12.00 C ATOM 632 CZ PHE A 40 -18.295 1.026 -1.390 1.00 12.00 C ATOM 0 H PHE A 40 -15.572 2.621 -5.029 1.00 12.00 H new ATOM 0 HA PHE A 40 -13.570 1.237 -3.271 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -15.599 0.118 -5.253 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -14.716 -0.771 -4.028 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -14.904 0.893 -1.626 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -17.865 0.150 -4.652 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -16.700 1.362 0.017 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -19.661 0.628 -3.007 1.00 12.00 H new ATOM 0 HZ PHE A 40 -19.077 1.233 -0.674 1.00 12.00 H new ATOM 642 N ILE A 41 -12.163 0.240 -5.311 1.00 12.00 N ATOM 643 CA ILE A 41 -11.188 0.080 -6.445 1.00 12.00 C ATOM 644 C ILE A 41 -11.024 -1.405 -6.781 1.00 12.00 C ATOM 645 O ILE A 41 -10.761 -2.222 -5.915 1.00 12.00 O ATOM 646 CB ILE A 41 -9.842 0.700 -6.044 1.00 12.00 C ATOM 647 CG1 ILE A 41 -10.047 2.195 -5.767 1.00 12.00 C ATOM 648 CG2 ILE A 41 -8.827 0.538 -7.183 1.00 12.00 C ATOM 649 CD1 ILE A 41 -10.598 2.401 -4.350 1.00 12.00 C ATOM 0 H ILE A 41 -12.010 -0.380 -4.516 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.562 0.592 -7.332 1.00 12.00 H new ATOM 0 HB ILE A 41 -9.465 0.197 -5.154 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -9.101 2.726 -5.878 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -10.737 2.616 -6.498 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -7.876 0.981 -6.888 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -8.684 -0.522 -7.395 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -9.200 1.039 -8.076 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -10.739 3.466 -4.166 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -11.554 1.886 -4.253 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -9.893 1.997 -3.623 1.00 12.00 H new ATOM 661 N ILE A 42 -11.186 -1.743 -8.045 1.00 12.00 N ATOM 662 CA ILE A 42 -11.051 -3.174 -8.489 1.00 12.00 C ATOM 663 C ILE A 42 -9.627 -3.401 -8.978 1.00 12.00 C ATOM 664 O ILE A 42 -9.254 -2.927 -10.039 1.00 12.00 O ATOM 665 CB ILE A 42 -12.015 -3.498 -9.645 1.00 12.00 C ATOM 666 CG1 ILE A 42 -13.381 -2.835 -9.428 1.00 12.00 C ATOM 667 CG2 ILE A 42 -12.204 -5.012 -9.721 1.00 12.00 C ATOM 668 CD1 ILE A 42 -14.087 -2.677 -10.777 1.00 12.00 C ATOM 0 H ILE A 42 -11.407 -1.084 -8.792 1.00 12.00 H new ATOM 0 HA ILE A 42 -11.290 -3.818 -7.643 1.00 12.00 H new ATOM 0 HB ILE A 42 -11.588 -3.115 -10.572 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -13.989 -3.440 -8.755 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -13.254 -1.861 -8.955 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -12.885 -5.253 -10.537 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -11.241 -5.490 -9.899 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -12.621 -5.374 -8.781 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -15.058 -2.206 -10.626 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -13.480 -2.055 -11.435 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -14.226 -3.658 -11.232 1.00 12.00 H new ATOM 680 N SER A 43 -8.836 -4.121 -8.212 1.00 12.00 N ATOM 681 CA SER A 43 -7.416 -4.394 -8.614 1.00 12.00 C ATOM 682 C SER A 43 -6.716 -5.188 -7.515 1.00 12.00 C ATOM 683 O SER A 43 -7.007 -5.016 -6.341 1.00 12.00 O ATOM 684 CB SER A 43 -6.674 -3.069 -8.814 1.00 12.00 C ATOM 685 OG SER A 43 -5.326 -3.335 -9.179 1.00 12.00 O ATOM 0 H SER A 43 -9.115 -4.533 -7.322 1.00 12.00 H new ATOM 0 HA SER A 43 -7.413 -4.964 -9.543 1.00 12.00 H new ATOM 0 HB2 SER A 43 -7.163 -2.479 -9.589 1.00 12.00 H new ATOM 0 HB3 SER A 43 -6.705 -2.480 -7.897 1.00 12.00 H new ATOM 0 HG SER A 43 -5.186 -3.087 -10.117 1.00 12.00 H new ATOM 691 N SER A 44 -5.782 -6.037 -7.890 1.00 12.00 N ATOM 692 CA SER A 44 -5.026 -6.840 -6.877 1.00 12.00 C ATOM 693 C SER A 44 -4.220 -5.870 -6.008 1.00 12.00 C ATOM 694 O SER A 44 -3.531 -5.002 -6.513 1.00 12.00 O ATOM 695 CB SER A 44 -4.089 -7.827 -7.587 1.00 12.00 C ATOM 696 OG SER A 44 -3.457 -7.174 -8.681 1.00 12.00 O ATOM 0 H SER A 44 -5.512 -6.206 -8.859 1.00 12.00 H new ATOM 0 HA SER A 44 -5.714 -7.413 -6.255 1.00 12.00 H new ATOM 0 HB2 SER A 44 -3.339 -8.200 -6.889 1.00 12.00 H new ATOM 0 HB3 SER A 44 -4.653 -8.690 -7.941 1.00 12.00 H new ATOM 0 HG SER A 44 -3.239 -6.252 -8.430 1.00 12.00 H new ATOM 702 N ALA A 45 -4.332 -5.997 -4.703 1.00 12.00 N ATOM 703 CA ALA A 45 -3.614 -5.079 -3.758 1.00 12.00 C ATOM 704 C ALA A 45 -2.131 -4.936 -4.127 1.00 12.00 C ATOM 705 O ALA A 45 -1.529 -3.905 -3.872 1.00 12.00 O ATOM 706 CB ALA A 45 -3.718 -5.645 -2.342 1.00 12.00 C ATOM 0 H ALA A 45 -4.901 -6.711 -4.247 1.00 12.00 H new ATOM 0 HA ALA A 45 -4.079 -4.095 -3.820 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -3.199 -4.985 -1.647 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -4.767 -5.720 -2.056 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -3.262 -6.635 -2.311 1.00 12.00 H new ATOM 712 N THR A 46 -1.539 -5.966 -4.695 1.00 12.00 N ATOM 713 CA THR A 46 -0.083 -5.908 -5.050 1.00 12.00 C ATOM 714 C THR A 46 0.158 -5.123 -6.351 1.00 12.00 C ATOM 715 O THR A 46 1.164 -4.441 -6.463 1.00 12.00 O ATOM 716 CB THR A 46 0.482 -7.324 -5.156 1.00 12.00 C ATOM 717 OG1 THR A 46 1.853 -7.255 -5.522 1.00 12.00 O ATOM 718 CG2 THR A 46 -0.284 -8.139 -6.204 1.00 12.00 C ATOM 0 H THR A 46 -2.004 -6.844 -4.927 1.00 12.00 H new ATOM 0 HA THR A 46 0.438 -5.375 -4.255 1.00 12.00 H new ATOM 0 HB THR A 46 0.376 -7.816 -4.189 1.00 12.00 H new ATOM 0 HG1 THR A 46 2.220 -8.161 -5.590 1.00 12.00 H new ATOM 0 HG21 THR A 46 0.136 -9.143 -6.262 1.00 12.00 H new ATOM 0 HG22 THR A 46 -1.335 -8.201 -5.920 1.00 12.00 H new ATOM 0 HG23 THR A 46 -0.199 -7.653 -7.176 1.00 12.00 H new ATOM 726 N THR A 47 -0.747 -5.181 -7.320 1.00 12.00 N ATOM 727 CA THR A 47 -0.546 -4.398 -8.590 1.00 12.00 C ATOM 728 C THR A 47 -0.524 -2.922 -8.213 1.00 12.00 C ATOM 729 O THR A 47 0.277 -2.148 -8.718 1.00 12.00 O ATOM 730 CB THR A 47 -1.684 -4.653 -9.585 1.00 12.00 C ATOM 731 OG1 THR A 47 -2.913 -4.769 -8.888 1.00 12.00 O ATOM 732 CG2 THR A 47 -1.411 -5.937 -10.369 1.00 12.00 C ATOM 0 H THR A 47 -1.605 -5.732 -7.282 1.00 12.00 H new ATOM 0 HA THR A 47 0.385 -4.703 -9.068 1.00 12.00 H new ATOM 0 HB THR A 47 -1.744 -3.816 -10.281 1.00 12.00 H new ATOM 0 HG1 THR A 47 -2.807 -4.422 -7.978 1.00 12.00 H new ATOM 0 HG21 THR A 47 -2.223 -6.112 -11.074 1.00 12.00 H new ATOM 0 HG22 THR A 47 -0.472 -5.838 -10.914 1.00 12.00 H new ATOM 0 HG23 THR A 47 -1.342 -6.777 -9.678 1.00 12.00 H new ATOM 740 N VAL A 48 -1.388 -2.551 -7.293 1.00 12.00 N ATOM 741 CA VAL A 48 -1.437 -1.143 -6.808 1.00 12.00 C ATOM 742 C VAL A 48 -0.162 -0.882 -6.004 1.00 12.00 C ATOM 743 O VAL A 48 0.405 0.199 -6.045 1.00 12.00 O ATOM 744 CB VAL A 48 -2.663 -0.943 -5.909 1.00 12.00 C ATOM 745 CG1 VAL A 48 -2.783 0.534 -5.529 1.00 12.00 C ATOM 746 CG2 VAL A 48 -3.925 -1.380 -6.660 1.00 12.00 C ATOM 0 H VAL A 48 -2.066 -3.176 -6.857 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.509 -0.454 -7.650 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.551 -1.543 -5.006 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.655 0.676 -4.890 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -1.886 0.846 -4.994 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -2.894 1.134 -6.432 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -4.796 -1.238 -6.021 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -4.036 -0.781 -7.564 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -3.841 -2.433 -6.930 1.00 12.00 H new ATOM 756 N LYS A 49 0.297 -1.889 -5.286 1.00 12.00 N ATOM 757 CA LYS A 49 1.547 -1.756 -4.476 1.00 12.00 C ATOM 758 C LYS A 49 2.730 -1.479 -5.415 1.00 12.00 C ATOM 759 O LYS A 49 3.743 -0.943 -4.993 1.00 12.00 O ATOM 760 CB LYS A 49 1.797 -3.059 -3.701 1.00 12.00 C ATOM 761 CG LYS A 49 3.044 -2.910 -2.818 1.00 12.00 C ATOM 762 CD LYS A 49 4.245 -3.570 -3.505 1.00 12.00 C ATOM 763 CE LYS A 49 5.534 -3.189 -2.765 1.00 12.00 C ATOM 764 NZ LYS A 49 5.903 -4.261 -1.790 1.00 12.00 N ATOM 0 H LYS A 49 -0.150 -2.804 -5.230 1.00 12.00 H new ATOM 0 HA LYS A 49 1.441 -0.932 -3.770 1.00 12.00 H new ATOM 0 HB2 LYS A 49 0.930 -3.298 -3.084 1.00 12.00 H new ATOM 0 HB3 LYS A 49 1.930 -3.887 -4.397 1.00 12.00 H new ATOM 0 HG2 LYS A 49 3.250 -1.855 -2.638 1.00 12.00 H new ATOM 0 HG3 LYS A 49 2.870 -3.371 -1.846 1.00 12.00 H new ATOM 0 HD2 LYS A 49 4.124 -4.653 -3.511 1.00 12.00 H new ATOM 0 HD3 LYS A 49 4.303 -3.250 -4.545 1.00 12.00 H new ATOM 0 HE2 LYS A 49 6.343 -3.043 -3.480 1.00 12.00 H new ATOM 0 HE3 LYS A 49 5.396 -2.243 -2.242 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 6.777 -3.993 -1.294 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 5.135 -4.381 -1.099 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 6.053 -5.156 -2.298 1.00 12.00 H new ATOM 778 N ALA A 50 2.606 -1.845 -6.682 1.00 12.00 N ATOM 779 CA ALA A 50 3.712 -1.617 -7.661 1.00 12.00 C ATOM 780 C ALA A 50 3.683 -0.163 -8.153 1.00 12.00 C ATOM 781 O ALA A 50 4.727 0.439 -8.346 1.00 12.00 O ATOM 782 CB ALA A 50 3.557 -2.584 -8.845 1.00 12.00 C ATOM 0 H ALA A 50 1.777 -2.294 -7.072 1.00 12.00 H new ATOM 0 HA ALA A 50 4.670 -1.801 -7.175 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.364 -2.417 -9.559 1.00 12.00 H new ATOM 0 HB2 ALA A 50 3.599 -3.611 -8.483 1.00 12.00 H new ATOM 0 HB3 ALA A 50 2.598 -2.410 -9.334 1.00 12.00 H new ATOM 788 N ILE A 51 2.503 0.404 -8.358 1.00 12.00 N ATOM 789 CA ILE A 51 2.412 1.824 -8.838 1.00 12.00 C ATOM 790 C ILE A 51 2.957 2.784 -7.763 1.00 12.00 C ATOM 791 O ILE A 51 3.355 3.896 -8.071 1.00 12.00 O ATOM 792 CB ILE A 51 0.950 2.171 -9.177 1.00 12.00 C ATOM 793 CG1 ILE A 51 0.896 3.570 -9.798 1.00 12.00 C ATOM 794 CG2 ILE A 51 0.071 2.140 -7.918 1.00 12.00 C ATOM 795 CD1 ILE A 51 1.481 3.528 -11.209 1.00 12.00 C ATOM 0 H ILE A 51 1.606 -0.059 -8.212 1.00 12.00 H new ATOM 0 HA ILE A 51 3.016 1.934 -9.739 1.00 12.00 H new ATOM 0 HB ILE A 51 0.571 1.430 -9.881 1.00 12.00 H new ATOM 0 HG12 ILE A 51 -0.134 3.925 -9.831 1.00 12.00 H new ATOM 0 HG13 ILE A 51 1.456 4.274 -9.182 1.00 12.00 H new ATOM 0 HG21 ILE A 51 -0.956 2.389 -8.185 1.00 12.00 H new ATOM 0 HG22 ILE A 51 0.100 1.143 -7.478 1.00 12.00 H new ATOM 0 HG23 ILE A 51 0.444 2.866 -7.196 1.00 12.00 H new ATOM 0 HD11 ILE A 51 1.442 4.524 -11.649 1.00 12.00 H new ATOM 0 HD12 ILE A 51 2.517 3.192 -11.164 1.00 12.00 H new ATOM 0 HD13 ILE A 51 0.902 2.837 -11.822 1.00 12.00 H new ATOM 807 N CYS A 52 2.970 2.360 -6.510 1.00 12.00 N ATOM 808 CA CYS A 52 3.478 3.235 -5.405 1.00 12.00 C ATOM 809 C CYS A 52 4.890 2.789 -4.990 1.00 12.00 C ATOM 810 O CYS A 52 5.312 3.008 -3.863 1.00 12.00 O ATOM 811 CB CYS A 52 2.520 3.141 -4.206 1.00 12.00 C ATOM 812 SG CYS A 52 2.128 4.804 -3.602 1.00 12.00 S ATOM 0 H CYS A 52 2.647 1.440 -6.211 1.00 12.00 H new ATOM 0 HA CYS A 52 3.527 4.268 -5.750 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.605 2.626 -4.499 1.00 12.00 H new ATOM 0 HB3 CYS A 52 2.976 2.553 -3.410 1.00 12.00 H new ATOM 817 N THR A 53 5.625 2.177 -5.900 1.00 12.00 N ATOM 818 CA THR A 53 7.021 1.722 -5.584 1.00 12.00 C ATOM 819 C THR A 53 7.992 2.866 -5.876 1.00 12.00 C ATOM 820 O THR A 53 8.187 3.231 -7.024 1.00 12.00 O ATOM 821 CB THR A 53 7.394 0.517 -6.454 1.00 12.00 C ATOM 822 OG1 THR A 53 6.384 -0.476 -6.346 1.00 12.00 O ATOM 823 CG2 THR A 53 8.733 -0.058 -5.981 1.00 12.00 C ATOM 0 H THR A 53 5.314 1.974 -6.850 1.00 12.00 H new ATOM 0 HA THR A 53 7.076 1.435 -4.534 1.00 12.00 H new ATOM 0 HB THR A 53 7.482 0.831 -7.494 1.00 12.00 H new ATOM 0 HG1 THR A 53 6.746 -1.343 -6.624 1.00 12.00 H new ATOM 0 HG21 THR A 53 8.999 -0.915 -6.599 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.507 0.705 -6.066 1.00 12.00 H new ATOM 0 HG23 THR A 53 8.647 -0.373 -4.941 1.00 12.00 H new ATOM 831 N GLY A 54 8.593 3.433 -4.847 1.00 12.00 N ATOM 832 CA GLY A 54 9.555 4.564 -5.054 1.00 12.00 C ATOM 833 C GLY A 54 10.450 4.746 -3.820 1.00 12.00 C ATOM 834 O GLY A 54 11.662 4.651 -3.918 1.00 12.00 O ATOM 0 H GLY A 54 8.456 3.158 -3.874 1.00 12.00 H new ATOM 0 HA2 GLY A 54 10.172 4.368 -5.931 1.00 12.00 H new ATOM 0 HA3 GLY A 54 9.005 5.485 -5.250 1.00 12.00 H new ATOM 838 N VAL A 55 9.863 5.027 -2.670 1.00 12.00 N ATOM 839 CA VAL A 55 10.668 5.241 -1.424 1.00 12.00 C ATOM 840 C VAL A 55 9.726 5.145 -0.194 1.00 12.00 C ATOM 841 O VAL A 55 8.588 4.728 -0.332 1.00 12.00 O ATOM 842 CB VAL A 55 11.373 6.616 -1.555 1.00 12.00 C ATOM 843 CG1 VAL A 55 10.425 7.778 -1.227 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.599 6.669 -0.636 1.00 12.00 C ATOM 0 H VAL A 55 8.854 5.116 -2.547 1.00 12.00 H new ATOM 0 HA VAL A 55 11.437 4.481 -1.286 1.00 12.00 H new ATOM 0 HB VAL A 55 11.688 6.726 -2.593 1.00 12.00 H new ATOM 0 HG11 VAL A 55 10.958 8.723 -1.331 1.00 12.00 H new ATOM 0 HG12 VAL A 55 9.578 7.762 -1.913 1.00 12.00 H new ATOM 0 HG13 VAL A 55 10.064 7.676 -0.204 1.00 12.00 H new ATOM 0 HG21 VAL A 55 13.087 7.639 -0.736 1.00 12.00 H new ATOM 0 HG22 VAL A 55 12.285 6.525 0.398 1.00 12.00 H new ATOM 0 HG23 VAL A 55 13.298 5.881 -0.916 1.00 12.00 H new ATOM 854 N ILE A 56 10.186 5.506 1.002 1.00 12.00 N ATOM 855 CA ILE A 56 9.311 5.412 2.231 1.00 12.00 C ATOM 856 C ILE A 56 8.471 6.699 2.420 1.00 12.00 C ATOM 857 O ILE A 56 8.065 7.026 3.524 1.00 12.00 O ATOM 858 CB ILE A 56 10.205 5.198 3.459 1.00 12.00 C ATOM 859 CG1 ILE A 56 11.233 6.330 3.543 1.00 12.00 C ATOM 860 CG2 ILE A 56 10.933 3.859 3.340 1.00 12.00 C ATOM 861 CD1 ILE A 56 11.757 6.443 4.977 1.00 12.00 C ATOM 0 H ILE A 56 11.127 5.860 1.174 1.00 12.00 H new ATOM 0 HA ILE A 56 8.623 4.575 2.109 1.00 12.00 H new ATOM 0 HB ILE A 56 9.589 5.195 4.358 1.00 12.00 H new ATOM 0 HG12 ILE A 56 12.058 6.137 2.858 1.00 12.00 H new ATOM 0 HG13 ILE A 56 10.778 7.272 3.236 1.00 12.00 H new ATOM 0 HG21 ILE A 56 11.567 3.711 4.214 1.00 12.00 H new ATOM 0 HG22 ILE A 56 10.203 3.052 3.280 1.00 12.00 H new ATOM 0 HG23 ILE A 56 11.549 3.858 2.441 1.00 12.00 H new ATOM 0 HD11 ILE A 56 12.488 7.249 5.035 1.00 12.00 H new ATOM 0 HD12 ILE A 56 10.928 6.656 5.652 1.00 12.00 H new ATOM 0 HD13 ILE A 56 12.228 5.504 5.267 1.00 12.00 H new ATOM 873 N ASN A 57 8.208 7.409 1.345 1.00 12.00 N ATOM 874 CA ASN A 57 7.400 8.681 1.387 1.00 12.00 C ATOM 875 C ASN A 57 7.431 9.273 -0.023 1.00 12.00 C ATOM 876 O ASN A 57 8.488 9.659 -0.501 1.00 12.00 O ATOM 877 CB ASN A 57 8.044 9.679 2.346 1.00 12.00 C ATOM 878 CG ASN A 57 7.004 10.710 2.792 1.00 12.00 C ATOM 879 OD1 ASN A 57 6.146 10.414 3.600 1.00 12.00 O ATOM 880 ND2 ASN A 57 7.047 11.918 2.298 1.00 12.00 N ATOM 0 H ASN A 57 8.529 7.154 0.411 1.00 12.00 H new ATOM 0 HA ASN A 57 6.383 8.476 1.721 1.00 12.00 H new ATOM 0 HB2 ASN A 57 8.447 9.156 3.213 1.00 12.00 H new ATOM 0 HB3 ASN A 57 8.880 10.179 1.858 1.00 12.00 H new ATOM 0 HD21 ASN A 57 6.360 12.613 2.590 1.00 12.00 H new ATOM 0 HD22 ASN A 57 7.767 12.166 1.620 1.00 12.00 H new ATOM 887 N MET A 58 6.302 9.318 -0.704 1.00 12.00 N ATOM 888 CA MET A 58 6.293 9.854 -2.108 1.00 12.00 C ATOM 889 C MET A 58 4.882 10.254 -2.554 1.00 12.00 C ATOM 890 O MET A 58 3.901 10.011 -1.876 1.00 12.00 O ATOM 891 CB MET A 58 6.809 8.755 -3.045 1.00 12.00 C ATOM 892 CG MET A 58 7.513 9.385 -4.246 1.00 12.00 C ATOM 893 SD MET A 58 8.746 8.235 -4.901 1.00 12.00 S ATOM 894 CE MET A 58 9.089 9.131 -6.436 1.00 12.00 C ATOM 0 H MET A 58 5.396 9.010 -0.351 1.00 12.00 H new ATOM 0 HA MET A 58 6.925 10.742 -2.143 1.00 12.00 H new ATOM 0 HB2 MET A 58 7.498 8.102 -2.509 1.00 12.00 H new ATOM 0 HB3 MET A 58 5.979 8.134 -3.383 1.00 12.00 H new ATOM 0 HG2 MET A 58 6.785 9.632 -5.019 1.00 12.00 H new ATOM 0 HG3 MET A 58 7.993 10.318 -3.951 1.00 12.00 H new ATOM 0 HE1 MET A 58 9.840 8.591 -7.013 1.00 12.00 H new ATOM 0 HE2 MET A 58 8.173 9.215 -7.021 1.00 12.00 H new ATOM 0 HE3 MET A 58 9.461 10.128 -6.200 1.00 12.00 H new ATOM 904 N ASN A 59 4.804 10.836 -3.729 1.00 12.00 N ATOM 905 CA ASN A 59 3.502 11.248 -4.338 1.00 12.00 C ATOM 906 C ASN A 59 3.518 10.745 -5.790 1.00 12.00 C ATOM 907 O ASN A 59 4.296 11.229 -6.595 1.00 12.00 O ATOM 908 CB ASN A 59 3.391 12.776 -4.305 1.00 12.00 C ATOM 909 CG ASN A 59 2.047 13.212 -4.884 1.00 12.00 C ATOM 910 OD1 ASN A 59 1.070 13.320 -4.169 1.00 12.00 O ATOM 911 ND2 ASN A 59 1.954 13.477 -6.160 1.00 12.00 N ATOM 0 H ASN A 59 5.617 11.048 -4.307 1.00 12.00 H new ATOM 0 HA ASN A 59 2.652 10.834 -3.796 1.00 12.00 H new ATOM 0 HB2 ASN A 59 3.489 13.134 -3.280 1.00 12.00 H new ATOM 0 HB3 ASN A 59 4.205 13.221 -4.877 1.00 12.00 H new ATOM 0 HD21 ASN A 59 1.062 13.774 -6.555 1.00 12.00 H new ATOM 0 HD22 ASN A 59 2.773 13.387 -6.761 1.00 12.00 H new ATOM 918 N VAL A 60 2.700 9.756 -6.119 1.00 12.00 N ATOM 919 CA VAL A 60 2.706 9.186 -7.512 1.00 12.00 C ATOM 920 C VAL A 60 1.313 9.316 -8.132 1.00 12.00 C ATOM 921 O VAL A 60 0.359 9.639 -7.447 1.00 12.00 O ATOM 922 CB VAL A 60 3.110 7.700 -7.440 1.00 12.00 C ATOM 923 CG1 VAL A 60 3.420 7.171 -8.842 1.00 12.00 C ATOM 924 CG2 VAL A 60 4.359 7.541 -6.565 1.00 12.00 C ATOM 0 H VAL A 60 2.032 9.323 -5.481 1.00 12.00 H new ATOM 0 HA VAL A 60 3.418 9.732 -8.131 1.00 12.00 H new ATOM 0 HB VAL A 60 2.282 7.136 -7.010 1.00 12.00 H new ATOM 0 HG11 VAL A 60 3.704 6.121 -8.780 1.00 12.00 H new ATOM 0 HG12 VAL A 60 2.536 7.271 -9.472 1.00 12.00 H new ATOM 0 HG13 VAL A 60 4.241 7.744 -9.274 1.00 12.00 H new ATOM 0 HG21 VAL A 60 4.639 6.489 -6.518 1.00 12.00 H new ATOM 0 HG22 VAL A 60 5.179 8.116 -6.994 1.00 12.00 H new ATOM 0 HG23 VAL A 60 4.148 7.905 -5.560 1.00 12.00 H new ATOM 934 N LEU A 61 1.200 9.079 -9.426 1.00 12.00 N ATOM 935 CA LEU A 61 -0.126 9.194 -10.114 1.00 12.00 C ATOM 936 C LEU A 61 -0.401 7.951 -10.971 1.00 12.00 C ATOM 937 O LEU A 61 0.246 7.741 -11.985 1.00 12.00 O ATOM 938 CB LEU A 61 -0.125 10.423 -11.026 1.00 12.00 C ATOM 939 CG LEU A 61 0.050 11.694 -10.195 1.00 12.00 C ATOM 940 CD1 LEU A 61 1.533 12.059 -10.130 1.00 12.00 C ATOM 941 CD2 LEU A 61 -0.723 12.837 -10.858 1.00 12.00 C ATOM 0 H LEU A 61 1.975 8.810 -10.032 1.00 12.00 H new ATOM 0 HA LEU A 61 -0.900 9.286 -9.352 1.00 12.00 H new ATOM 0 HB2 LEU A 61 0.680 10.343 -11.756 1.00 12.00 H new ATOM 0 HB3 LEU A 61 -1.059 10.471 -11.586 1.00 12.00 H new ATOM 0 HG LEU A 61 -0.329 11.528 -9.186 1.00 12.00 H new ATOM 0 HD11 LEU A 61 1.659 12.965 -9.538 1.00 12.00 H new ATOM 0 HD12 LEU A 61 2.089 11.243 -9.668 1.00 12.00 H new ATOM 0 HD13 LEU A 61 1.910 12.229 -11.138 1.00 12.00 H new ATOM 0 HD21 LEU A 61 -0.602 13.747 -10.270 1.00 12.00 H new ATOM 0 HD22 LEU A 61 -0.338 13.001 -11.864 1.00 12.00 H new ATOM 0 HD23 LEU A 61 -1.780 12.578 -10.912 1.00 12.00 H new ATOM 953 N SER A 62 -1.382 7.148 -10.588 1.00 12.00 N ATOM 954 CA SER A 62 -1.748 5.932 -11.394 1.00 12.00 C ATOM 955 C SER A 62 -2.172 6.414 -12.792 1.00 12.00 C ATOM 956 O SER A 62 -3.319 6.783 -13.005 1.00 12.00 O ATOM 957 CB SER A 62 -2.910 5.187 -10.718 1.00 12.00 C ATOM 958 OG SER A 62 -2.838 5.349 -9.306 1.00 12.00 O ATOM 0 H SER A 62 -1.944 7.288 -9.748 1.00 12.00 H new ATOM 0 HA SER A 62 -0.902 5.248 -11.466 1.00 12.00 H new ATOM 0 HB2 SER A 62 -3.862 5.569 -11.088 1.00 12.00 H new ATOM 0 HB3 SER A 62 -2.871 4.128 -10.973 1.00 12.00 H new ATOM 0 HG SER A 62 -3.221 4.561 -8.866 1.00 12.00 H new ATOM 964 N THR A 63 -1.237 6.456 -13.730 1.00 12.00 N ATOM 965 CA THR A 63 -1.540 6.956 -15.111 1.00 12.00 C ATOM 966 C THR A 63 -2.153 5.850 -15.973 1.00 12.00 C ATOM 967 O THR A 63 -3.083 6.099 -16.720 1.00 12.00 O ATOM 968 CB THR A 63 -0.246 7.455 -15.770 1.00 12.00 C ATOM 969 OG1 THR A 63 0.832 6.597 -15.418 1.00 12.00 O ATOM 970 CG2 THR A 63 0.062 8.883 -15.303 1.00 12.00 C ATOM 0 H THR A 63 -0.271 6.161 -13.588 1.00 12.00 H new ATOM 0 HA THR A 63 -2.259 7.772 -15.031 1.00 12.00 H new ATOM 0 HB THR A 63 -0.374 7.452 -16.852 1.00 12.00 H new ATOM 0 HG1 THR A 63 1.656 6.917 -15.841 1.00 12.00 H new ATOM 0 HG21 THR A 63 0.981 9.230 -15.775 1.00 12.00 H new ATOM 0 HG22 THR A 63 -0.760 9.542 -15.582 1.00 12.00 H new ATOM 0 HG23 THR A 63 0.184 8.893 -14.220 1.00 12.00 H new ATOM 978 N THR A 64 -1.626 4.642 -15.888 1.00 12.00 N ATOM 979 CA THR A 64 -2.158 3.498 -16.718 1.00 12.00 C ATOM 980 C THR A 64 -3.686 3.369 -16.513 1.00 12.00 C ATOM 981 O THR A 64 -4.443 4.102 -17.130 1.00 12.00 O ATOM 982 CB THR A 64 -1.407 2.180 -16.373 1.00 12.00 C ATOM 983 OG1 THR A 64 -2.179 1.053 -16.773 1.00 12.00 O ATOM 984 CG2 THR A 64 -1.116 2.089 -14.867 1.00 12.00 C ATOM 0 H THR A 64 -0.847 4.398 -15.277 1.00 12.00 H new ATOM 0 HA THR A 64 -1.980 3.700 -17.774 1.00 12.00 H new ATOM 0 HB THR A 64 -0.461 2.184 -16.914 1.00 12.00 H new ATOM 0 HG1 THR A 64 -1.695 0.230 -16.552 1.00 12.00 H new ATOM 0 HG21 THR A 64 -0.591 1.158 -14.654 1.00 12.00 H new ATOM 0 HG22 THR A 64 -0.496 2.933 -14.565 1.00 12.00 H new ATOM 0 HG23 THR A 64 -2.055 2.111 -14.313 1.00 12.00 H new ATOM 992 N ARG A 65 -4.143 2.459 -15.668 1.00 12.00 N ATOM 993 CA ARG A 65 -5.617 2.300 -15.436 1.00 12.00 C ATOM 994 C ARG A 65 -5.852 1.158 -14.446 1.00 12.00 C ATOM 995 O ARG A 65 -5.813 -0.008 -14.809 1.00 12.00 O ATOM 996 CB ARG A 65 -6.330 1.989 -16.759 1.00 12.00 C ATOM 997 CG ARG A 65 -5.709 0.750 -17.409 1.00 12.00 C ATOM 998 CD ARG A 65 -5.875 0.837 -18.925 1.00 12.00 C ATOM 999 NE ARG A 65 -4.681 1.501 -19.517 1.00 12.00 N ATOM 1000 CZ ARG A 65 -4.256 1.143 -20.698 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -5.052 1.220 -21.729 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -3.034 0.708 -20.848 1.00 12.00 N ATOM 0 H ARG A 65 -3.553 1.822 -15.132 1.00 12.00 H new ATOM 0 HA ARG A 65 -6.018 3.228 -15.029 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -7.392 1.822 -16.579 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -6.251 2.842 -17.433 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -4.652 0.681 -17.151 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -6.189 -0.152 -17.030 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -5.996 -0.161 -19.346 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -6.776 1.398 -19.171 1.00 12.00 H new ATOM 0 HE ARG A 65 -4.196 2.235 -19.000 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -6.007 1.560 -21.612 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -4.720 0.940 -22.652 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -2.412 0.648 -20.042 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -2.702 0.428 -21.771 1.00 12.00 H new ATOM 1016 N PHE A 66 -6.085 1.494 -13.198 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.320 0.437 -12.156 1.00 12.00 C ATOM 1018 C PHE A 66 -7.846 0.230 -11.956 1.00 12.00 C ATOM 1019 O PHE A 66 -8.318 0.108 -10.843 1.00 12.00 O ATOM 1020 CB PHE A 66 -5.643 0.875 -10.842 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.137 0.721 -10.972 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.360 1.765 -11.506 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.516 -0.470 -10.567 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -1.973 1.612 -11.629 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -2.128 -0.618 -10.696 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.359 0.423 -11.226 1.00 12.00 C ATOM 0 H PHE A 66 -6.123 2.454 -12.854 1.00 12.00 H new ATOM 0 HA PHE A 66 -5.890 -0.512 -12.476 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -5.895 1.912 -10.618 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -6.011 0.271 -10.012 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -3.832 2.684 -11.821 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -4.108 -1.274 -10.155 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -1.377 2.415 -12.036 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -1.652 -1.537 -10.386 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.290 0.308 -11.324 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.597 0.174 -13.059 1.00 12.00 N ATOM 1037 CA GLN A 67 -10.107 -0.038 -13.057 1.00 12.00 C ATOM 1038 C GLN A 67 -10.787 0.267 -11.706 1.00 12.00 C ATOM 1039 O GLN A 67 -10.672 -0.511 -10.770 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.395 -1.494 -13.437 1.00 12.00 C ATOM 1041 CG GLN A 67 -9.986 -1.742 -14.898 1.00 12.00 C ATOM 1042 CD GLN A 67 -8.830 -2.748 -14.952 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -7.688 -2.368 -15.121 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -9.082 -4.021 -14.813 1.00 12.00 N ATOM 0 H GLN A 67 -8.206 0.271 -13.996 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.523 0.667 -13.777 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -9.847 -2.167 -12.777 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -11.455 -1.711 -13.305 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -10.837 -2.122 -15.464 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -9.686 -0.804 -15.365 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -10.041 -4.339 -14.671 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -8.320 -4.698 -14.846 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.501 1.381 -11.604 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.189 1.726 -10.313 1.00 12.00 C ATOM 1055 C LEU A 68 -13.685 1.359 -10.345 1.00 12.00 C ATOM 1056 O LEU A 68 -14.318 1.330 -11.389 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.044 3.230 -9.995 1.00 12.00 C ATOM 1058 CG LEU A 68 -12.184 4.125 -11.244 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -13.468 3.802 -12.014 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -12.251 5.587 -10.788 1.00 12.00 C ATOM 0 H LEU A 68 -11.632 2.057 -12.357 1.00 12.00 H new ATOM 0 HA LEU A 68 -11.703 1.140 -9.533 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -12.800 3.516 -9.263 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.072 3.407 -9.535 1.00 12.00 H new ATOM 0 HG LEU A 68 -11.329 3.949 -11.897 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -13.540 4.448 -12.889 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -13.449 2.760 -12.333 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -14.331 3.968 -11.369 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -12.350 6.235 -11.658 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -13.111 5.725 -10.133 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -11.339 5.842 -10.248 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.238 1.113 -9.175 1.00 12.00 N ATOM 1073 CA ASN A 69 -15.699 0.789 -9.035 1.00 12.00 C ATOM 1074 C ASN A 69 -16.297 1.867 -8.134 1.00 12.00 C ATOM 1075 O ASN A 69 -16.089 1.843 -6.932 1.00 12.00 O ATOM 1076 CB ASN A 69 -15.897 -0.577 -8.367 1.00 12.00 C ATOM 1077 CG ASN A 69 -17.261 -1.142 -8.766 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -17.436 -1.604 -9.875 1.00 12.00 O ATOM 1079 ND2 ASN A 69 -18.242 -1.122 -7.904 1.00 12.00 N ATOM 0 H ASN A 69 -13.726 1.124 -8.293 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.174 0.757 -10.016 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -15.104 -1.261 -8.670 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -15.835 -0.477 -7.283 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -19.156 -1.495 -8.162 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -18.094 -0.734 -6.972 1.00 12.00 H new ATOM 1086 N THR A 70 -16.993 2.831 -8.698 1.00 12.00 N ATOM 1087 CA THR A 70 -17.553 3.942 -7.857 1.00 12.00 C ATOM 1088 C THR A 70 -19.037 3.742 -7.570 1.00 12.00 C ATOM 1089 O THR A 70 -19.854 3.663 -8.474 1.00 12.00 O ATOM 1090 CB THR A 70 -17.368 5.277 -8.592 1.00 12.00 C ATOM 1091 OG1 THR A 70 -16.038 5.363 -9.084 1.00 12.00 O ATOM 1092 CG2 THR A 70 -17.630 6.435 -7.627 1.00 12.00 C ATOM 0 H THR A 70 -17.196 2.896 -9.695 1.00 12.00 H new ATOM 0 HA THR A 70 -17.017 3.944 -6.908 1.00 12.00 H new ATOM 0 HB THR A 70 -18.070 5.334 -9.424 1.00 12.00 H new ATOM 0 HG1 THR A 70 -15.918 6.214 -9.555 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.498 7.382 -8.151 1.00 12.00 H new ATOM 0 HG22 THR A 70 -18.650 6.369 -7.248 1.00 12.00 H new ATOM 0 HG23 THR A 70 -16.929 6.380 -6.794 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.380 3.742 -6.302 1.00 12.00 N ATOM 1101 CA CYS A 71 -20.809 3.647 -5.883 1.00 12.00 C ATOM 1102 C CYS A 71 -21.132 5.036 -5.349 1.00 12.00 C ATOM 1103 O CYS A 71 -20.601 5.430 -4.324 1.00 12.00 O ATOM 1104 CB CYS A 71 -20.998 2.591 -4.779 1.00 12.00 C ATOM 1105 SG CYS A 71 -20.739 0.932 -5.460 1.00 12.00 S ATOM 0 H CYS A 71 -18.716 3.805 -5.530 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.459 3.345 -6.704 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -20.296 2.773 -3.966 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -22.000 2.668 -4.358 1.00 12.00 H new ATOM 1110 N THR A 72 -21.937 5.801 -6.053 1.00 12.00 N ATOM 1111 CA THR A 72 -22.222 7.203 -5.598 1.00 12.00 C ATOM 1112 C THR A 72 -23.688 7.376 -5.198 1.00 12.00 C ATOM 1113 O THR A 72 -24.583 6.856 -5.842 1.00 12.00 O ATOM 1114 CB THR A 72 -21.886 8.181 -6.732 1.00 12.00 C ATOM 1115 OG1 THR A 72 -20.659 7.797 -7.338 1.00 12.00 O ATOM 1116 CG2 THR A 72 -21.753 9.599 -6.170 1.00 12.00 C ATOM 0 H THR A 72 -22.405 5.519 -6.914 1.00 12.00 H new ATOM 0 HA THR A 72 -21.606 7.409 -4.723 1.00 12.00 H new ATOM 0 HB THR A 72 -22.684 8.161 -7.474 1.00 12.00 H new ATOM 0 HG1 THR A 72 -20.444 8.419 -8.064 1.00 12.00 H new ATOM 0 HG21 THR A 72 -21.514 10.290 -6.979 1.00 12.00 H new ATOM 0 HG22 THR A 72 -22.693 9.896 -5.705 1.00 12.00 H new ATOM 0 HG23 THR A 72 -20.957 9.622 -5.426 1.00 12.00 H new ATOM 1124 N ARG A 73 -23.923 8.127 -4.141 1.00 12.00 N ATOM 1125 CA ARG A 73 -25.315 8.390 -3.660 1.00 12.00 C ATOM 1126 C ARG A 73 -26.122 9.056 -4.782 1.00 12.00 C ATOM 1127 O ARG A 73 -25.864 10.196 -5.133 1.00 12.00 O ATOM 1128 CB ARG A 73 -25.257 9.319 -2.443 1.00 12.00 C ATOM 1129 CG ARG A 73 -26.651 9.454 -1.822 1.00 12.00 C ATOM 1130 CD ARG A 73 -27.444 10.542 -2.551 1.00 12.00 C ATOM 1131 NE ARG A 73 -28.164 11.382 -1.553 1.00 12.00 N ATOM 1132 CZ ARG A 73 -29.450 11.239 -1.387 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -30.279 11.722 -2.273 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -29.906 10.617 -0.335 1.00 12.00 N ATOM 0 H ARG A 73 -23.193 8.574 -3.586 1.00 12.00 H new ATOM 0 HA ARG A 73 -25.795 7.452 -3.380 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -24.558 8.924 -1.706 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -24.886 10.300 -2.741 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -27.180 8.503 -1.884 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -26.565 9.702 -0.764 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -26.772 11.160 -3.146 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -28.155 10.088 -3.242 1.00 12.00 H new ATOM 0 HE ARG A 73 -27.651 12.069 -1.000 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -29.921 12.210 -3.094 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -31.285 11.611 -2.144 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -29.257 10.243 0.357 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -30.911 10.505 -0.205 1.00 12.00 H new ATOM 1148 N THR A 74 -27.084 8.349 -5.347 1.00 12.00 N ATOM 1149 CA THR A 74 -27.908 8.926 -6.460 1.00 12.00 C ATOM 1150 C THR A 74 -29.408 8.621 -6.239 1.00 12.00 C ATOM 1151 O THR A 74 -30.085 9.372 -5.554 1.00 12.00 O ATOM 1152 CB THR A 74 -27.418 8.349 -7.796 1.00 12.00 C ATOM 1153 OG1 THR A 74 -27.191 6.952 -7.659 1.00 12.00 O ATOM 1154 CG2 THR A 74 -26.114 9.039 -8.198 1.00 12.00 C ATOM 0 H THR A 74 -27.331 7.396 -5.081 1.00 12.00 H new ATOM 0 HA THR A 74 -27.793 10.010 -6.477 1.00 12.00 H new ATOM 0 HB THR A 74 -28.174 8.518 -8.563 1.00 12.00 H new ATOM 0 HG1 THR A 74 -26.368 6.707 -8.130 1.00 12.00 H new ATOM 0 HG21 THR A 74 -25.764 8.631 -9.146 1.00 12.00 H new ATOM 0 HG22 THR A 74 -26.287 10.110 -8.305 1.00 12.00 H new ATOM 0 HG23 THR A 74 -25.360 8.869 -7.429 1.00 12.00 H new ATOM 1162 N SER A 75 -29.935 7.546 -6.814 1.00 12.00 N ATOM 1163 CA SER A 75 -31.391 7.214 -6.640 1.00 12.00 C ATOM 1164 C SER A 75 -31.606 5.717 -6.879 1.00 12.00 C ATOM 1165 O SER A 75 -31.587 5.260 -8.010 1.00 12.00 O ATOM 1166 CB SER A 75 -32.219 8.011 -7.651 1.00 12.00 C ATOM 1167 OG SER A 75 -31.700 7.796 -8.958 1.00 12.00 O ATOM 0 H SER A 75 -29.413 6.889 -7.395 1.00 12.00 H new ATOM 0 HA SER A 75 -31.703 7.471 -5.628 1.00 12.00 H new ATOM 0 HB2 SER A 75 -33.263 7.702 -7.607 1.00 12.00 H new ATOM 0 HB3 SER A 75 -32.190 9.073 -7.406 1.00 12.00 H new ATOM 0 HG SER A 75 -31.469 6.850 -9.067 1.00 12.00 H new ATOM 1173 N ILE A 76 -31.814 4.963 -5.819 1.00 12.00 N ATOM 1174 CA ILE A 76 -32.037 3.485 -5.952 1.00 12.00 C ATOM 1175 C ILE A 76 -33.201 3.073 -5.035 1.00 12.00 C ATOM 1176 O ILE A 76 -33.620 3.833 -4.176 1.00 12.00 O ATOM 1177 CB ILE A 76 -30.760 2.713 -5.562 1.00 12.00 C ATOM 1178 CG1 ILE A 76 -29.503 3.442 -6.085 1.00 12.00 C ATOM 1179 CG2 ILE A 76 -30.808 1.303 -6.168 1.00 12.00 C ATOM 1180 CD1 ILE A 76 -29.534 3.535 -7.616 1.00 12.00 C ATOM 0 H ILE A 76 -31.839 5.313 -4.861 1.00 12.00 H new ATOM 0 HA ILE A 76 -32.280 3.246 -6.987 1.00 12.00 H new ATOM 0 HB ILE A 76 -30.710 2.653 -4.475 1.00 12.00 H new ATOM 0 HG12 ILE A 76 -29.450 4.442 -5.655 1.00 12.00 H new ATOM 0 HG13 ILE A 76 -28.607 2.910 -5.765 1.00 12.00 H new ATOM 0 HG21 ILE A 76 -29.905 0.758 -5.892 1.00 12.00 H new ATOM 0 HG22 ILE A 76 -31.682 0.774 -5.789 1.00 12.00 H new ATOM 0 HG23 ILE A 76 -30.871 1.376 -7.254 1.00 12.00 H new ATOM 0 HD11 ILE A 76 -28.641 4.052 -7.967 1.00 12.00 H new ATOM 0 HD12 ILE A 76 -29.564 2.532 -8.041 1.00 12.00 H new ATOM 0 HD13 ILE A 76 -30.420 4.088 -7.929 1.00 12.00 H new ATOM 1192 N THR A 77 -33.732 1.883 -5.232 1.00 12.00 N ATOM 1193 CA THR A 77 -34.889 1.388 -4.407 1.00 12.00 C ATOM 1194 C THR A 77 -34.627 1.527 -2.888 1.00 12.00 C ATOM 1195 O THR A 77 -35.500 2.006 -2.184 1.00 12.00 O ATOM 1196 CB THR A 77 -35.187 -0.083 -4.737 1.00 12.00 C ATOM 1197 OG1 THR A 77 -34.929 -0.332 -6.113 1.00 12.00 O ATOM 1198 CG2 THR A 77 -36.657 -0.382 -4.436 1.00 12.00 C ATOM 0 H THR A 77 -33.407 1.225 -5.940 1.00 12.00 H new ATOM 0 HA THR A 77 -35.748 2.010 -4.659 1.00 12.00 H new ATOM 0 HB THR A 77 -34.548 -0.724 -4.130 1.00 12.00 H new ATOM 0 HG1 THR A 77 -35.119 -1.272 -6.317 1.00 12.00 H new ATOM 0 HG21 THR A 77 -36.871 -1.425 -4.669 1.00 12.00 H new ATOM 0 HG22 THR A 77 -36.857 -0.198 -3.380 1.00 12.00 H new ATOM 0 HG23 THR A 77 -37.291 0.263 -5.044 1.00 12.00 H new ATOM 1206 N PRO A 78 -33.464 1.093 -2.402 1.00 12.00 N ATOM 1207 CA PRO A 78 -33.140 1.160 -0.962 1.00 12.00 C ATOM 1208 C PRO A 78 -32.740 2.580 -0.552 1.00 12.00 C ATOM 1209 O PRO A 78 -31.856 3.181 -1.138 1.00 12.00 O ATOM 1210 CB PRO A 78 -31.967 0.190 -0.800 1.00 12.00 C ATOM 1211 CG PRO A 78 -31.318 0.053 -2.195 1.00 12.00 C ATOM 1212 CD PRO A 78 -32.372 0.513 -3.219 1.00 12.00 C ATOM 0 HA PRO A 78 -33.989 0.899 -0.331 1.00 12.00 H new ATOM 0 HB2 PRO A 78 -31.248 0.568 -0.073 1.00 12.00 H new ATOM 0 HB3 PRO A 78 -32.311 -0.778 -0.435 1.00 12.00 H new ATOM 0 HG2 PRO A 78 -30.418 0.664 -2.265 1.00 12.00 H new ATOM 0 HG3 PRO A 78 -31.019 -0.978 -2.383 1.00 12.00 H new ATOM 0 HD2 PRO A 78 -31.959 1.250 -3.908 1.00 12.00 H new ATOM 0 HD3 PRO A 78 -32.729 -0.322 -3.822 1.00 12.00 H new ATOM 1220 N ARG A 79 -33.395 3.101 0.462 1.00 12.00 N ATOM 1221 CA ARG A 79 -33.092 4.478 0.965 1.00 12.00 C ATOM 1222 C ARG A 79 -33.288 4.498 2.495 1.00 12.00 C ATOM 1223 O ARG A 79 -33.973 3.637 3.019 1.00 12.00 O ATOM 1224 CB ARG A 79 -34.044 5.486 0.305 1.00 12.00 C ATOM 1225 CG ARG A 79 -35.499 5.046 0.510 1.00 12.00 C ATOM 1226 CD ARG A 79 -36.147 5.898 1.606 1.00 12.00 C ATOM 1227 NE ARG A 79 -37.281 5.147 2.210 1.00 12.00 N ATOM 1228 CZ ARG A 79 -38.508 5.503 1.953 1.00 12.00 C ATOM 1229 NH1 ARG A 79 -38.900 5.655 0.718 1.00 12.00 N ATOM 1230 NH2 ARG A 79 -39.343 5.718 2.933 1.00 12.00 N ATOM 0 H ARG A 79 -34.138 2.620 0.969 1.00 12.00 H new ATOM 0 HA ARG A 79 -32.065 4.749 0.721 1.00 12.00 H new ATOM 0 HB2 ARG A 79 -33.891 6.477 0.733 1.00 12.00 H new ATOM 0 HB3 ARG A 79 -33.825 5.562 -0.760 1.00 12.00 H new ATOM 0 HG2 ARG A 79 -36.055 5.150 -0.422 1.00 12.00 H new ATOM 0 HG3 ARG A 79 -35.535 3.992 0.786 1.00 12.00 H new ATOM 0 HD2 ARG A 79 -35.412 6.146 2.372 1.00 12.00 H new ATOM 0 HD3 ARG A 79 -36.502 6.840 1.188 1.00 12.00 H new ATOM 0 HE ARG A 79 -37.098 4.354 2.825 1.00 12.00 H new ATOM 0 HH11 ARG A 79 -38.246 5.495 -0.048 1.00 12.00 H new ATOM 0 HH12 ARG A 79 -39.861 5.934 0.518 1.00 12.00 H new ATOM 0 HH21 ARG A 79 -39.035 5.607 3.899 1.00 12.00 H new ATOM 0 HH22 ARG A 79 -40.304 5.997 2.733 1.00 12.00 H new ATOM 1244 N PRO A 80 -32.679 5.460 3.182 1.00 12.00 N ATOM 1245 CA PRO A 80 -31.836 6.526 2.585 1.00 12.00 C ATOM 1246 C PRO A 80 -30.464 5.981 2.184 1.00 12.00 C ATOM 1247 O PRO A 80 -30.198 4.796 2.303 1.00 12.00 O ATOM 1248 CB PRO A 80 -31.703 7.558 3.709 1.00 12.00 C ATOM 1249 CG PRO A 80 -31.971 6.804 5.028 1.00 12.00 C ATOM 1250 CD PRO A 80 -32.776 5.547 4.659 1.00 12.00 C ATOM 0 HA PRO A 80 -32.269 6.943 1.676 1.00 12.00 H new ATOM 0 HB2 PRO A 80 -30.708 8.003 3.712 1.00 12.00 H new ATOM 0 HB3 PRO A 80 -32.416 8.372 3.575 1.00 12.00 H new ATOM 0 HG2 PRO A 80 -31.035 6.535 5.518 1.00 12.00 H new ATOM 0 HG3 PRO A 80 -32.527 7.430 5.726 1.00 12.00 H new ATOM 0 HD2 PRO A 80 -32.364 4.658 5.136 1.00 12.00 H new ATOM 0 HD3 PRO A 80 -33.813 5.631 4.984 1.00 12.00 H new ATOM 1258 N CYS A 81 -29.601 6.854 1.711 1.00 12.00 N ATOM 1259 CA CYS A 81 -28.227 6.448 1.284 1.00 12.00 C ATOM 1260 C CYS A 81 -28.291 5.413 0.119 1.00 12.00 C ATOM 1261 O CYS A 81 -27.686 4.353 0.204 1.00 12.00 O ATOM 1262 CB CYS A 81 -27.492 5.866 2.497 1.00 12.00 C ATOM 1263 SG CYS A 81 -25.831 6.584 2.603 1.00 12.00 S ATOM 0 H CYS A 81 -29.799 7.849 1.603 1.00 12.00 H new ATOM 0 HA CYS A 81 -27.685 7.318 0.912 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -28.050 6.078 3.409 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -27.426 4.782 2.409 1.00 12.00 H new ATOM 1268 N PRO A 82 -29.000 5.754 -0.961 1.00 12.00 N ATOM 1269 CA PRO A 82 -29.110 4.871 -2.150 1.00 12.00 C ATOM 1270 C PRO A 82 -27.835 5.000 -2.985 1.00 12.00 C ATOM 1271 O PRO A 82 -27.420 6.101 -3.281 1.00 12.00 O ATOM 1272 CB PRO A 82 -30.306 5.438 -2.916 1.00 12.00 C ATOM 1273 CG PRO A 82 -30.453 6.910 -2.469 1.00 12.00 C ATOM 1274 CD PRO A 82 -29.750 7.029 -1.104 1.00 12.00 C ATOM 0 HA PRO A 82 -29.236 3.817 -1.903 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -30.144 5.373 -3.992 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -31.212 4.873 -2.695 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -30.001 7.583 -3.197 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -31.504 7.187 -2.389 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -29.081 7.889 -1.076 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -30.470 7.159 -0.296 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.204 3.897 -3.347 1.00 12.00 N ATOM 1283 CA TYR A 83 -25.922 3.980 -4.149 1.00 12.00 C ATOM 1284 C TYR A 83 -26.030 3.258 -5.498 1.00 12.00 C ATOM 1285 O TYR A 83 -26.528 2.149 -5.592 1.00 12.00 O ATOM 1286 CB TYR A 83 -24.750 3.378 -3.349 1.00 12.00 C ATOM 1287 CG TYR A 83 -24.170 4.435 -2.441 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -24.972 5.073 -1.491 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -22.829 4.795 -2.576 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -24.428 6.069 -0.672 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -22.285 5.792 -1.765 1.00 12.00 C ATOM 1292 CZ TYR A 83 -23.083 6.432 -0.811 1.00 12.00 C ATOM 1293 OH TYR A 83 -22.550 7.426 -0.006 1.00 12.00 O ATOM 0 H TYR A 83 -27.515 2.951 -3.126 1.00 12.00 H new ATOM 0 HA TYR A 83 -25.741 5.037 -4.344 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -25.095 2.527 -2.762 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -23.984 3.006 -4.029 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -26.011 4.798 -1.389 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -22.210 4.301 -3.310 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -25.046 6.557 0.067 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -21.247 6.070 -1.874 1.00 12.00 H new ATOM 0 HH TYR A 83 -23.264 7.831 0.529 1.00 12.00 H new ATOM 1303 N SER A 84 -25.519 3.899 -6.534 1.00 12.00 N ATOM 1304 CA SER A 84 -25.516 3.299 -7.917 1.00 12.00 C ATOM 1305 C SER A 84 -24.070 2.928 -8.264 1.00 12.00 C ATOM 1306 O SER A 84 -23.169 3.734 -8.093 1.00 12.00 O ATOM 1307 CB SER A 84 -26.039 4.326 -8.929 1.00 12.00 C ATOM 1308 OG SER A 84 -25.234 5.498 -8.875 1.00 12.00 O ATOM 0 H SER A 84 -25.098 4.826 -6.477 1.00 12.00 H new ATOM 0 HA SER A 84 -26.157 2.418 -7.950 1.00 12.00 H new ATOM 0 HB2 SER A 84 -26.019 3.905 -9.934 1.00 12.00 H new ATOM 0 HB3 SER A 84 -27.077 4.574 -8.708 1.00 12.00 H new ATOM 0 HG SER A 84 -24.353 5.273 -8.510 1.00 12.00 H new ATOM 1314 N SER A 85 -23.840 1.709 -8.712 1.00 12.00 N ATOM 1315 CA SER A 85 -22.445 1.253 -9.032 1.00 12.00 C ATOM 1316 C SER A 85 -22.096 1.479 -10.508 1.00 12.00 C ATOM 1317 O SER A 85 -22.931 1.336 -11.386 1.00 12.00 O ATOM 1318 CB SER A 85 -22.324 -0.244 -8.718 1.00 12.00 C ATOM 1319 OG SER A 85 -23.178 -0.978 -9.588 1.00 12.00 O ATOM 0 H SER A 85 -24.564 1.009 -8.870 1.00 12.00 H new ATOM 0 HA SER A 85 -21.753 1.837 -8.426 1.00 12.00 H new ATOM 0 HB2 SER A 85 -21.292 -0.571 -8.842 1.00 12.00 H new ATOM 0 HB3 SER A 85 -22.595 -0.432 -7.679 1.00 12.00 H new ATOM 0 HG SER A 85 -23.101 -1.935 -9.391 1.00 12.00 H new ATOM 1325 N ARG A 86 -20.844 1.806 -10.766 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.357 2.024 -12.167 1.00 12.00 C ATOM 1327 C ARG A 86 -18.873 1.644 -12.233 1.00 12.00 C ATOM 1328 O ARG A 86 -18.193 1.637 -11.221 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.521 3.495 -12.559 1.00 12.00 C ATOM 1330 CG ARG A 86 -20.397 3.626 -14.080 1.00 12.00 C ATOM 1331 CD ARG A 86 -21.153 4.869 -14.554 1.00 12.00 C ATOM 1332 NE ARG A 86 -20.203 6.009 -14.686 1.00 12.00 N ATOM 1333 CZ ARG A 86 -20.649 7.234 -14.638 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -21.333 7.719 -15.638 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -20.415 7.973 -13.590 1.00 12.00 N ATOM 0 H ARG A 86 -20.130 1.932 -10.048 1.00 12.00 H new ATOM 0 HA ARG A 86 -20.937 1.409 -12.855 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -21.491 3.866 -12.228 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -19.762 4.102 -12.066 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -19.347 3.697 -14.364 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -20.799 2.737 -14.565 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -21.635 4.671 -15.511 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -21.942 5.120 -13.845 1.00 12.00 H new ATOM 0 HE ARG A 86 -19.207 5.832 -14.814 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -21.519 7.140 -16.457 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -21.682 8.677 -15.600 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -19.883 7.594 -12.807 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -20.764 8.931 -13.553 1.00 12.00 H new ATOM 1349 N THR A 87 -18.375 1.324 -13.410 1.00 12.00 N ATOM 1350 CA THR A 87 -16.929 0.936 -13.558 1.00 12.00 C ATOM 1351 C THR A 87 -16.285 1.770 -14.666 1.00 12.00 C ATOM 1352 O THR A 87 -16.962 2.221 -15.575 1.00 12.00 O ATOM 1353 CB THR A 87 -16.822 -0.550 -13.928 1.00 12.00 C ATOM 1354 OG1 THR A 87 -17.839 -1.288 -13.263 1.00 12.00 O ATOM 1355 CG2 THR A 87 -15.449 -1.083 -13.513 1.00 12.00 C ATOM 0 H THR A 87 -18.911 1.315 -14.278 1.00 12.00 H new ATOM 0 HA THR A 87 -16.417 1.115 -12.613 1.00 12.00 H new ATOM 0 HB THR A 87 -16.945 -0.661 -15.005 1.00 12.00 H new ATOM 0 HG1 THR A 87 -17.767 -2.235 -13.504 1.00 12.00 H new ATOM 0 HG21 THR A 87 -15.374 -2.138 -13.776 1.00 12.00 H new ATOM 0 HG22 THR A 87 -14.670 -0.523 -14.031 1.00 12.00 H new ATOM 0 HG23 THR A 87 -15.324 -0.968 -12.436 1.00 12.00 H new ATOM 1363 N GLU A 88 -14.982 1.970 -14.594 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.272 2.775 -15.643 1.00 12.00 C ATOM 1365 C GLU A 88 -12.758 2.708 -15.418 1.00 12.00 C ATOM 1366 O GLU A 88 -12.291 2.091 -14.476 1.00 12.00 O ATOM 1367 CB GLU A 88 -14.731 4.235 -15.560 1.00 12.00 C ATOM 1368 CG GLU A 88 -14.843 4.826 -16.968 1.00 12.00 C ATOM 1369 CD GLU A 88 -16.047 5.766 -17.036 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -16.088 6.703 -16.255 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -16.909 5.532 -17.866 1.00 12.00 O ATOM 0 H GLU A 88 -14.383 1.609 -13.852 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.508 2.368 -16.626 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -15.694 4.294 -15.053 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -14.023 4.815 -14.968 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -13.931 5.368 -17.219 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -14.951 4.027 -17.701 1.00 12.00 H new ATOM 1378 N THR A 89 -11.999 3.356 -16.281 1.00 12.00 N ATOM 1379 CA THR A 89 -10.505 3.373 -16.149 1.00 12.00 C ATOM 1380 C THR A 89 -10.144 4.043 -14.829 1.00 12.00 C ATOM 1381 O THR A 89 -10.814 4.975 -14.412 1.00 12.00 O ATOM 1382 CB THR A 89 -9.908 4.176 -17.315 1.00 12.00 C ATOM 1383 OG1 THR A 89 -10.341 3.606 -18.541 1.00 12.00 O ATOM 1384 CG2 THR A 89 -8.379 4.142 -17.251 1.00 12.00 C ATOM 0 H THR A 89 -12.360 3.879 -17.079 1.00 12.00 H new ATOM 0 HA THR A 89 -10.109 2.358 -16.170 1.00 12.00 H new ATOM 0 HB THR A 89 -10.242 5.211 -17.246 1.00 12.00 H new ATOM 0 HG1 THR A 89 -9.965 4.115 -19.289 1.00 12.00 H new ATOM 0 HG21 THR A 89 -7.967 4.714 -18.082 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.044 4.578 -16.310 1.00 12.00 H new ATOM 0 HG23 THR A 89 -8.035 3.110 -17.316 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.107 3.572 -14.155 1.00 12.00 N ATOM 1393 CA ASN A 90 -8.740 4.197 -12.838 1.00 12.00 C ATOM 1394 C ASN A 90 -7.457 5.035 -12.931 1.00 12.00 C ATOM 1395 O ASN A 90 -6.372 4.595 -12.579 1.00 12.00 O ATOM 1396 CB ASN A 90 -8.594 3.128 -11.747 1.00 12.00 C ATOM 1397 CG ASN A 90 -8.705 3.784 -10.362 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -9.424 4.750 -10.179 1.00 12.00 O ATOM 1399 ND2 ASN A 90 -8.013 3.297 -9.370 1.00 12.00 N ATOM 0 H ASN A 90 -8.513 2.799 -14.455 1.00 12.00 H new ATOM 0 HA ASN A 90 -9.555 4.869 -12.570 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -9.367 2.368 -11.863 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -7.633 2.623 -11.845 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -8.075 3.725 -8.446 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -7.409 2.488 -9.518 1.00 12.00 H new ATOM 1406 N TYR A 91 -7.611 6.279 -13.323 1.00 12.00 N ATOM 1407 CA TYR A 91 -6.456 7.227 -13.360 1.00 12.00 C ATOM 1408 C TYR A 91 -6.608 8.050 -12.093 1.00 12.00 C ATOM 1409 O TYR A 91 -7.512 8.865 -11.988 1.00 12.00 O ATOM 1410 CB TYR A 91 -6.486 8.132 -14.606 1.00 12.00 C ATOM 1411 CG TYR A 91 -7.899 8.541 -14.951 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -8.682 7.714 -15.762 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -8.418 9.749 -14.470 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -9.986 8.092 -16.094 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -9.725 10.128 -14.802 1.00 12.00 C ATOM 1416 CZ TYR A 91 -10.510 9.299 -15.614 1.00 12.00 C ATOM 1417 OH TYR A 91 -11.797 9.673 -15.944 1.00 12.00 O ATOM 0 H TYR A 91 -8.500 6.680 -13.622 1.00 12.00 H new ATOM 0 HA TYR A 91 -5.504 6.699 -13.414 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -5.881 9.021 -14.428 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -6.040 7.607 -15.451 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -8.279 6.783 -16.132 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -7.812 10.387 -13.844 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -10.590 7.453 -16.721 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -10.128 11.059 -14.432 1.00 12.00 H new ATOM 0 HH TYR A 91 -12.004 10.536 -15.528 1.00 12.00 H new ATOM 1427 N ILE A 92 -5.784 7.783 -11.107 1.00 12.00 N ATOM 1428 CA ILE A 92 -5.933 8.487 -9.791 1.00 12.00 C ATOM 1429 C ILE A 92 -4.585 8.945 -9.228 1.00 12.00 C ATOM 1430 O ILE A 92 -3.551 8.795 -9.848 1.00 12.00 O ATOM 1431 CB ILE A 92 -6.634 7.551 -8.782 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -6.099 6.102 -8.886 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -8.139 7.551 -9.069 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -5.398 5.716 -7.588 1.00 12.00 C ATOM 0 H ILE A 92 -5.018 7.111 -11.155 1.00 12.00 H new ATOM 0 HA ILE A 92 -6.537 9.379 -9.956 1.00 12.00 H new ATOM 0 HB ILE A 92 -6.431 7.917 -7.775 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -6.921 5.414 -9.084 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -5.406 6.020 -9.723 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -8.644 6.893 -8.362 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -8.529 8.563 -8.965 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -8.316 7.197 -10.085 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -5.023 4.695 -7.666 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -4.565 6.396 -7.408 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -6.104 5.781 -6.760 1.00 12.00 H new ATOM 1446 N CYS A 93 -4.628 9.518 -8.046 1.00 12.00 N ATOM 1447 CA CYS A 93 -3.397 10.033 -7.355 1.00 12.00 C ATOM 1448 C CYS A 93 -3.209 9.262 -6.050 1.00 12.00 C ATOM 1449 O CYS A 93 -4.085 9.260 -5.202 1.00 12.00 O ATOM 1450 CB CYS A 93 -3.592 11.519 -7.039 1.00 12.00 C ATOM 1451 SG CYS A 93 -2.022 12.265 -6.537 1.00 12.00 S ATOM 0 H CYS A 93 -5.489 9.654 -7.517 1.00 12.00 H new ATOM 0 HA CYS A 93 -2.523 9.903 -7.993 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -3.984 12.036 -7.915 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -4.328 11.635 -6.244 1.00 12.00 H new ATOM 1456 N VAL A 94 -2.080 8.603 -5.898 1.00 12.00 N ATOM 1457 CA VAL A 94 -1.818 7.805 -4.659 1.00 12.00 C ATOM 1458 C VAL A 94 -0.603 8.367 -3.900 1.00 12.00 C ATOM 1459 O VAL A 94 0.148 9.165 -4.434 1.00 12.00 O ATOM 1460 CB VAL A 94 -1.560 6.337 -5.063 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -0.176 6.173 -5.708 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -1.650 5.466 -3.815 1.00 12.00 C ATOM 0 H VAL A 94 -1.326 8.586 -6.585 1.00 12.00 H new ATOM 0 HA VAL A 94 -2.683 7.863 -3.999 1.00 12.00 H new ATOM 0 HB VAL A 94 -2.309 6.035 -5.795 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -0.023 5.129 -5.982 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -0.115 6.795 -6.601 1.00 12.00 H new ATOM 0 HG13 VAL A 94 0.594 6.479 -5.000 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -1.470 4.425 -4.084 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -0.901 5.789 -3.091 1.00 12.00 H new ATOM 0 HG23 VAL A 94 -2.643 5.561 -3.376 1.00 12.00 H new ATOM 1472 N LYS A 95 -0.402 7.924 -2.669 1.00 12.00 N ATOM 1473 CA LYS A 95 0.772 8.382 -1.869 1.00 12.00 C ATOM 1474 C LYS A 95 1.492 7.141 -1.303 1.00 12.00 C ATOM 1475 O LYS A 95 0.844 6.184 -0.892 1.00 12.00 O ATOM 1476 CB LYS A 95 0.308 9.311 -0.746 1.00 12.00 C ATOM 1477 CG LYS A 95 0.093 10.717 -1.313 1.00 12.00 C ATOM 1478 CD LYS A 95 0.378 11.755 -0.228 1.00 12.00 C ATOM 1479 CE LYS A 95 -0.159 13.117 -0.675 1.00 12.00 C ATOM 1480 NZ LYS A 95 -0.160 14.056 0.481 1.00 12.00 N ATOM 0 H LYS A 95 -1.011 7.260 -2.191 1.00 12.00 H new ATOM 0 HA LYS A 95 1.464 8.942 -2.497 1.00 12.00 H new ATOM 0 HB2 LYS A 95 -0.617 8.937 -0.307 1.00 12.00 H new ATOM 0 HB3 LYS A 95 1.051 9.337 0.051 1.00 12.00 H new ATOM 0 HG2 LYS A 95 0.749 10.880 -2.168 1.00 12.00 H new ATOM 0 HG3 LYS A 95 -0.931 10.823 -1.672 1.00 12.00 H new ATOM 0 HD2 LYS A 95 -0.092 11.456 0.709 1.00 12.00 H new ATOM 0 HD3 LYS A 95 1.450 11.818 -0.042 1.00 12.00 H new ATOM 0 HE2 LYS A 95 0.458 13.516 -1.480 1.00 12.00 H new ATOM 0 HE3 LYS A 95 -1.169 13.009 -1.070 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 -0.525 14.981 0.177 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 -0.766 13.676 1.236 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 0.810 14.167 0.839 1.00 12.00 H new ATOM 1494 N CYS A 96 2.817 7.124 -1.322 1.00 12.00 N ATOM 1495 CA CYS A 96 3.572 5.912 -0.847 1.00 12.00 C ATOM 1496 C CYS A 96 4.364 6.140 0.452 1.00 12.00 C ATOM 1497 O CYS A 96 5.280 6.938 0.510 1.00 12.00 O ATOM 1498 CB CYS A 96 4.571 5.476 -1.930 1.00 12.00 C ATOM 1499 SG CYS A 96 3.903 5.769 -3.591 1.00 12.00 S ATOM 0 H CYS A 96 3.401 7.895 -1.645 1.00 12.00 H new ATOM 0 HA CYS A 96 2.818 5.151 -0.647 1.00 12.00 H new ATOM 0 HB2 CYS A 96 5.506 6.024 -1.809 1.00 12.00 H new ATOM 0 HB3 CYS A 96 4.804 4.418 -1.810 1.00 12.00 H new ATOM 1504 N GLU A 97 4.063 5.340 1.450 1.00 12.00 N ATOM 1505 CA GLU A 97 4.818 5.345 2.749 1.00 12.00 C ATOM 1506 C GLU A 97 5.102 3.864 3.018 1.00 12.00 C ATOM 1507 O GLU A 97 4.283 3.027 2.679 1.00 12.00 O ATOM 1508 CB GLU A 97 3.991 5.968 3.881 1.00 12.00 C ATOM 1509 CG GLU A 97 4.707 5.766 5.221 1.00 12.00 C ATOM 1510 CD GLU A 97 3.998 6.577 6.305 1.00 12.00 C ATOM 1511 OE1 GLU A 97 2.908 6.189 6.691 1.00 12.00 O ATOM 1512 OE2 GLU A 97 4.562 7.569 6.738 1.00 12.00 O ATOM 0 H GLU A 97 3.301 4.662 1.417 1.00 12.00 H new ATOM 0 HA GLU A 97 5.727 5.944 2.697 1.00 12.00 H new ATOM 0 HB2 GLU A 97 3.845 7.032 3.693 1.00 12.00 H new ATOM 0 HB3 GLU A 97 3.002 5.511 3.915 1.00 12.00 H new ATOM 0 HG2 GLU A 97 4.712 4.709 5.487 1.00 12.00 H new ATOM 0 HG3 GLU A 97 5.748 6.079 5.140 1.00 12.00 H new ATOM 1519 N ASN A 98 6.255 3.509 3.555 1.00 12.00 N ATOM 1520 CA ASN A 98 6.574 2.037 3.730 1.00 12.00 C ATOM 1521 C ASN A 98 6.407 1.350 2.343 1.00 12.00 C ATOM 1522 O ASN A 98 6.054 0.196 2.234 1.00 12.00 O ATOM 1523 CB ASN A 98 5.609 1.419 4.749 1.00 12.00 C ATOM 1524 CG ASN A 98 5.880 2.023 6.126 1.00 12.00 C ATOM 1525 OD1 ASN A 98 5.023 2.660 6.705 1.00 12.00 O ATOM 1526 ND2 ASN A 98 7.050 1.850 6.677 1.00 12.00 N ATOM 0 H ASN A 98 6.977 4.155 3.874 1.00 12.00 H new ATOM 0 HA ASN A 98 7.591 1.901 4.097 1.00 12.00 H new ATOM 0 HB2 ASN A 98 4.577 1.608 4.452 1.00 12.00 H new ATOM 0 HB3 ASN A 98 5.738 0.337 4.781 1.00 12.00 H new ATOM 0 HD21 ASN A 98 7.246 2.250 7.595 1.00 12.00 H new ATOM 0 HD22 ASN A 98 7.769 1.315 6.190 1.00 12.00 H new ATOM 1533 N GLN A 99 6.639 2.125 1.295 1.00 12.00 N ATOM 1534 CA GLN A 99 6.525 1.699 -0.145 1.00 12.00 C ATOM 1535 C GLN A 99 5.180 1.052 -0.533 1.00 12.00 C ATOM 1536 O GLN A 99 5.028 0.598 -1.656 1.00 12.00 O ATOM 1537 CB GLN A 99 7.711 0.819 -0.568 1.00 12.00 C ATOM 1538 CG GLN A 99 7.691 -0.536 0.148 1.00 12.00 C ATOM 1539 CD GLN A 99 8.596 -0.481 1.388 1.00 12.00 C ATOM 1540 OE1 GLN A 99 9.643 0.138 1.367 1.00 12.00 O ATOM 1541 NE2 GLN A 99 8.240 -1.110 2.474 1.00 12.00 N ATOM 0 H GLN A 99 6.921 3.100 1.395 1.00 12.00 H new ATOM 0 HA GLN A 99 6.557 2.631 -0.709 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.682 0.662 -1.646 1.00 12.00 H new ATOM 0 HB3 GLN A 99 8.645 1.335 -0.346 1.00 12.00 H new ATOM 0 HG2 GLN A 99 6.672 -0.788 0.441 1.00 12.00 H new ATOM 0 HG3 GLN A 99 8.032 -1.320 -0.528 1.00 12.00 H new ATOM 0 HE21 GLN A 99 7.363 -1.631 2.498 1.00 12.00 H new ATOM 0 HE22 GLN A 99 8.838 -1.081 3.300 1.00 12.00 H new ATOM 1550 N TYR A 100 4.188 1.103 0.324 1.00 12.00 N ATOM 1551 CA TYR A 100 2.820 0.602 -0.040 1.00 12.00 C ATOM 1552 C TYR A 100 1.924 1.856 0.001 1.00 12.00 C ATOM 1553 O TYR A 100 2.170 2.720 0.824 1.00 12.00 O ATOM 1554 CB TYR A 100 2.351 -0.531 0.946 1.00 12.00 C ATOM 1555 CG TYR A 100 1.194 -0.119 1.876 1.00 12.00 C ATOM 1556 CD1 TYR A 100 -0.087 0.165 1.359 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.413 -0.018 3.256 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -1.127 0.548 2.213 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.369 0.368 4.106 1.00 12.00 C ATOM 1560 CZ TYR A 100 -0.896 0.653 3.585 1.00 12.00 C ATOM 1561 OH TYR A 100 -1.917 1.039 4.424 1.00 12.00 O ATOM 0 H TYR A 100 4.267 1.474 1.271 1.00 12.00 H new ATOM 0 HA TYR A 100 2.785 0.133 -1.023 1.00 12.00 H new ATOM 0 HB2 TYR A 100 2.043 -1.399 0.364 1.00 12.00 H new ATOM 0 HB3 TYR A 100 3.200 -0.841 1.556 1.00 12.00 H new ATOM 0 HD1 TYR A 100 -0.266 0.086 0.297 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.388 -0.238 3.665 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -2.106 0.762 1.811 1.00 12.00 H new ATOM 0 HE2 TYR A 100 0.542 0.446 5.169 1.00 12.00 H new ATOM 0 HH TYR A 100 -2.583 0.323 4.479 1.00 12.00 H new ATOM 1571 N PRO A 101 0.918 1.939 -0.858 1.00 12.00 N ATOM 1572 CA PRO A 101 0.012 3.111 -0.871 1.00 12.00 C ATOM 1573 C PRO A 101 -0.682 3.211 0.487 1.00 12.00 C ATOM 1574 O PRO A 101 -1.736 2.659 0.692 1.00 12.00 O ATOM 1575 CB PRO A 101 -0.949 2.819 -2.034 1.00 12.00 C ATOM 1576 CG PRO A 101 -0.862 1.297 -2.283 1.00 12.00 C ATOM 1577 CD PRO A 101 0.557 0.892 -1.848 1.00 12.00 C ATOM 0 HA PRO A 101 0.503 4.073 -1.019 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -1.967 3.116 -1.783 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -0.664 3.378 -2.926 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.617 0.761 -1.708 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -1.034 1.060 -3.333 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.574 -0.104 -1.406 1.00 12.00 H new ATOM 0 HD3 PRO A 101 1.248 0.878 -2.691 1.00 12.00 H new ATOM 1585 N VAL A 102 -0.051 3.905 1.416 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.601 4.043 2.807 1.00 12.00 C ATOM 1587 C VAL A 102 -1.611 5.182 2.868 1.00 12.00 C ATOM 1588 O VAL A 102 -2.462 5.213 3.745 1.00 12.00 O ATOM 1589 CB VAL A 102 0.561 4.353 3.776 1.00 12.00 C ATOM 1590 CG1 VAL A 102 0.024 4.710 5.173 1.00 12.00 C ATOM 1591 CG2 VAL A 102 1.481 3.135 3.889 1.00 12.00 C ATOM 0 H VAL A 102 0.835 4.387 1.263 1.00 12.00 H new ATOM 0 HA VAL A 102 -1.096 3.113 3.088 1.00 12.00 H new ATOM 0 HB VAL A 102 1.117 5.203 3.382 1.00 12.00 H new ATOM 0 HG11 VAL A 102 0.859 4.925 5.840 1.00 12.00 H new ATOM 0 HG12 VAL A 102 -0.619 5.587 5.102 1.00 12.00 H new ATOM 0 HG13 VAL A 102 -0.549 3.871 5.568 1.00 12.00 H new ATOM 0 HG21 VAL A 102 2.299 3.359 4.574 1.00 12.00 H new ATOM 0 HG22 VAL A 102 0.914 2.284 4.267 1.00 12.00 H new ATOM 0 HG23 VAL A 102 1.886 2.893 2.907 1.00 12.00 H new ATOM 1601 N HIS A 103 -1.500 6.123 1.975 1.00 12.00 N ATOM 1602 CA HIS A 103 -2.418 7.292 1.985 1.00 12.00 C ATOM 1603 C HIS A 103 -2.920 7.484 0.569 1.00 12.00 C ATOM 1604 O HIS A 103 -2.178 7.245 -0.373 1.00 12.00 O ATOM 1605 CB HIS A 103 -1.676 8.573 2.472 1.00 12.00 C ATOM 1606 CG HIS A 103 -0.202 8.298 2.742 1.00 12.00 C ATOM 1607 ND1 HIS A 103 0.796 7.800 1.939 1.00 12.00 N flip ATOM 1608 CD2 HIS A 103 0.390 8.513 3.979 1.00 12.00 C flip ATOM 1609 CE1 HIS A 103 1.975 7.706 2.653 1.00 12.00 C flip ATOM 1610 NE2 HIS A 103 1.685 8.140 3.875 1.00 12.00 N flip ATOM 0 H HIS A 103 -0.804 6.131 1.230 1.00 12.00 H new ATOM 0 HA HIS A 103 -3.248 7.115 2.670 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -1.769 9.356 1.720 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -2.150 8.946 3.380 1.00 12.00 H new ATOM 0 HD2 HIS A 103 -0.094 8.906 4.861 1.00 12.00 H new ATOM 0 HE1 HIS A 103 2.931 7.354 2.294 1.00 12.00 H new ATOM 0 HE2 HIS A 103 2.357 8.186 4.641 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.162 7.893 0.401 1.00 12.00 N ATOM 1619 CA PHE A 104 -4.679 8.076 -0.990 1.00 12.00 C ATOM 1620 C PHE A 104 -5.131 9.516 -1.218 1.00 12.00 C ATOM 1621 O PHE A 104 -5.853 10.085 -0.416 1.00 12.00 O ATOM 1622 CB PHE A 104 -5.825 7.088 -1.294 1.00 12.00 C ATOM 1623 CG PHE A 104 -5.379 6.227 -2.448 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -4.984 6.846 -3.635 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -5.297 4.839 -2.319 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -4.516 6.088 -4.696 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -4.818 4.074 -3.388 1.00 12.00 C ATOM 1628 CZ PHE A 104 -4.428 4.700 -4.577 1.00 12.00 C ATOM 0 H PHE A 104 -4.822 8.102 1.150 1.00 12.00 H new ATOM 0 HA PHE A 104 -3.862 7.863 -1.679 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -6.046 6.475 -0.420 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -6.739 7.625 -1.546 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -5.043 7.920 -3.727 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -5.601 4.359 -1.400 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -4.219 6.571 -5.615 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -4.749 3.000 -3.295 1.00 12.00 H new ATOM 0 HZ PHE A 104 -4.059 4.109 -5.402 1.00 12.00 H new ATOM 1638 N ALA A 105 -4.684 10.103 -2.312 1.00 12.00 N ATOM 1639 CA ALA A 105 -5.045 11.524 -2.634 1.00 12.00 C ATOM 1640 C ALA A 105 -6.464 11.600 -3.218 1.00 12.00 C ATOM 1641 O ALA A 105 -7.218 12.496 -2.875 1.00 12.00 O ATOM 1642 CB ALA A 105 -4.038 12.108 -3.635 1.00 12.00 C ATOM 0 H ALA A 105 -4.080 9.652 -2.999 1.00 12.00 H new ATOM 0 HA ALA A 105 -5.014 12.106 -1.713 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -4.308 13.139 -3.863 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -3.038 12.082 -3.202 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -4.052 11.518 -4.552 1.00 12.00 H new ATOM 1648 N GLY A 106 -6.840 10.667 -4.083 1.00 12.00 N ATOM 1649 CA GLY A 106 -8.223 10.690 -4.673 1.00 12.00 C ATOM 1650 C GLY A 106 -8.180 10.544 -6.202 1.00 12.00 C ATOM 1651 O GLY A 106 -7.699 9.553 -6.726 1.00 12.00 O ATOM 0 H GLY A 106 -6.249 9.899 -4.400 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -8.817 9.882 -4.245 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -8.718 11.624 -4.409 1.00 12.00 H new ATOM 1655 N ILE A 107 -8.720 11.523 -6.907 1.00 12.00 N ATOM 1656 CA ILE A 107 -8.774 11.473 -8.408 1.00 12.00 C ATOM 1657 C ILE A 107 -7.369 11.519 -9.023 1.00 12.00 C ATOM 1658 O ILE A 107 -6.371 11.545 -8.324 1.00 12.00 O ATOM 1659 CB ILE A 107 -9.596 12.657 -8.926 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -8.978 13.970 -8.437 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -11.034 12.557 -8.411 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -9.651 15.149 -9.146 1.00 12.00 C ATOM 0 H ILE A 107 -9.129 12.363 -6.497 1.00 12.00 H new ATOM 0 HA ILE A 107 -9.241 10.532 -8.700 1.00 12.00 H new ATOM 0 HB ILE A 107 -9.597 12.636 -10.016 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -9.102 14.062 -7.358 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -7.906 13.976 -8.637 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -11.613 13.402 -8.783 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -11.482 11.627 -8.762 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -11.032 12.570 -7.321 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -9.210 16.083 -8.797 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -9.504 15.058 -10.222 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -10.718 15.146 -8.924 1.00 12.00 H new ATOM 1674 N GLY A 108 -7.312 11.515 -10.343 1.00 12.00 N ATOM 1675 CA GLY A 108 -6.005 11.539 -11.081 1.00 12.00 C ATOM 1676 C GLY A 108 -5.223 12.813 -10.763 1.00 12.00 C ATOM 1677 O GLY A 108 -4.373 12.814 -9.895 1.00 12.00 O ATOM 0 H GLY A 108 -8.134 11.496 -10.946 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -5.412 10.666 -10.808 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -6.187 11.478 -12.154 1.00 12.00 H new ATOM 1681 N ARG A 109 -5.495 13.890 -11.473 1.00 12.00 N ATOM 1682 CA ARG A 109 -4.764 15.184 -11.236 1.00 12.00 C ATOM 1683 C ARG A 109 -4.769 15.519 -9.738 1.00 12.00 C ATOM 1684 O ARG A 109 -5.819 15.712 -9.145 1.00 12.00 O ATOM 1685 CB ARG A 109 -5.456 16.302 -12.020 1.00 12.00 C ATOM 1686 CG ARG A 109 -4.858 16.384 -13.428 1.00 12.00 C ATOM 1687 CD ARG A 109 -3.453 16.989 -13.352 1.00 12.00 C ATOM 1688 NE ARG A 109 -2.588 16.374 -14.400 1.00 12.00 N ATOM 1689 CZ ARG A 109 -2.764 16.681 -15.656 1.00 12.00 C ATOM 1690 NH1 ARG A 109 -3.778 16.188 -16.314 1.00 12.00 N ATOM 1691 NH2 ARG A 109 -1.925 17.479 -16.258 1.00 12.00 N ATOM 0 H ARG A 109 -6.197 13.927 -12.212 1.00 12.00 H new ATOM 0 HA ARG A 109 -3.732 15.087 -11.572 1.00 12.00 H new ATOM 0 HB2 ARG A 109 -6.527 16.110 -12.079 1.00 12.00 H new ATOM 0 HB3 ARG A 109 -5.331 17.254 -11.504 1.00 12.00 H new ATOM 0 HG2 ARG A 109 -4.814 15.391 -13.874 1.00 12.00 H new ATOM 0 HG3 ARG A 109 -5.494 16.994 -14.070 1.00 12.00 H new ATOM 0 HD2 ARG A 109 -3.502 18.069 -13.494 1.00 12.00 H new ATOM 0 HD3 ARG A 109 -3.024 16.817 -12.365 1.00 12.00 H new ATOM 0 HE ARG A 109 -1.858 15.713 -14.135 1.00 12.00 H new ATOM 0 HH11 ARG A 109 -4.434 15.562 -15.846 1.00 12.00 H new ATOM 0 HH12 ARG A 109 -3.915 16.429 -17.296 1.00 12.00 H new ATOM 0 HH21 ARG A 109 -1.131 17.863 -15.747 1.00 12.00 H new ATOM 0 HH22 ARG A 109 -2.064 17.718 -17.240 1.00 12.00 H new ATOM 1705 N CYS A 110 -3.600 15.576 -9.130 1.00 12.00 N ATOM 1706 CA CYS A 110 -3.507 15.885 -7.662 1.00 12.00 C ATOM 1707 C CYS A 110 -3.529 17.412 -7.411 1.00 12.00 C ATOM 1708 O CYS A 110 -4.208 17.842 -6.496 1.00 12.00 O ATOM 1709 CB CYS A 110 -2.240 15.272 -7.025 1.00 12.00 C ATOM 1710 SG CYS A 110 -1.747 13.747 -7.882 1.00 12.00 S ATOM 0 H CYS A 110 -2.704 15.421 -9.591 1.00 12.00 H new ATOM 0 HA CYS A 110 -4.380 15.434 -7.190 1.00 12.00 H new ATOM 0 HB2 CYS A 110 -1.424 15.994 -7.064 1.00 12.00 H new ATOM 0 HB3 CYS A 110 -2.426 15.057 -5.973 1.00 12.00 H new ATOM 1715 N PRO A 111 -2.798 18.205 -8.205 1.00 12.00 N ATOM 1716 CA PRO A 111 -2.765 19.673 -8.023 1.00 12.00 C ATOM 1717 C PRO A 111 -4.000 20.312 -8.660 1.00 12.00 C ATOM 1718 O PRO A 111 -4.776 20.909 -7.935 1.00 12.00 O ATOM 1719 CB PRO A 111 -1.496 20.108 -8.759 1.00 12.00 C ATOM 1720 CG PRO A 111 -1.192 19.002 -9.793 1.00 12.00 C ATOM 1721 CD PRO A 111 -1.951 17.743 -9.335 1.00 12.00 C ATOM 1722 OXT PRO A 111 -4.147 20.192 -9.866 1.00 12.00 O ATOM 0 HA PRO A 111 -2.765 19.971 -6.975 1.00 12.00 H new ATOM 0 HB2 PRO A 111 -1.642 21.070 -9.251 1.00 12.00 H new ATOM 0 HB3 PRO A 111 -0.665 20.229 -8.063 1.00 12.00 H new ATOM 0 HG2 PRO A 111 -1.513 19.306 -10.789 1.00 12.00 H new ATOM 0 HG3 PRO A 111 -0.121 18.809 -9.848 1.00 12.00 H new ATOM 0 HD2 PRO A 111 -2.557 17.330 -10.142 1.00 12.00 H new ATOM 0 HD3 PRO A 111 -1.263 16.958 -9.020 1.00 12.00 H new TER 1730 PRO A 111