USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 75 THR OG1 : rot 17:sc= 1.2 USER MOD Set 2.1: A 30 SER OG : rot -45:sc= -3.57! USER MOD Set 2.2: A 62 GLN : amide:sc= 3.28 K(o=-0.29,f=-13!) USER MOD Single : A 22 HIS : no HD1:sc= -0.75 K(o=-0.75,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.679 K(o=-0.68,f=-2.2!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= 1.19 (180deg=0.742) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00934) USER MOD Single : A 46 LYS NZ :NH3+ -109:sc= 0.544 (180deg=0.0621) USER MOD Single : A 48 ASN : amide:sc= -4.71! C(o=-4.7!,f=-5.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= 0.0403! (180deg=-0.331!) USER MOD Single : A 73 GLN : amide:sc= -0.0629 K(o=-0.063,f=-1.5!) USER MOD Single : A 76 ASN : amide:sc= -1.82! K(o=-1.8!,f=-0.74) USER MOD Single : A 80 ASN : amide:sc= -0.516 K(o=-0.52,f=-11!) USER MOD Single : A 81 ASN : amide:sc= -0.0676 K(o=-0.068,f=-1.4!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.617 X(o=-0.62,f=-0.94) USER MOD Single : A 88 THR OG1 : rot -81:sc= 1.04 USER MOD Single : A 93 ASN : amide:sc= -0.175 K(o=-0.18,f=-1.8!) USER MOD Single : A 96 SER OG : rot 140:sc= 0.695 USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= -0.089 (180deg=-0.408) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 3.415 -11.280 -2.603 1.00 0.00 N ATOM 2 CA GLY A 15 4.733 -11.918 -2.589 1.00 0.00 C ATOM 3 C GLY A 15 5.816 -10.915 -2.385 1.00 0.00 C ATOM 4 O GLY A 15 6.624 -10.646 -3.286 1.00 0.00 O ATOM 0 HA2 GLY A 15 4.770 -12.664 -1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.895 -12.445 -3.529 1.00 0.00 H new ATOM 8 N LEU A 16 5.892 -10.358 -1.209 1.00 0.00 N ATOM 9 CA LEU A 16 6.854 -9.345 -0.998 1.00 0.00 C ATOM 10 C LEU A 16 7.588 -9.607 0.248 1.00 0.00 C ATOM 11 O LEU A 16 7.339 -10.568 0.950 1.00 0.00 O ATOM 12 CB LEU A 16 6.274 -7.934 -0.867 1.00 0.00 C ATOM 13 CG LEU A 16 5.107 -7.539 -1.681 1.00 0.00 C ATOM 14 CD1 LEU A 16 3.878 -7.718 -0.855 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.265 -6.102 -2.088 1.00 0.00 C ATOM 0 H LEU A 16 5.308 -10.590 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 16 7.487 -9.375 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.004 -7.790 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.077 -7.231 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 16 5.030 -8.152 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.003 -7.431 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.789 -8.763 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.943 -7.091 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.409 -5.798 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.323 -5.476 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.178 -5.988 -2.672 1.00 0.00 H new ATOM 27 N ARG A 17 8.479 -8.744 0.497 1.00 0.00 N ATOM 28 CA ARG A 17 9.191 -8.689 1.691 1.00 0.00 C ATOM 29 C ARG A 17 8.524 -7.614 2.526 1.00 0.00 C ATOM 30 O ARG A 17 8.470 -7.718 3.740 1.00 0.00 O ATOM 31 CB ARG A 17 10.644 -8.319 1.426 1.00 0.00 C ATOM 32 CG ARG A 17 11.367 -9.277 0.495 1.00 0.00 C ATOM 33 CD ARG A 17 12.773 -8.786 0.191 1.00 0.00 C ATOM 34 NE ARG A 17 13.574 -8.635 1.411 1.00 0.00 N ATOM 35 CZ ARG A 17 14.677 -7.882 1.522 1.00 0.00 C ATOM 36 NH1 ARG A 17 15.184 -7.268 0.452 1.00 0.00 N ATOM 37 NH2 ARG A 17 15.269 -7.755 2.696 1.00 0.00 N ATOM 0 H ARG A 17 8.745 -8.016 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 17 9.188 -9.653 2.200 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.681 -7.317 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.177 -8.280 2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.414 -10.266 0.951 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.806 -9.380 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.265 -9.488 -0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.719 -7.830 -0.329 1.00 0.00 H new ATOM 0 HE ARG A 17 13.267 -9.143 2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.732 -7.370 -0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.024 -6.696 0.542 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.886 -8.229 3.514 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.109 -7.183 2.784 1.00 0.00 H new ATOM 51 N GLU A 18 7.948 -6.583 1.837 1.00 0.00 N ATOM 52 CA GLU A 18 7.283 -5.460 2.576 1.00 0.00 C ATOM 53 C GLU A 18 6.209 -4.764 1.736 1.00 0.00 C ATOM 54 O GLU A 18 6.381 -4.624 0.513 1.00 0.00 O ATOM 55 CB GLU A 18 8.239 -4.263 2.861 1.00 0.00 C ATOM 56 CG GLU A 18 9.573 -4.477 3.531 1.00 0.00 C ATOM 57 CD GLU A 18 9.502 -4.990 4.933 1.00 0.00 C ATOM 58 OE1 GLU A 18 8.659 -4.521 5.723 1.00 0.00 O ATOM 59 OE2 GLU A 18 10.348 -5.815 5.296 1.00 0.00 O ATOM 0 H GLU A 18 7.928 -6.504 0.820 1.00 0.00 H new ATOM 0 HA GLU A 18 6.912 -5.955 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.436 -3.777 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.685 -3.551 3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.154 -5.178 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.117 -3.532 3.533 1.00 0.00 H new ATOM 66 N ILE A 19 5.112 -4.359 2.389 1.00 0.00 N ATOM 67 CA ILE A 19 4.308 -3.248 1.911 1.00 0.00 C ATOM 68 C ILE A 19 4.172 -2.292 3.053 1.00 0.00 C ATOM 69 O ILE A 19 3.449 -2.525 4.032 1.00 0.00 O ATOM 70 CB ILE A 19 2.929 -3.600 1.313 1.00 0.00 C ATOM 71 CG1 ILE A 19 3.069 -4.150 -0.095 1.00 0.00 C ATOM 72 CG2 ILE A 19 1.952 -2.401 1.327 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.510 -3.125 -1.113 1.00 0.00 C ATOM 0 H ILE A 19 4.769 -4.789 3.248 1.00 0.00 H new ATOM 0 HA ILE A 19 4.830 -2.819 1.056 1.00 0.00 H new ATOM 0 HB ILE A 19 2.503 -4.372 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.788 -4.969 -0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.113 -4.569 -0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.998 -2.704 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.797 -2.070 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.372 -1.583 0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.587 -3.595 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.780 -2.316 -1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.482 -2.723 -0.827 1.00 0.00 H new ATOM 85 N ARG A 20 4.920 -1.277 2.972 1.00 0.00 N ATOM 86 CA ARG A 20 4.931 -0.275 3.966 1.00 0.00 C ATOM 87 C ARG A 20 4.282 0.950 3.409 1.00 0.00 C ATOM 88 O ARG A 20 4.855 1.675 2.595 1.00 0.00 O ATOM 89 CB ARG A 20 6.348 0.034 4.438 1.00 0.00 C ATOM 90 CG ARG A 20 7.071 -1.130 5.106 1.00 0.00 C ATOM 91 CD ARG A 20 8.461 -0.705 5.513 1.00 0.00 C ATOM 92 NE ARG A 20 9.224 -1.755 6.189 1.00 0.00 N ATOM 93 CZ ARG A 20 10.412 -1.548 6.779 1.00 0.00 C ATOM 94 NH1 ARG A 20 11.018 -0.360 6.666 1.00 0.00 N ATOM 95 NH2 ARG A 20 10.994 -2.519 7.468 1.00 0.00 N ATOM 0 H ARG A 20 5.561 -1.106 2.198 1.00 0.00 H new ATOM 0 HA ARG A 20 4.379 -0.630 4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.936 0.365 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.308 0.868 5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.512 -1.463 5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.126 -1.977 4.422 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.008 -0.385 4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.388 0.160 6.172 1.00 0.00 H new ATOM 0 HE ARG A 20 8.831 -2.696 6.213 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.577 0.389 6.131 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.921 -0.203 7.114 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.539 -3.428 7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.897 -2.357 7.915 1.00 0.00 H new ATOM 109 N ILE A 21 3.098 1.171 3.816 1.00 0.00 N ATOM 110 CA ILE A 21 2.368 2.302 3.371 1.00 0.00 C ATOM 111 C ILE A 21 2.814 3.473 4.123 1.00 0.00 C ATOM 112 O ILE A 21 2.719 3.498 5.321 1.00 0.00 O ATOM 113 CB ILE A 21 0.887 2.219 3.635 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.502 0.994 4.463 1.00 0.00 C ATOM 115 CG2 ILE A 21 0.110 2.305 2.331 1.00 0.00 C ATOM 116 CD1 ILE A 21 -0.872 1.087 5.051 1.00 0.00 C ATOM 0 H ILE A 21 2.597 0.573 4.472 1.00 0.00 H new ATOM 0 HA ILE A 21 2.542 2.357 2.296 1.00 0.00 H new ATOM 0 HB ILE A 21 0.613 3.079 4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.562 0.105 3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.226 0.865 5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.958 2.244 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.330 3.252 1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.401 1.481 1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.083 0.186 5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.930 1.957 5.705 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.605 1.186 4.250 1.00 0.00 H new ATOM 128 N HIS A 22 3.289 4.423 3.460 1.00 0.00 N ATOM 129 CA HIS A 22 3.638 5.623 4.122 1.00 0.00 C ATOM 130 C HIS A 22 2.411 6.482 4.025 1.00 0.00 C ATOM 131 O HIS A 22 2.008 6.841 2.914 1.00 0.00 O ATOM 132 CB HIS A 22 4.830 6.295 3.423 1.00 0.00 C ATOM 133 CG HIS A 22 6.111 5.501 3.426 1.00 0.00 C ATOM 134 ND1 HIS A 22 6.977 5.454 2.348 1.00 0.00 N ATOM 135 CD2 HIS A 22 6.695 4.759 4.395 1.00 0.00 C ATOM 136 CE1 HIS A 22 8.020 4.716 2.663 1.00 0.00 C ATOM 137 NE2 HIS A 22 7.880 4.287 3.894 1.00 0.00 N ATOM 0 H HIS A 22 3.453 4.412 2.453 1.00 0.00 H new ATOM 0 HA HIS A 22 3.940 5.454 5.156 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.553 6.503 2.389 1.00 0.00 H new ATOM 0 HB3 HIS A 22 5.017 7.256 3.903 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.300 4.573 5.383 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.855 4.499 2.013 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.544 3.698 4.397 1.00 0.00 H new ATOM 146 N LEU A 23 1.841 6.838 5.154 1.00 0.00 N ATOM 147 CA LEU A 23 0.580 7.534 5.158 1.00 0.00 C ATOM 148 C LEU A 23 0.706 9.017 5.534 1.00 0.00 C ATOM 149 O LEU A 23 1.359 9.796 4.815 1.00 0.00 O ATOM 150 CB LEU A 23 -0.446 6.790 6.064 1.00 0.00 C ATOM 151 CG LEU A 23 -1.879 7.365 6.131 1.00 0.00 C ATOM 152 CD1 LEU A 23 -2.543 7.349 4.774 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.712 6.620 7.159 1.00 0.00 C ATOM 0 H LEU A 23 2.232 6.656 6.078 1.00 0.00 H new ATOM 0 HA LEU A 23 0.208 7.527 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.512 5.757 5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.045 6.764 7.077 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.806 8.406 6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.549 7.760 4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.961 7.952 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.599 6.324 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.716 7.042 7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.769 5.566 6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.249 6.716 8.141 1.00 0.00 H new ATOM 165 N CYS A 24 0.183 9.330 6.720 1.00 0.00 N ATOM 166 CA CYS A 24 -0.020 10.677 7.268 1.00 0.00 C ATOM 167 C CYS A 24 -1.228 11.343 6.651 1.00 0.00 C ATOM 168 O CYS A 24 -1.682 10.971 5.579 1.00 0.00 O ATOM 169 CB CYS A 24 1.172 11.617 7.101 1.00 0.00 C ATOM 170 SG CYS A 24 2.678 11.146 7.968 1.00 0.00 S ATOM 0 H CYS A 24 -0.131 8.606 7.366 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.163 10.511 8.336 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.399 11.698 6.038 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.877 12.610 7.441 1.00 0.00 H new ATOM 175 N GLN A 25 -1.778 12.263 7.373 1.00 0.00 N ATOM 176 CA GLN A 25 -2.754 13.179 6.862 1.00 0.00 C ATOM 177 C GLN A 25 -2.233 14.545 7.182 1.00 0.00 C ATOM 178 O GLN A 25 -2.601 15.155 8.194 1.00 0.00 O ATOM 179 CB GLN A 25 -4.180 12.985 7.425 1.00 0.00 C ATOM 180 CG GLN A 25 -4.968 11.794 6.870 1.00 0.00 C ATOM 181 CD GLN A 25 -4.507 10.417 7.336 1.00 0.00 C ATOM 182 OE1 GLN A 25 -4.631 9.443 6.606 1.00 0.00 O ATOM 183 NE2 GLN A 25 -4.055 10.304 8.560 1.00 0.00 N ATOM 0 H GLN A 25 -1.558 12.405 8.359 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.876 13.010 5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.110 12.875 8.507 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.751 13.893 7.233 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.016 11.917 7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.917 11.824 5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.961 11.132 9.148 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.797 9.388 8.926 1.00 0.00 H new ATOM 192 N ARG A 26 -1.298 14.978 6.384 1.00 0.00 N ATOM 193 CA ARG A 26 -0.579 16.201 6.650 1.00 0.00 C ATOM 194 C ARG A 26 -0.453 17.006 5.366 1.00 0.00 C ATOM 195 O ARG A 26 -0.584 18.222 5.374 1.00 0.00 O ATOM 196 CB ARG A 26 0.817 15.829 7.230 1.00 0.00 C ATOM 197 CG ARG A 26 1.630 16.954 7.904 1.00 0.00 C ATOM 198 CD ARG A 26 2.118 18.027 6.940 1.00 0.00 C ATOM 199 NE ARG A 26 2.953 19.022 7.611 1.00 0.00 N ATOM 200 CZ ARG A 26 3.173 20.262 7.179 1.00 0.00 C ATOM 201 NH1 ARG A 26 2.546 20.728 6.106 1.00 0.00 N ATOM 202 NH2 ARG A 26 4.031 21.043 7.815 1.00 0.00 N ATOM 0 H ARG A 26 -1.010 14.498 5.532 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.111 16.817 7.375 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.677 15.032 7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.419 15.417 6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.015 17.423 8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.490 16.514 8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.685 17.561 6.134 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.261 18.521 6.482 1.00 0.00 H new ATOM 0 HE ARG A 26 3.404 18.743 8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.887 20.134 5.602 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.723 21.680 5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.525 20.695 8.637 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.199 21.993 7.483 1.00 0.00 H new ATOM 216 N SER A 27 -0.194 16.339 4.280 1.00 0.00 N ATOM 217 CA SER A 27 -0.026 17.005 3.035 1.00 0.00 C ATOM 218 C SER A 27 -1.279 16.759 2.136 1.00 0.00 C ATOM 219 O SER A 27 -2.199 16.091 2.605 1.00 0.00 O ATOM 220 CB SER A 27 1.289 16.504 2.428 1.00 0.00 C ATOM 221 OG SER A 27 2.379 16.804 3.302 1.00 0.00 O ATOM 0 H SER A 27 -0.095 15.325 4.238 1.00 0.00 H new ATOM 0 HA SER A 27 0.045 18.087 3.144 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.234 15.429 2.259 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.452 16.972 1.457 1.00 0.00 H new ATOM 0 HG SER A 27 3.215 16.479 2.907 1.00 0.00 H new ATOM 227 N PRO A 28 -1.324 17.372 0.881 1.00 0.00 N ATOM 228 CA PRO A 28 -2.381 17.289 -0.208 1.00 0.00 C ATOM 229 C PRO A 28 -3.478 16.136 -0.309 1.00 0.00 C ATOM 230 O PRO A 28 -4.156 16.048 -1.345 1.00 0.00 O ATOM 231 CB PRO A 28 -1.476 17.285 -1.429 1.00 0.00 C ATOM 232 CG PRO A 28 -0.502 18.360 -1.120 1.00 0.00 C ATOM 233 CD PRO A 28 -0.297 18.337 0.387 1.00 0.00 C ATOM 0 HA PRO A 28 -3.100 18.089 -0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.985 16.321 -1.565 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.031 17.493 -2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.440 18.192 -1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.878 19.330 -1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.711 18.014 0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.437 19.326 0.823 1.00 0.00 H new ATOM 241 N GLY A 29 -3.673 15.325 0.693 1.00 0.00 N ATOM 242 CA GLY A 29 -4.753 14.341 0.687 1.00 0.00 C ATOM 243 C GLY A 29 -4.361 12.985 0.133 1.00 0.00 C ATOM 244 O GLY A 29 -3.451 12.877 -0.690 1.00 0.00 O ATOM 0 H GLY A 29 -3.100 15.316 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.117 14.212 1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.583 14.734 0.100 1.00 0.00 H new ATOM 248 N SER A 30 -5.007 11.936 0.631 1.00 0.00 N ATOM 249 CA SER A 30 -4.792 10.581 0.151 1.00 0.00 C ATOM 250 C SER A 30 -6.030 9.709 0.328 1.00 0.00 C ATOM 251 O SER A 30 -6.294 9.164 1.405 1.00 0.00 O ATOM 252 CB SER A 30 -3.674 9.950 0.862 1.00 0.00 C ATOM 253 OG SER A 30 -2.512 10.664 0.694 1.00 0.00 O ATOM 0 H SER A 30 -5.695 12.005 1.381 1.00 0.00 H new ATOM 0 HA SER A 30 -4.566 10.661 -0.912 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.909 9.878 1.924 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.535 8.933 0.496 1.00 0.00 H new ATOM 0 HG SER A 30 -2.415 10.913 -0.249 1.00 0.00 H new ATOM 259 N GLN A 31 -6.681 9.498 -0.742 1.00 0.00 N ATOM 260 CA GLN A 31 -7.991 8.892 -0.756 1.00 0.00 C ATOM 261 C GLN A 31 -7.902 7.422 -0.983 1.00 0.00 C ATOM 262 O GLN A 31 -8.555 6.643 -0.283 1.00 0.00 O ATOM 263 CB GLN A 31 -8.905 9.582 -1.771 1.00 0.00 C ATOM 264 CG GLN A 31 -8.356 9.572 -3.187 1.00 0.00 C ATOM 265 CD GLN A 31 -9.203 10.330 -4.151 1.00 0.00 C ATOM 266 OE1 GLN A 31 -10.108 9.783 -4.768 1.00 0.00 O ATOM 267 NE2 GLN A 31 -8.933 11.586 -4.283 1.00 0.00 N ATOM 0 H GLN A 31 -6.329 9.740 -1.668 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.442 9.033 0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.878 9.091 -1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.066 10.614 -1.460 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.352 9.997 -3.183 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.264 8.540 -3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.170 12.002 -3.750 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.483 12.162 -4.921 1.00 0.00 H new ATOM 276 N GLY A 32 -7.065 7.042 -1.966 1.00 0.00 N ATOM 277 CA GLY A 32 -6.860 5.656 -2.270 1.00 0.00 C ATOM 278 C GLY A 32 -6.382 4.955 -1.059 1.00 0.00 C ATOM 279 O GLY A 32 -6.925 3.890 -0.668 1.00 0.00 O ATOM 0 H GLY A 32 -6.532 7.689 -2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.790 5.208 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.133 5.552 -3.075 1.00 0.00 H new ATOM 283 N VAL A 33 -5.431 5.596 -0.371 1.00 0.00 N ATOM 284 CA VAL A 33 -4.974 4.987 0.837 1.00 0.00 C ATOM 285 C VAL A 33 -5.994 5.070 1.886 1.00 0.00 C ATOM 286 O VAL A 33 -6.312 4.089 2.374 1.00 0.00 O ATOM 287 CB VAL A 33 -3.583 5.366 1.405 1.00 0.00 C ATOM 288 CG1 VAL A 33 -2.470 4.687 0.667 1.00 0.00 C ATOM 289 CG2 VAL A 33 -3.379 6.829 1.422 1.00 0.00 C ATOM 0 H VAL A 33 -4.997 6.483 -0.626 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.807 3.963 0.504 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.563 5.010 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.514 4.982 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.587 3.606 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.499 4.978 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.392 7.054 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.452 7.218 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.142 7.296 2.045 1.00 0.00 H new ATOM 299 N ARG A 34 -6.529 6.265 2.200 1.00 0.00 N ATOM 300 CA ARG A 34 -7.559 6.440 3.268 1.00 0.00 C ATOM 301 C ARG A 34 -8.575 5.326 3.255 1.00 0.00 C ATOM 302 O ARG A 34 -8.762 4.652 4.240 1.00 0.00 O ATOM 303 CB ARG A 34 -8.304 7.740 3.102 1.00 0.00 C ATOM 304 CG ARG A 34 -8.917 8.234 4.401 1.00 0.00 C ATOM 305 CD ARG A 34 -9.557 9.596 4.258 1.00 0.00 C ATOM 306 NE ARG A 34 -10.757 9.592 3.414 1.00 0.00 N ATOM 307 CZ ARG A 34 -11.803 10.413 3.600 1.00 0.00 C ATOM 308 NH1 ARG A 34 -11.728 11.405 4.479 1.00 0.00 N ATOM 309 NH2 ARG A 34 -12.895 10.269 2.880 1.00 0.00 N ATOM 0 H ARG A 34 -6.270 7.134 1.732 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.016 6.433 4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.623 8.498 2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.091 7.611 2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.666 7.518 4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.145 8.278 5.170 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.819 9.971 5.247 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.828 10.289 3.837 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.799 8.927 2.641 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.873 11.546 5.017 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.525 12.026 4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.949 9.532 2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.687 10.895 3.025 1.00 0.00 H new ATOM 323 N ASP A 35 -9.187 5.110 2.121 1.00 0.00 N ATOM 324 CA ASP A 35 -10.158 4.033 1.985 1.00 0.00 C ATOM 325 C ASP A 35 -9.524 2.700 2.203 1.00 0.00 C ATOM 326 O ASP A 35 -10.066 1.882 2.911 1.00 0.00 O ATOM 327 CB ASP A 35 -10.872 4.063 0.656 1.00 0.00 C ATOM 328 CG ASP A 35 -11.998 5.059 0.589 1.00 0.00 C ATOM 329 OD1 ASP A 35 -13.065 4.813 1.172 1.00 0.00 O ATOM 330 OD2 ASP A 35 -11.839 6.113 -0.057 1.00 0.00 O ATOM 0 H ASP A 35 -9.038 5.659 1.274 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.906 4.195 2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.150 4.293 -0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.266 3.069 0.444 1.00 0.00 H new ATOM 335 N PHE A 36 -8.389 2.480 1.614 1.00 0.00 N ATOM 336 CA PHE A 36 -7.642 1.276 1.885 1.00 0.00 C ATOM 337 C PHE A 36 -7.355 1.144 3.416 1.00 0.00 C ATOM 338 O PHE A 36 -7.815 0.230 4.036 1.00 0.00 O ATOM 339 CB PHE A 36 -6.416 1.255 0.936 1.00 0.00 C ATOM 340 CG PHE A 36 -5.107 0.693 1.397 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.336 1.396 2.289 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.591 -0.477 0.849 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.100 0.940 2.642 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.339 -0.914 1.185 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.592 -0.208 2.085 1.00 0.00 C ATOM 0 H PHE A 36 -7.955 3.113 0.943 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.204 0.369 1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.709 0.699 0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.233 2.283 0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.710 2.316 2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.186 -1.047 0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.515 1.487 3.367 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.942 -1.815 0.740 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.605 -0.552 2.358 1.00 0.00 H new ATOM 355 N ILE A 37 -6.795 2.171 3.977 1.00 0.00 N ATOM 356 CA ILE A 37 -6.361 2.284 5.403 1.00 0.00 C ATOM 357 C ILE A 37 -7.568 2.073 6.370 1.00 0.00 C ATOM 358 O ILE A 37 -7.436 1.529 7.464 1.00 0.00 O ATOM 359 CB ILE A 37 -5.871 3.756 5.754 1.00 0.00 C ATOM 360 CG1 ILE A 37 -4.829 4.406 4.826 1.00 0.00 C ATOM 361 CG2 ILE A 37 -5.425 3.900 7.194 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.546 3.687 4.634 1.00 0.00 C ATOM 0 H ILE A 37 -6.601 3.023 3.450 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.574 1.539 5.522 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.787 4.320 5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.288 4.543 3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.604 5.399 5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.102 4.925 7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.255 3.659 7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.596 3.219 7.388 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.908 4.256 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.046 3.572 5.596 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.741 2.703 4.207 1.00 0.00 H new ATOM 374 N GLU A 38 -8.704 2.547 5.948 1.00 0.00 N ATOM 375 CA GLU A 38 -9.868 2.711 6.803 1.00 0.00 C ATOM 376 C GLU A 38 -10.904 1.664 6.539 1.00 0.00 C ATOM 377 O GLU A 38 -11.269 0.892 7.412 1.00 0.00 O ATOM 378 CB GLU A 38 -10.428 4.141 6.620 1.00 0.00 C ATOM 379 CG GLU A 38 -11.751 4.431 7.281 1.00 0.00 C ATOM 380 CD GLU A 38 -12.164 5.880 7.134 1.00 0.00 C ATOM 381 OE1 GLU A 38 -11.485 6.775 7.699 1.00 0.00 O ATOM 382 OE2 GLU A 38 -13.171 6.152 6.450 1.00 0.00 O ATOM 0 H GLU A 38 -8.861 2.839 4.983 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.569 2.579 7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.692 4.848 7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.530 4.334 5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.519 3.791 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.688 4.180 8.340 1.00 0.00 H new ATOM 389 N LYS A 39 -11.343 1.629 5.317 1.00 0.00 N ATOM 390 CA LYS A 39 -12.406 0.766 4.887 1.00 0.00 C ATOM 391 C LYS A 39 -11.868 -0.617 4.643 1.00 0.00 C ATOM 392 O LYS A 39 -12.561 -1.616 4.856 1.00 0.00 O ATOM 393 CB LYS A 39 -12.965 1.273 3.555 1.00 0.00 C ATOM 394 CG LYS A 39 -13.365 2.738 3.513 1.00 0.00 C ATOM 395 CD LYS A 39 -14.612 3.036 4.307 1.00 0.00 C ATOM 396 CE LYS A 39 -14.947 4.521 4.238 1.00 0.00 C ATOM 397 NZ LYS A 39 -15.111 5.014 2.849 1.00 0.00 N ATOM 0 H LYS A 39 -10.964 2.213 4.572 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.177 0.752 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.218 1.099 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.837 0.672 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.544 3.343 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.522 3.035 2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.446 2.451 3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.469 2.737 5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.866 4.707 4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.157 5.089 4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.682 5.883 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.177 5.216 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.590 4.289 2.278 1.00 0.00 H new ATOM 411 N ARG A 40 -10.623 -0.700 4.209 1.00 0.00 N ATOM 412 CA ARG A 40 -10.144 -1.946 3.763 1.00 0.00 C ATOM 413 C ARG A 40 -9.126 -2.565 4.700 1.00 0.00 C ATOM 414 O ARG A 40 -9.030 -3.716 4.706 1.00 0.00 O ATOM 415 CB ARG A 40 -9.569 -1.796 2.345 1.00 0.00 C ATOM 416 CG ARG A 40 -9.110 -3.086 1.684 1.00 0.00 C ATOM 417 CD ARG A 40 -10.264 -4.013 1.328 1.00 0.00 C ATOM 418 NE ARG A 40 -11.228 -3.373 0.421 1.00 0.00 N ATOM 419 CZ ARG A 40 -11.509 -3.764 -0.840 1.00 0.00 C ATOM 420 NH1 ARG A 40 -10.824 -4.744 -1.425 1.00 0.00 N ATOM 421 NH2 ARG A 40 -12.466 -3.139 -1.497 1.00 0.00 N ATOM 0 H ARG A 40 -9.959 0.073 4.165 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.989 -2.634 3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.326 -1.334 1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.724 -1.109 2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.551 -2.846 0.779 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.425 -3.607 2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.872 -4.916 0.861 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.775 -4.322 2.240 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.730 -2.560 0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.072 -5.213 -0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.051 -5.026 -2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.977 -2.377 -1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.695 -3.417 -2.451 1.00 0.00 H new ATOM 435 N TYR A 41 -8.446 -1.785 5.533 1.00 0.00 N ATOM 436 CA TYR A 41 -7.249 -2.281 6.357 1.00 0.00 C ATOM 437 C TYR A 41 -7.304 -3.737 6.852 1.00 0.00 C ATOM 438 O TYR A 41 -6.451 -4.541 6.501 1.00 0.00 O ATOM 439 CB TYR A 41 -7.021 -1.403 7.569 1.00 0.00 C ATOM 440 CG TYR A 41 -5.764 -1.724 8.365 1.00 0.00 C ATOM 441 CD1 TYR A 41 -4.518 -1.231 7.991 1.00 0.00 C ATOM 442 CD2 TYR A 41 -5.834 -2.544 9.487 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.384 -1.548 8.717 1.00 0.00 C ATOM 444 CE2 TYR A 41 -4.719 -2.867 10.210 1.00 0.00 C ATOM 445 CZ TYR A 41 -3.489 -2.369 9.825 1.00 0.00 C ATOM 446 OH TYR A 41 -2.357 -2.692 10.553 1.00 0.00 O ATOM 0 H TYR A 41 -8.670 -0.802 5.685 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.432 -2.228 5.637 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.972 -0.364 7.243 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.884 -1.489 8.230 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.435 -0.593 7.123 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.793 -2.935 9.795 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.422 -1.157 8.420 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.799 -3.507 11.076 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.604 -3.276 11.300 1.00 0.00 H new ATOM 456 N VAL A 42 -8.231 -4.046 7.675 1.00 0.00 N ATOM 457 CA VAL A 42 -8.315 -5.384 8.235 1.00 0.00 C ATOM 458 C VAL A 42 -8.673 -6.422 7.147 1.00 0.00 C ATOM 459 O VAL A 42 -8.142 -7.536 7.118 1.00 0.00 O ATOM 460 CB VAL A 42 -9.264 -5.381 9.453 1.00 0.00 C ATOM 461 CG1 VAL A 42 -10.472 -4.537 9.147 1.00 0.00 C ATOM 462 CG2 VAL A 42 -9.653 -6.792 9.885 1.00 0.00 C ATOM 0 H VAL A 42 -8.957 -3.404 7.992 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.339 -5.695 8.607 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.735 -4.944 10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.142 -4.535 10.007 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.157 -3.516 8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.993 -4.948 8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.321 -6.738 10.745 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.160 -7.298 9.063 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.757 -7.350 10.156 1.00 0.00 H new ATOM 472 N GLU A 43 -9.470 -5.993 6.204 1.00 0.00 N ATOM 473 CA GLU A 43 -9.841 -6.793 5.045 1.00 0.00 C ATOM 474 C GLU A 43 -8.631 -6.877 4.131 1.00 0.00 C ATOM 475 O GLU A 43 -8.502 -7.788 3.425 1.00 0.00 O ATOM 476 CB GLU A 43 -10.963 -6.089 4.273 1.00 0.00 C ATOM 477 CG GLU A 43 -12.144 -5.608 5.104 1.00 0.00 C ATOM 478 CD GLU A 43 -13.002 -6.720 5.603 1.00 0.00 C ATOM 479 OE1 GLU A 43 -13.855 -7.210 4.826 1.00 0.00 O ATOM 480 OE2 GLU A 43 -12.850 -7.140 6.753 1.00 0.00 O ATOM 0 H GLU A 43 -9.891 -5.064 6.211 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.172 -7.781 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.537 -5.231 3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.336 -6.772 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.773 -5.035 5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.751 -4.931 4.503 1.00 0.00 H new ATOM 487 N LEU A 44 -7.764 -5.891 4.183 1.00 0.00 N ATOM 488 CA LEU A 44 -6.569 -5.821 3.389 1.00 0.00 C ATOM 489 C LEU A 44 -5.584 -6.829 3.893 1.00 0.00 C ATOM 490 O LEU A 44 -5.030 -7.621 3.131 1.00 0.00 O ATOM 491 CB LEU A 44 -6.046 -4.396 3.538 1.00 0.00 C ATOM 492 CG LEU A 44 -4.620 -4.108 3.189 1.00 0.00 C ATOM 493 CD1 LEU A 44 -4.387 -4.204 1.727 1.00 0.00 C ATOM 494 CD2 LEU A 44 -4.213 -2.771 3.762 1.00 0.00 C ATOM 0 H LEU A 44 -7.881 -5.090 4.803 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.749 -6.047 2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.672 -3.749 2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.198 -4.096 4.575 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.982 -4.868 3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.341 -3.989 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.629 -5.210 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.020 -3.483 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.174 -2.566 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.850 -1.989 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.321 -2.792 4.846 1.00 0.00 H new ATOM 506 N LYS A 45 -5.424 -6.820 5.177 1.00 0.00 N ATOM 507 CA LYS A 45 -4.540 -7.704 5.854 1.00 0.00 C ATOM 508 C LYS A 45 -5.046 -9.150 5.729 1.00 0.00 C ATOM 509 O LYS A 45 -4.254 -10.094 5.643 1.00 0.00 O ATOM 510 CB LYS A 45 -4.418 -7.240 7.314 1.00 0.00 C ATOM 511 CG LYS A 45 -3.509 -8.051 8.217 1.00 0.00 C ATOM 512 CD LYS A 45 -3.351 -7.335 9.552 1.00 0.00 C ATOM 513 CE LYS A 45 -2.522 -8.126 10.555 1.00 0.00 C ATOM 514 NZ LYS A 45 -3.228 -9.327 11.047 1.00 0.00 N ATOM 0 H LYS A 45 -5.919 -6.179 5.797 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.546 -7.685 5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.064 -6.209 7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.416 -7.235 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.927 -9.046 8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.535 -8.184 7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.882 -6.365 9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.337 -7.143 9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.583 -8.425 10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.270 -7.485 11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.652 -9.794 11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.144 -9.049 11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.386 -9.985 10.257 1.00 0.00 H new ATOM 528 N LYS A 46 -6.364 -9.322 5.683 1.00 0.00 N ATOM 529 CA LYS A 46 -6.916 -10.647 5.533 1.00 0.00 C ATOM 530 C LYS A 46 -6.969 -11.047 4.052 1.00 0.00 C ATOM 531 O LYS A 46 -6.926 -12.239 3.723 1.00 0.00 O ATOM 532 CB LYS A 46 -8.337 -10.717 6.120 1.00 0.00 C ATOM 533 CG LYS A 46 -9.445 -10.249 5.177 1.00 0.00 C ATOM 534 CD LYS A 46 -10.783 -10.173 5.881 1.00 0.00 C ATOM 535 CE LYS A 46 -11.888 -9.906 4.889 1.00 0.00 C ATOM 536 NZ LYS A 46 -13.222 -9.992 5.502 1.00 0.00 N ATOM 0 H LYS A 46 -7.051 -8.571 5.747 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.268 -11.337 6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.542 -11.746 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.371 -10.112 7.026 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.190 -9.269 4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.517 -10.933 4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.977 -11.107 6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.761 -9.383 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.753 -8.915 4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.820 -10.623 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.706 -10.847 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.126 -10.037 6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.778 -9.153 5.242 1.00 0.00 H new ATOM 550 N ALA A 47 -7.056 -10.053 3.157 1.00 0.00 N ATOM 551 CA ALA A 47 -7.283 -10.341 1.767 1.00 0.00 C ATOM 552 C ALA A 47 -6.030 -10.787 1.080 1.00 0.00 C ATOM 553 O ALA A 47 -6.044 -11.698 0.243 1.00 0.00 O ATOM 554 CB ALA A 47 -7.807 -9.148 1.014 1.00 0.00 C ATOM 0 H ALA A 47 -6.972 -9.062 3.383 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.025 -11.139 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.962 -9.417 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.753 -8.829 1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.086 -8.333 1.076 1.00 0.00 H new ATOM 560 N ASN A 48 -4.946 -10.139 1.437 1.00 0.00 N ATOM 561 CA ASN A 48 -3.678 -10.332 0.824 1.00 0.00 C ATOM 562 C ASN A 48 -2.734 -10.707 1.971 1.00 0.00 C ATOM 563 O ASN A 48 -2.115 -9.853 2.579 1.00 0.00 O ATOM 564 CB ASN A 48 -3.173 -9.012 0.135 1.00 0.00 C ATOM 565 CG ASN A 48 -4.122 -8.320 -0.902 1.00 0.00 C ATOM 566 OD1 ASN A 48 -5.336 -8.487 -0.887 1.00 0.00 O ATOM 567 ND2 ASN A 48 -3.568 -7.450 -1.753 1.00 0.00 N ATOM 0 H ASN A 48 -4.935 -9.446 2.185 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.725 -11.096 0.048 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.950 -8.289 0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.233 -9.236 -0.369 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.157 -6.920 -2.396 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.557 -7.316 -1.760 1.00 0.00 H new ATOM 574 N PRO A 49 -2.740 -11.981 2.371 1.00 0.00 N ATOM 575 CA PRO A 49 -1.915 -12.488 3.498 1.00 0.00 C ATOM 576 C PRO A 49 -0.461 -12.523 3.116 1.00 0.00 C ATOM 577 O PRO A 49 0.438 -12.259 3.904 1.00 0.00 O ATOM 578 CB PRO A 49 -2.451 -13.903 3.688 1.00 0.00 C ATOM 579 CG PRO A 49 -2.941 -14.268 2.334 1.00 0.00 C ATOM 580 CD PRO A 49 -3.571 -13.030 1.792 1.00 0.00 C ATOM 0 HA PRO A 49 -1.976 -11.872 4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.673 -14.585 4.032 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.251 -13.934 4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.122 -14.603 1.697 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.661 -15.085 2.384 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.553 -13.008 0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.614 -12.937 2.096 1.00 0.00 H new ATOM 588 N ASP A 50 -0.272 -12.807 1.876 1.00 0.00 N ATOM 589 CA ASP A 50 1.034 -12.845 1.211 1.00 0.00 C ATOM 590 C ASP A 50 1.484 -11.390 0.842 1.00 0.00 C ATOM 591 O ASP A 50 2.335 -11.138 -0.033 1.00 0.00 O ATOM 592 CB ASP A 50 0.920 -13.773 -0.019 1.00 0.00 C ATOM 593 CG ASP A 50 2.177 -13.894 -0.840 1.00 0.00 C ATOM 594 OD1 ASP A 50 3.217 -14.365 -0.318 1.00 0.00 O ATOM 595 OD2 ASP A 50 2.160 -13.503 -2.024 1.00 0.00 O ATOM 0 H ASP A 50 -1.042 -13.033 1.247 1.00 0.00 H new ATOM 0 HA ASP A 50 1.805 -13.247 1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.627 -14.767 0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.119 -13.406 -0.660 1.00 0.00 H new ATOM 600 N LEU A 51 0.933 -10.449 1.560 1.00 0.00 N ATOM 601 CA LEU A 51 1.240 -9.070 1.411 1.00 0.00 C ATOM 602 C LEU A 51 1.541 -8.520 2.820 1.00 0.00 C ATOM 603 O LEU A 51 0.638 -8.450 3.644 1.00 0.00 O ATOM 604 CB LEU A 51 -0.003 -8.341 0.785 1.00 0.00 C ATOM 605 CG LEU A 51 0.142 -6.871 0.297 1.00 0.00 C ATOM 606 CD1 LEU A 51 -1.153 -6.328 -0.212 1.00 0.00 C ATOM 607 CD2 LEU A 51 0.668 -5.952 1.335 1.00 0.00 C ATOM 0 H LEU A 51 0.239 -10.636 2.284 1.00 0.00 H new ATOM 0 HA LEU A 51 2.097 -8.912 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.338 -8.936 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.803 -8.363 1.525 1.00 0.00 H new ATOM 0 HG LEU A 51 0.870 -6.917 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.011 -5.299 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.498 -6.935 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.896 -6.353 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.743 -4.945 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.006 -5.946 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.655 -6.289 1.653 1.00 0.00 H new ATOM 619 N PRO A 52 2.821 -8.232 3.153 1.00 0.00 N ATOM 620 CA PRO A 52 3.166 -7.543 4.397 1.00 0.00 C ATOM 621 C PRO A 52 2.463 -6.225 4.532 1.00 0.00 C ATOM 622 O PRO A 52 2.712 -5.310 3.752 1.00 0.00 O ATOM 623 CB PRO A 52 4.614 -7.228 4.271 1.00 0.00 C ATOM 624 CG PRO A 52 5.167 -8.143 3.257 1.00 0.00 C ATOM 625 CD PRO A 52 4.018 -8.651 2.421 1.00 0.00 C ATOM 0 HA PRO A 52 2.895 -8.167 5.248 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.758 -6.189 3.973 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.122 -7.359 5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.895 -7.626 2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.689 -8.973 3.734 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.039 -8.226 1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.056 -9.735 2.310 1.00 0.00 H new ATOM 633 N ILE A 53 1.705 -6.105 5.564 1.00 0.00 N ATOM 634 CA ILE A 53 0.860 -4.928 5.771 1.00 0.00 C ATOM 635 C ILE A 53 1.460 -4.075 6.899 1.00 0.00 C ATOM 636 O ILE A 53 1.267 -4.383 8.091 1.00 0.00 O ATOM 637 CB ILE A 53 -0.627 -5.327 6.161 1.00 0.00 C ATOM 638 CG1 ILE A 53 -1.287 -6.278 5.125 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.513 -4.087 6.369 1.00 0.00 C ATOM 640 CD1 ILE A 53 -1.611 -5.662 3.770 1.00 0.00 C ATOM 0 H ILE A 53 1.636 -6.806 6.302 1.00 0.00 H new ATOM 0 HA ILE A 53 0.825 -4.370 4.835 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.549 -5.867 7.104 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.624 -7.128 4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.209 -6.669 5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.522 -4.401 6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.101 -3.476 7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.545 -3.504 5.449 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.068 -6.415 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.304 -4.831 3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.694 -5.298 3.307 1.00 0.00 H new ATOM 652 N LEU A 54 2.227 -3.062 6.537 1.00 0.00 N ATOM 653 CA LEU A 54 2.843 -2.171 7.516 1.00 0.00 C ATOM 654 C LEU A 54 2.414 -0.737 7.263 1.00 0.00 C ATOM 655 O LEU A 54 2.749 -0.165 6.235 1.00 0.00 O ATOM 656 CB LEU A 54 4.401 -2.224 7.478 1.00 0.00 C ATOM 657 CG LEU A 54 5.118 -3.549 7.812 1.00 0.00 C ATOM 658 CD1 LEU A 54 4.634 -4.137 9.117 1.00 0.00 C ATOM 659 CD2 LEU A 54 5.037 -4.553 6.676 1.00 0.00 C ATOM 0 H LEU A 54 2.442 -2.831 5.567 1.00 0.00 H new ATOM 0 HA LEU A 54 2.508 -2.513 8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.715 -1.924 6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.772 -1.467 8.169 1.00 0.00 H new ATOM 0 HG LEU A 54 6.173 -3.308 7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.164 -5.069 9.315 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.824 -3.432 9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.564 -4.335 9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.557 -5.468 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.992 -4.780 6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.504 -4.133 5.785 1.00 0.00 H new ATOM 671 N ILE A 55 1.686 -0.166 8.186 1.00 0.00 N ATOM 672 CA ILE A 55 1.266 1.211 8.094 1.00 0.00 C ATOM 673 C ILE A 55 2.368 2.074 8.698 1.00 0.00 C ATOM 674 O ILE A 55 2.761 1.893 9.849 1.00 0.00 O ATOM 675 CB ILE A 55 -0.140 1.439 8.784 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.547 2.923 8.820 1.00 0.00 C ATOM 677 CG2 ILE A 55 -0.213 0.823 10.174 1.00 0.00 C ATOM 678 CD1 ILE A 55 -0.630 3.577 7.467 1.00 0.00 C ATOM 0 H ILE A 55 1.365 -0.644 9.028 1.00 0.00 H new ATOM 0 HA ILE A 55 1.120 1.495 7.052 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.863 0.918 8.156 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.516 3.010 9.312 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.171 3.470 9.431 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.198 1.008 10.603 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.043 -0.252 10.105 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.550 1.271 10.811 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.923 4.620 7.585 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.343 3.526 6.978 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.370 3.059 6.857 1.00 0.00 H new ATOM 690 N ARG A 56 2.917 2.919 7.886 1.00 0.00 N ATOM 691 CA ARG A 56 4.067 3.756 8.233 1.00 0.00 C ATOM 692 C ARG A 56 3.784 5.243 8.053 1.00 0.00 C ATOM 693 O ARG A 56 2.747 5.641 7.509 1.00 0.00 O ATOM 694 CB ARG A 56 5.279 3.377 7.385 1.00 0.00 C ATOM 695 CG ARG A 56 5.777 1.933 7.558 1.00 0.00 C ATOM 696 CD ARG A 56 6.437 1.693 8.924 1.00 0.00 C ATOM 697 NE ARG A 56 5.515 1.832 10.058 1.00 0.00 N ATOM 698 CZ ARG A 56 5.856 2.186 11.303 1.00 0.00 C ATOM 699 NH1 ARG A 56 7.102 2.539 11.589 1.00 0.00 N ATOM 700 NH2 ARG A 56 4.937 2.201 12.252 1.00 0.00 N ATOM 0 H ARG A 56 2.584 3.065 6.933 1.00 0.00 H new ATOM 0 HA ARG A 56 4.273 3.576 9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.031 3.535 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.096 4.057 7.625 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.938 1.247 7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.492 1.703 6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.868 0.692 8.938 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.260 2.396 9.048 1.00 0.00 H new ATOM 0 HE ARG A 56 4.528 1.642 9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.812 2.543 10.857 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.350 2.807 12.541 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.974 1.944 12.034 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.190 2.470 13.203 1.00 0.00 H new ATOM 714 N GLU A 57 4.719 6.046 8.491 1.00 0.00 N ATOM 715 CA GLU A 57 4.612 7.485 8.442 1.00 0.00 C ATOM 716 C GLU A 57 5.117 8.010 7.074 1.00 0.00 C ATOM 717 O GLU A 57 5.710 7.270 6.285 1.00 0.00 O ATOM 718 CB GLU A 57 5.387 8.118 9.618 1.00 0.00 C ATOM 719 CG GLU A 57 5.111 9.601 9.837 1.00 0.00 C ATOM 720 CD GLU A 57 5.856 10.170 11.003 1.00 0.00 C ATOM 721 OE1 GLU A 57 5.434 9.951 12.147 1.00 0.00 O ATOM 722 OE2 GLU A 57 6.880 10.856 10.796 1.00 0.00 O ATOM 0 H GLU A 57 5.593 5.714 8.899 1.00 0.00 H new ATOM 0 HA GLU A 57 3.566 7.773 8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.139 7.577 10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.455 7.982 9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.382 10.152 8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.042 9.747 9.990 1.00 0.00 H new ATOM 729 N CYS A 58 4.842 9.254 6.804 1.00 0.00 N ATOM 730 CA CYS A 58 5.166 9.913 5.563 1.00 0.00 C ATOM 731 C CYS A 58 6.585 10.454 5.530 1.00 0.00 C ATOM 732 O CYS A 58 7.057 11.040 6.493 1.00 0.00 O ATOM 733 CB CYS A 58 4.205 11.078 5.394 1.00 0.00 C ATOM 734 SG CYS A 58 4.083 12.107 6.887 1.00 0.00 S ATOM 0 H CYS A 58 4.366 9.865 7.468 1.00 0.00 H new ATOM 0 HA CYS A 58 5.081 9.179 4.761 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.532 11.696 4.558 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.217 10.695 5.140 1.00 0.00 H new ATOM 739 N SER A 59 7.260 10.229 4.431 1.00 0.00 N ATOM 740 CA SER A 59 8.528 10.858 4.185 1.00 0.00 C ATOM 741 C SER A 59 8.496 11.510 2.790 1.00 0.00 C ATOM 742 O SER A 59 9.500 12.028 2.288 1.00 0.00 O ATOM 743 CB SER A 59 9.665 9.842 4.331 1.00 0.00 C ATOM 744 OG SER A 59 9.437 8.684 3.533 1.00 0.00 O ATOM 0 H SER A 59 6.946 9.607 3.686 1.00 0.00 H new ATOM 0 HA SER A 59 8.714 11.639 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.608 10.305 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.762 9.551 5.377 1.00 0.00 H new ATOM 0 HG SER A 59 10.181 8.056 3.647 1.00 0.00 H new ATOM 750 N ASP A 60 7.293 11.524 2.199 1.00 0.00 N ATOM 751 CA ASP A 60 7.023 12.071 0.925 1.00 0.00 C ATOM 752 C ASP A 60 5.624 12.572 1.130 1.00 0.00 C ATOM 753 O ASP A 60 5.024 12.168 2.159 1.00 0.00 O ATOM 754 CB ASP A 60 7.083 10.964 -0.142 1.00 0.00 C ATOM 755 CG ASP A 60 6.985 11.468 -1.564 1.00 0.00 C ATOM 756 OD1 ASP A 60 5.913 11.904 -1.973 1.00 0.00 O ATOM 757 OD2 ASP A 60 7.986 11.420 -2.292 1.00 0.00 O ATOM 0 H ASP A 60 6.464 11.128 2.643 1.00 0.00 H new ATOM 0 HA ASP A 60 7.719 12.837 0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.017 10.414 -0.027 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.273 10.257 0.038 1.00 0.00 H new ATOM 762 N VAL A 61 5.080 13.328 0.203 1.00 0.00 N ATOM 763 CA VAL A 61 3.801 14.045 0.370 1.00 0.00 C ATOM 764 C VAL A 61 2.717 13.263 1.127 1.00 0.00 C ATOM 765 O VAL A 61 2.393 13.602 2.257 1.00 0.00 O ATOM 766 CB VAL A 61 3.211 14.542 -1.001 1.00 0.00 C ATOM 767 CG1 VAL A 61 1.840 15.180 -0.831 1.00 0.00 C ATOM 768 CG2 VAL A 61 4.131 15.536 -1.660 1.00 0.00 C ATOM 0 H VAL A 61 5.509 13.475 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 61 4.071 14.900 0.990 1.00 0.00 H new ATOM 0 HB VAL A 61 3.113 13.659 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.469 15.509 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.150 14.451 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.918 16.037 -0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.697 15.862 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.264 16.398 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.098 15.069 -1.846 1.00 0.00 H new ATOM 778 N GLN A 62 2.268 12.152 0.580 1.00 0.00 N ATOM 779 CA GLN A 62 1.004 11.580 1.084 1.00 0.00 C ATOM 780 C GLN A 62 0.780 10.030 0.987 1.00 0.00 C ATOM 781 O GLN A 62 1.019 9.352 1.960 1.00 0.00 O ATOM 782 CB GLN A 62 -0.222 12.396 0.636 1.00 0.00 C ATOM 783 CG GLN A 62 -0.606 13.499 1.586 1.00 0.00 C ATOM 784 CD GLN A 62 -0.944 12.980 2.977 1.00 0.00 C ATOM 785 OE1 GLN A 62 -0.710 13.657 3.980 1.00 0.00 O ATOM 786 NE2 GLN A 62 -1.536 11.824 3.054 1.00 0.00 N ATOM 0 H GLN A 62 2.720 11.637 -0.176 1.00 0.00 H new ATOM 0 HA GLN A 62 1.133 11.689 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.019 12.829 -0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.070 11.722 0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.214 14.214 1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.464 14.038 1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.717 11.286 2.206 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.820 11.456 3.962 1.00 0.00 H new ATOM 795 N PRO A 63 0.352 9.423 -0.138 1.00 0.00 N ATOM 796 CA PRO A 63 0.038 7.996 -0.163 1.00 0.00 C ATOM 797 C PRO A 63 1.092 7.168 -0.874 1.00 0.00 C ATOM 798 O PRO A 63 0.921 6.815 -2.023 1.00 0.00 O ATOM 799 CB PRO A 63 -1.228 7.992 -0.997 1.00 0.00 C ATOM 800 CG PRO A 63 -1.063 9.141 -1.952 1.00 0.00 C ATOM 801 CD PRO A 63 0.083 10.008 -1.451 1.00 0.00 C ATOM 0 HA PRO A 63 -0.036 7.569 0.837 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.347 7.049 -1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.113 8.120 -0.373 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.852 8.774 -2.957 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.983 9.722 -2.011 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.952 9.956 -2.107 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.200 11.058 -1.380 1.00 0.00 H new ATOM 809 N LYS A 64 2.150 6.838 -0.219 1.00 0.00 N ATOM 810 CA LYS A 64 3.232 6.168 -0.925 1.00 0.00 C ATOM 811 C LYS A 64 3.219 4.715 -0.602 1.00 0.00 C ATOM 812 O LYS A 64 3.075 4.320 0.568 1.00 0.00 O ATOM 813 CB LYS A 64 4.630 6.719 -0.569 1.00 0.00 C ATOM 814 CG LYS A 64 4.926 8.200 -0.840 1.00 0.00 C ATOM 815 CD LYS A 64 4.078 9.151 0.005 1.00 0.00 C ATOM 816 CE LYS A 64 4.320 8.944 1.496 1.00 0.00 C ATOM 817 NZ LYS A 64 3.546 9.859 2.362 1.00 0.00 N ATOM 0 H LYS A 64 2.306 7.006 0.775 1.00 0.00 H new ATOM 0 HA LYS A 64 3.058 6.349 -1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.797 6.537 0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.367 6.129 -1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.981 8.394 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.753 8.411 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.311 10.182 -0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.023 8.994 -0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.069 7.915 1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.382 9.075 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.800 9.694 3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.763 10.844 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.529 9.684 2.231 1.00 0.00 H new ATOM 831 N LEU A 65 3.424 3.941 -1.608 1.00 0.00 N ATOM 832 CA LEU A 65 3.420 2.530 -1.483 1.00 0.00 C ATOM 833 C LEU A 65 4.817 2.045 -1.406 1.00 0.00 C ATOM 834 O LEU A 65 5.484 2.003 -2.429 1.00 0.00 O ATOM 835 CB LEU A 65 2.827 1.957 -2.732 1.00 0.00 C ATOM 836 CG LEU A 65 2.387 0.490 -2.683 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.423 0.237 -1.530 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.755 0.106 -4.002 1.00 0.00 C ATOM 0 H LEU A 65 3.602 4.277 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 65 2.859 2.239 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.962 2.561 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.557 2.065 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 65 3.267 -0.130 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.131 -0.813 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.911 0.483 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.537 0.860 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.443 -0.938 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.887 0.738 -4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.479 0.240 -4.805 1.00 0.00 H new ATOM 850 N TRP A 66 5.310 1.749 -0.245 1.00 0.00 N ATOM 851 CA TRP A 66 6.595 1.146 -0.220 1.00 0.00 C ATOM 852 C TRP A 66 6.420 -0.342 -0.410 1.00 0.00 C ATOM 853 O TRP A 66 5.903 -1.038 0.452 1.00 0.00 O ATOM 854 CB TRP A 66 7.444 1.445 1.054 1.00 0.00 C ATOM 855 CG TRP A 66 8.661 0.534 1.171 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.827 -0.543 2.006 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.824 0.589 0.374 1.00 0.00 C ATOM 858 NE1 TRP A 66 10.040 -1.147 1.764 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.666 -0.463 0.759 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.232 1.428 -0.623 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.891 -0.675 0.147 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.424 1.216 -1.225 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.238 0.188 -0.853 1.00 0.00 C ATOM 0 H TRP A 66 4.863 1.907 0.658 1.00 0.00 H new ATOM 0 HA TRP A 66 7.170 1.591 -1.032 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.773 2.484 1.032 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.819 1.327 1.939 1.00 0.00 H new ATOM 0 HD1 TRP A 66 8.110 -0.869 2.745 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.408 -1.964 2.251 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.607 2.255 -0.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.540 -1.484 0.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.739 1.877 -2.019 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.181 0.053 -1.362 1.00 0.00 H new ATOM 874 N ALA A 67 6.824 -0.784 -1.519 1.00 0.00 N ATOM 875 CA ALA A 67 6.790 -2.128 -1.861 1.00 0.00 C ATOM 876 C ALA A 67 8.201 -2.634 -1.886 1.00 0.00 C ATOM 877 O ALA A 67 9.120 -1.930 -2.315 1.00 0.00 O ATOM 878 CB ALA A 67 6.144 -2.314 -3.216 1.00 0.00 C ATOM 0 H ALA A 67 7.207 -0.186 -2.251 1.00 0.00 H new ATOM 0 HA ALA A 67 6.201 -2.684 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.126 -3.374 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.124 -1.930 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.716 -1.772 -3.969 1.00 0.00 H new ATOM 884 N ARG A 68 8.393 -3.799 -1.417 1.00 0.00 N ATOM 885 CA ARG A 68 9.652 -4.415 -1.478 1.00 0.00 C ATOM 886 C ARG A 68 9.329 -5.832 -1.600 1.00 0.00 C ATOM 887 O ARG A 68 9.016 -6.475 -0.657 1.00 0.00 O ATOM 888 CB ARG A 68 10.521 -4.182 -0.241 1.00 0.00 C ATOM 889 CG ARG A 68 11.942 -4.649 -0.472 1.00 0.00 C ATOM 890 CD ARG A 68 12.722 -3.645 -1.317 1.00 0.00 C ATOM 891 NE ARG A 68 13.662 -4.302 -2.236 1.00 0.00 N ATOM 892 CZ ARG A 68 14.988 -4.101 -2.255 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.577 -3.403 -1.285 1.00 0.00 N ATOM 894 NH2 ARG A 68 15.721 -4.635 -3.223 1.00 0.00 N ATOM 0 H ARG A 68 7.668 -4.362 -0.972 1.00 0.00 H new ATOM 0 HA ARG A 68 10.241 -4.008 -2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.521 -3.122 0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.095 -4.713 0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.442 -4.788 0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.933 -5.618 -0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.023 -3.035 -1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.271 -2.970 -0.661 1.00 0.00 H new ATOM 0 HE ARG A 68 13.276 -4.962 -2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.019 -3.018 -0.523 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.586 -3.253 -1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.276 -5.196 -3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.730 -4.485 -3.241 1.00 0.00 H new ATOM 908 N TYR A 69 9.310 -6.270 -2.758 1.00 0.00 N ATOM 909 CA TYR A 69 8.847 -7.605 -3.083 1.00 0.00 C ATOM 910 C TYR A 69 9.936 -8.626 -2.782 1.00 0.00 C ATOM 911 O TYR A 69 11.100 -8.271 -2.645 1.00 0.00 O ATOM 912 CB TYR A 69 8.533 -7.685 -4.574 1.00 0.00 C ATOM 913 CG TYR A 69 7.734 -6.531 -5.111 1.00 0.00 C ATOM 914 CD1 TYR A 69 8.359 -5.390 -5.597 1.00 0.00 C ATOM 915 CD2 TYR A 69 6.377 -6.578 -5.132 1.00 0.00 C ATOM 916 CE1 TYR A 69 7.631 -4.329 -6.089 1.00 0.00 C ATOM 917 CE2 TYR A 69 5.635 -5.527 -5.623 1.00 0.00 C ATOM 918 CZ TYR A 69 6.261 -4.404 -6.098 1.00 0.00 C ATOM 919 OH TYR A 69 5.510 -3.354 -6.593 1.00 0.00 O ATOM 0 H TYR A 69 9.616 -5.730 -3.568 1.00 0.00 H new ATOM 0 HA TYR A 69 7.959 -7.817 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.471 -7.748 -5.126 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.987 -8.608 -4.767 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.437 -5.333 -5.589 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.871 -7.455 -4.757 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.133 -3.449 -6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.557 -5.588 -5.634 1.00 0.00 H new ATOM 0 HH TYR A 69 4.557 -3.573 -6.526 1.00 0.00 H new ATOM 929 N ALA A 70 9.548 -9.889 -2.700 1.00 0.00 N ATOM 930 CA ALA A 70 10.499 -10.989 -2.516 1.00 0.00 C ATOM 931 C ALA A 70 10.884 -11.549 -3.856 1.00 0.00 C ATOM 932 O ALA A 70 11.602 -12.545 -3.961 1.00 0.00 O ATOM 933 CB ALA A 70 9.965 -12.055 -1.575 1.00 0.00 C ATOM 0 H ALA A 70 8.574 -10.186 -2.758 1.00 0.00 H new ATOM 0 HA ALA A 70 11.396 -10.598 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.703 -12.850 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.766 -11.612 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.042 -12.469 -1.981 1.00 0.00 H new ATOM 939 N PHE A 71 10.379 -10.904 -4.884 1.00 0.00 N ATOM 940 CA PHE A 71 10.917 -11.075 -6.194 1.00 0.00 C ATOM 941 C PHE A 71 12.217 -10.272 -6.165 1.00 0.00 C ATOM 942 O PHE A 71 13.157 -10.518 -6.919 1.00 0.00 O ATOM 943 CB PHE A 71 9.952 -10.544 -7.248 1.00 0.00 C ATOM 944 CG PHE A 71 8.595 -11.202 -7.207 1.00 0.00 C ATOM 945 CD1 PHE A 71 8.408 -12.465 -7.730 1.00 0.00 C ATOM 946 CD2 PHE A 71 7.509 -10.550 -6.649 1.00 0.00 C ATOM 947 CE1 PHE A 71 7.170 -13.069 -7.696 1.00 0.00 C ATOM 948 CE2 PHE A 71 6.270 -11.148 -6.612 1.00 0.00 C ATOM 949 CZ PHE A 71 6.099 -12.409 -7.137 1.00 0.00 C ATOM 0 H PHE A 71 9.593 -10.256 -4.827 1.00 0.00 H new ATOM 0 HA PHE A 71 11.085 -12.120 -6.453 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.830 -9.470 -7.110 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.389 -10.691 -8.236 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.243 -12.987 -8.172 1.00 0.00 H new ATOM 0 HD2 PHE A 71 7.636 -9.560 -6.237 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.040 -14.059 -8.107 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.432 -10.628 -6.171 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.127 -12.879 -7.110 1.00 0.00 H new ATOM 959 N GLY A 72 12.235 -9.321 -5.216 1.00 0.00 N ATOM 960 CA GLY A 72 13.403 -8.598 -4.845 1.00 0.00 C ATOM 961 C GLY A 72 13.385 -7.145 -5.236 1.00 0.00 C ATOM 962 O GLY A 72 14.227 -6.367 -4.772 1.00 0.00 O ATOM 0 H GLY A 72 11.405 -9.048 -4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.532 -8.670 -3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.271 -9.074 -5.302 1.00 0.00 H new ATOM 966 N GLN A 73 12.412 -6.751 -6.040 1.00 0.00 N ATOM 967 CA GLN A 73 12.304 -5.360 -6.468 1.00 0.00 C ATOM 968 C GLN A 73 11.792 -4.462 -5.343 1.00 0.00 C ATOM 969 O GLN A 73 11.327 -4.947 -4.289 1.00 0.00 O ATOM 970 CB GLN A 73 11.392 -5.210 -7.680 1.00 0.00 C ATOM 971 CG GLN A 73 11.829 -5.984 -8.894 1.00 0.00 C ATOM 972 CD GLN A 73 11.087 -5.550 -10.129 1.00 0.00 C ATOM 973 OE1 GLN A 73 10.691 -4.385 -10.254 1.00 0.00 O ATOM 974 NE2 GLN A 73 10.877 -6.457 -11.039 1.00 0.00 N ATOM 0 H GLN A 73 11.688 -7.367 -6.409 1.00 0.00 H new ATOM 0 HA GLN A 73 13.311 -5.047 -6.743 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.387 -5.530 -7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.329 -4.154 -7.942 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.900 -5.848 -9.046 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.664 -7.048 -8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.219 -7.408 -10.900 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.370 -6.217 -11.891 1.00 0.00 H new ATOM 983 N GLU A 74 11.875 -3.173 -5.559 1.00 0.00 N ATOM 984 CA GLU A 74 11.414 -2.194 -4.614 1.00 0.00 C ATOM 985 C GLU A 74 10.455 -1.253 -5.322 1.00 0.00 C ATOM 986 O GLU A 74 10.362 -1.267 -6.558 1.00 0.00 O ATOM 987 CB GLU A 74 12.584 -1.394 -3.997 1.00 0.00 C ATOM 988 CG GLU A 74 13.287 -0.422 -4.940 1.00 0.00 C ATOM 989 CD GLU A 74 13.987 -1.095 -6.101 1.00 0.00 C ATOM 990 OE1 GLU A 74 13.336 -1.347 -7.143 1.00 0.00 O ATOM 991 OE2 GLU A 74 15.193 -1.385 -6.005 1.00 0.00 O ATOM 0 H GLU A 74 12.271 -2.771 -6.409 1.00 0.00 H new ATOM 0 HA GLU A 74 10.910 -2.708 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.206 -0.834 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.322 -2.100 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.555 0.285 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.017 0.156 -4.373 1.00 0.00 H new ATOM 998 N THR A 75 9.755 -0.469 -4.557 1.00 0.00 N ATOM 999 CA THR A 75 8.784 0.471 -5.022 1.00 0.00 C ATOM 1000 C THR A 75 8.417 1.357 -3.850 1.00 0.00 C ATOM 1001 O THR A 75 8.324 0.891 -2.774 1.00 0.00 O ATOM 1002 CB THR A 75 7.534 -0.295 -5.558 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.772 -0.826 -6.868 1.00 0.00 O ATOM 1004 CG2 THR A 75 6.246 0.508 -5.508 1.00 0.00 C ATOM 0 H THR A 75 9.852 -0.469 -3.542 1.00 0.00 H new ATOM 0 HA THR A 75 9.176 1.079 -5.837 1.00 0.00 H new ATOM 0 HB THR A 75 7.382 -1.126 -4.870 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.736 -0.836 -7.047 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.426 -0.095 -5.898 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.032 0.789 -4.477 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.354 1.408 -6.114 1.00 0.00 H new ATOM 1012 N ASN A 76 8.319 2.612 -4.056 1.00 0.00 N ATOM 1013 CA ASN A 76 7.904 3.541 -3.012 1.00 0.00 C ATOM 1014 C ASN A 76 7.102 4.645 -3.635 1.00 0.00 C ATOM 1015 O ASN A 76 7.670 5.632 -4.115 1.00 0.00 O ATOM 1016 CB ASN A 76 9.110 4.072 -2.181 1.00 0.00 C ATOM 1017 CG ASN A 76 10.333 4.489 -3.011 1.00 0.00 C ATOM 1018 OD1 ASN A 76 10.424 5.626 -3.472 1.00 0.00 O ATOM 1019 ND2 ASN A 76 11.324 3.602 -3.135 1.00 0.00 N ATOM 0 H ASN A 76 8.520 3.055 -4.952 1.00 0.00 H new ATOM 0 HA ASN A 76 7.275 3.014 -2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.779 4.928 -1.593 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.414 3.299 -1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.182 3.861 -3.621 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.222 2.666 -2.743 1.00 0.00 H new ATOM 1026 N VAL A 77 5.766 4.491 -3.708 1.00 0.00 N ATOM 1027 CA VAL A 77 5.074 5.486 -4.558 1.00 0.00 C ATOM 1028 C VAL A 77 3.639 5.890 -4.287 1.00 0.00 C ATOM 1029 O VAL A 77 2.794 5.074 -3.978 1.00 0.00 O ATOM 1030 CB VAL A 77 5.297 5.136 -6.014 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.841 3.725 -6.361 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.819 6.159 -7.034 1.00 0.00 C ATOM 0 H VAL A 77 5.196 3.779 -3.251 1.00 0.00 H new ATOM 0 HA VAL A 77 5.558 6.414 -4.254 1.00 0.00 H new ATOM 0 HB VAL A 77 6.383 5.169 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.026 3.532 -7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.395 3.005 -5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.775 3.626 -6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.033 5.797 -8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.745 6.309 -6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.336 7.105 -6.871 1.00 0.00 H new ATOM 1042 N PRO A 78 3.427 7.229 -4.374 1.00 0.00 N ATOM 1043 CA PRO A 78 2.123 7.897 -4.373 1.00 0.00 C ATOM 1044 C PRO A 78 1.179 7.211 -5.305 1.00 0.00 C ATOM 1045 O PRO A 78 1.329 7.219 -6.532 1.00 0.00 O ATOM 1046 CB PRO A 78 2.460 9.309 -4.838 1.00 0.00 C ATOM 1047 CG PRO A 78 3.834 9.513 -4.313 1.00 0.00 C ATOM 1048 CD PRO A 78 4.511 8.189 -4.467 1.00 0.00 C ATOM 0 HA PRO A 78 1.624 7.885 -3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.426 9.395 -5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.761 10.044 -4.437 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.357 10.290 -4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.815 9.827 -3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.030 8.114 -5.423 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.255 8.028 -3.687 1.00 0.00 H new ATOM 1056 N LEU A 79 0.253 6.586 -4.703 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.683 5.730 -5.343 1.00 0.00 C ATOM 1058 C LEU A 79 -2.081 6.330 -5.292 1.00 0.00 C ATOM 1059 O LEU A 79 -3.089 5.651 -5.506 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.580 4.369 -4.614 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.751 4.344 -3.061 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -2.108 4.843 -2.609 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.568 2.940 -2.556 1.00 0.00 C ATOM 0 H LEU A 79 0.110 6.654 -3.695 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.469 5.600 -6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.332 3.705 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.394 3.940 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 79 0.005 5.014 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.167 4.802 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.247 5.872 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.888 4.215 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.688 2.925 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.313 2.289 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.430 2.587 -2.816 1.00 0.00 H new ATOM 1075 N ASN A 80 -2.125 7.624 -5.049 1.00 0.00 N ATOM 1076 CA ASN A 80 -3.384 8.321 -4.755 1.00 0.00 C ATOM 1077 C ASN A 80 -4.383 8.343 -5.913 1.00 0.00 C ATOM 1078 O ASN A 80 -5.556 8.680 -5.741 1.00 0.00 O ATOM 1079 CB ASN A 80 -3.133 9.724 -4.261 1.00 0.00 C ATOM 1080 CG ASN A 80 -4.301 10.259 -3.472 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -5.082 9.490 -2.901 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -4.353 11.534 -3.320 1.00 0.00 N ATOM 0 H ASN A 80 -1.303 8.228 -5.047 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.849 7.731 -3.965 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.238 9.735 -3.638 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.938 10.379 -5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.058 11.946 -2.709 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.689 12.134 -3.810 1.00 0.00 H new ATOM 1089 N ASN A 81 -3.932 7.982 -7.078 1.00 0.00 N ATOM 1090 CA ASN A 81 -4.790 7.991 -8.262 1.00 0.00 C ATOM 1091 C ASN A 81 -5.542 6.681 -8.456 1.00 0.00 C ATOM 1092 O ASN A 81 -6.079 6.410 -9.538 1.00 0.00 O ATOM 1093 CB ASN A 81 -4.040 8.404 -9.533 1.00 0.00 C ATOM 1094 CG ASN A 81 -3.673 9.878 -9.541 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -4.344 10.714 -8.913 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -2.649 10.224 -10.265 1.00 0.00 N ATOM 0 H ASN A 81 -2.975 7.674 -7.250 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.540 8.759 -8.073 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.133 7.807 -9.625 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.658 8.182 -10.403 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.377 11.205 -10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.118 9.514 -10.769 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.594 5.884 -7.418 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.395 4.695 -7.391 1.00 0.00 C ATOM 1105 C PHE A 82 -7.330 4.826 -6.219 1.00 0.00 C ATOM 1106 O PHE A 82 -7.234 5.775 -5.437 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.554 3.411 -7.241 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.492 3.205 -8.277 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -4.817 2.704 -9.521 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -3.161 3.486 -7.996 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -3.843 2.488 -10.471 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -2.187 3.276 -8.943 1.00 0.00 C ATOM 1113 CZ PHE A 82 -2.529 2.774 -10.183 1.00 0.00 C ATOM 0 H PHE A 82 -5.072 6.049 -6.558 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.928 4.603 -8.337 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.081 3.421 -6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.227 2.554 -7.261 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.847 2.478 -9.753 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.889 3.873 -7.025 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.111 2.095 -11.440 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.156 3.503 -8.717 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.764 2.606 -10.927 1.00 0.00 H new ATOM 1123 N SER A 83 -8.210 3.914 -6.108 1.00 0.00 N ATOM 1124 CA SER A 83 -9.189 3.891 -5.061 1.00 0.00 C ATOM 1125 C SER A 83 -8.898 2.700 -4.130 1.00 0.00 C ATOM 1126 O SER A 83 -7.976 1.941 -4.411 1.00 0.00 O ATOM 1127 CB SER A 83 -10.551 3.763 -5.726 1.00 0.00 C ATOM 1128 OG SER A 83 -10.811 4.876 -6.578 1.00 0.00 O ATOM 0 H SER A 83 -8.285 3.130 -6.756 1.00 0.00 H new ATOM 0 HA SER A 83 -9.164 4.797 -4.455 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.592 2.840 -6.305 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.327 3.695 -4.963 1.00 0.00 H new ATOM 0 HG SER A 83 -11.691 4.770 -6.995 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.672 2.556 -3.045 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.534 1.460 -2.061 1.00 0.00 C ATOM 1136 C ALA A 84 -9.370 0.079 -2.750 1.00 0.00 C ATOM 1137 O ALA A 84 -8.364 -0.659 -2.536 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.783 1.412 -1.204 1.00 0.00 C ATOM 0 H ALA A 84 -10.425 3.205 -2.818 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.643 1.658 -1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.693 0.607 -0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.904 2.362 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.652 1.232 -1.837 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.351 -0.247 -3.605 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.382 -1.529 -4.343 1.00 0.00 C ATOM 1146 C ASP A 85 -9.202 -1.612 -5.269 1.00 0.00 C ATOM 1147 O ASP A 85 -8.541 -2.635 -5.367 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.667 -1.680 -5.193 1.00 0.00 C ATOM 1149 CG ASP A 85 -12.951 -1.710 -4.399 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -13.396 -2.802 -3.982 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -13.557 -0.636 -4.195 1.00 0.00 O ATOM 0 H ASP A 85 -11.143 0.363 -3.807 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.356 -2.325 -3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.715 -0.855 -5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.595 -2.599 -5.775 1.00 0.00 H new ATOM 1156 N GLN A 86 -8.921 -0.508 -5.914 1.00 0.00 N ATOM 1157 CA GLN A 86 -7.846 -0.441 -6.872 1.00 0.00 C ATOM 1158 C GLN A 86 -6.514 -0.648 -6.257 1.00 0.00 C ATOM 1159 O GLN A 86 -5.768 -1.458 -6.746 1.00 0.00 O ATOM 1160 CB GLN A 86 -7.882 0.827 -7.701 1.00 0.00 C ATOM 1161 CG GLN A 86 -9.026 0.878 -8.678 1.00 0.00 C ATOM 1162 CD GLN A 86 -9.077 -0.389 -9.491 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -9.789 -1.329 -9.155 1.00 0.00 O ATOM 1164 NE2 GLN A 86 -8.266 -0.461 -10.492 1.00 0.00 N ATOM 0 H GLN A 86 -9.429 0.368 -5.791 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.012 -1.275 -7.554 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.948 1.686 -7.033 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.944 0.920 -8.248 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -9.965 1.012 -8.142 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.911 1.737 -9.338 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.690 0.343 -10.740 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -8.201 -1.322 -11.035 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.211 0.046 -5.183 1.00 0.00 N ATOM 1174 CA VAL A 87 -4.941 -0.150 -4.551 1.00 0.00 C ATOM 1175 C VAL A 87 -4.809 -1.574 -4.050 1.00 0.00 C ATOM 1176 O VAL A 87 -3.848 -2.212 -4.341 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.579 0.893 -3.446 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.430 2.278 -4.029 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.588 0.918 -2.346 1.00 0.00 C ATOM 0 H VAL A 87 -6.818 0.736 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.199 0.026 -5.330 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.624 0.579 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.178 2.982 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.637 2.275 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.368 2.579 -4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.295 1.657 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.564 1.180 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.642 -0.066 -1.880 1.00 0.00 H new ATOM 1189 N THR A 88 -5.830 -2.110 -3.416 1.00 0.00 N ATOM 1190 CA THR A 88 -5.716 -3.462 -2.883 1.00 0.00 C ATOM 1191 C THR A 88 -5.517 -4.546 -3.959 1.00 0.00 C ATOM 1192 O THR A 88 -4.640 -5.449 -3.835 1.00 0.00 O ATOM 1193 CB THR A 88 -6.860 -3.788 -1.924 1.00 0.00 C ATOM 1194 OG1 THR A 88 -8.114 -3.444 -2.526 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.691 -3.000 -0.654 1.00 0.00 C ATOM 0 H THR A 88 -6.727 -1.651 -3.257 1.00 0.00 H new ATOM 0 HA THR A 88 -4.792 -3.476 -2.305 1.00 0.00 H new ATOM 0 HB THR A 88 -6.845 -4.855 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.275 -2.483 -2.421 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.507 -3.233 0.030 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.741 -3.261 -0.188 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.702 -1.934 -0.883 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.234 -4.405 -5.018 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.210 -5.372 -6.092 1.00 0.00 C ATOM 1205 C ARG A 89 -4.990 -5.159 -6.982 1.00 0.00 C ATOM 1206 O ARG A 89 -4.325 -6.123 -7.363 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.501 -5.290 -6.881 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.710 -6.385 -7.906 1.00 0.00 C ATOM 1209 CD ARG A 89 -9.087 -6.249 -8.512 1.00 0.00 C ATOM 1210 NE ARG A 89 -10.120 -6.220 -7.463 1.00 0.00 N ATOM 1211 CZ ARG A 89 -11.227 -5.468 -7.485 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -11.530 -4.750 -8.559 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -12.023 -5.431 -6.422 1.00 0.00 N ATOM 0 H ARG A 89 -6.861 -3.617 -5.178 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.130 -6.375 -5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.336 -5.308 -6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.534 -4.328 -7.392 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.950 -6.319 -8.685 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.602 -7.363 -7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.139 -5.336 -9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.274 -7.081 -9.190 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.980 -6.823 -6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -10.918 -4.769 -9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.375 -4.179 -8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.790 -5.975 -5.591 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.867 -4.859 -6.437 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.680 -3.902 -7.297 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.473 -3.594 -8.075 1.00 0.00 C ATOM 1229 C ALA A 90 -2.257 -3.975 -7.281 1.00 0.00 C ATOM 1230 O ALA A 90 -1.282 -4.403 -7.868 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.403 -2.133 -8.486 1.00 0.00 C ATOM 0 H ALA A 90 -5.236 -3.089 -7.032 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.513 -4.176 -8.996 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.492 -1.959 -9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.269 -1.886 -9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.397 -1.504 -7.596 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.317 -3.822 -5.926 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.253 -4.340 -5.065 1.00 0.00 C ATOM 1239 C LEU A 91 -1.091 -5.778 -5.341 1.00 0.00 C ATOM 1240 O LEU A 91 -0.054 -6.194 -5.752 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.501 -4.162 -3.539 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.854 -2.930 -2.844 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -1.128 -1.635 -3.568 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -1.317 -2.829 -1.402 1.00 0.00 C ATOM 0 H LEU A 91 -3.077 -3.354 -5.432 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.362 -3.757 -5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.578 -4.112 -3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.144 -5.059 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 91 0.224 -3.089 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.651 -0.812 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.728 -1.692 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.203 -1.463 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.854 -1.962 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.401 -2.722 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.028 -3.731 -0.863 1.00 0.00 H new ATOM 1256 N GLU A 92 -2.155 -6.520 -5.187 1.00 0.00 N ATOM 1257 CA GLU A 92 -2.114 -7.973 -5.380 1.00 0.00 C ATOM 1258 C GLU A 92 -1.528 -8.320 -6.750 1.00 0.00 C ATOM 1259 O GLU A 92 -0.604 -9.161 -6.853 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.519 -8.558 -5.159 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.659 -10.063 -5.303 1.00 0.00 C ATOM 1262 CD GLU A 92 -2.737 -10.835 -4.410 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -2.882 -10.781 -3.188 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -1.846 -11.528 -4.934 1.00 0.00 O ATOM 0 H GLU A 92 -3.071 -6.155 -4.928 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.451 -8.428 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.851 -8.279 -4.159 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.201 -8.083 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.688 -10.347 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.466 -10.341 -6.339 1.00 0.00 H new ATOM 1271 N ASN A 93 -2.014 -7.647 -7.750 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.511 -7.758 -9.099 1.00 0.00 C ATOM 1273 C ASN A 93 0.010 -7.564 -9.139 1.00 0.00 C ATOM 1274 O ASN A 93 0.772 -8.530 -9.419 1.00 0.00 O ATOM 1275 CB ASN A 93 -2.266 -6.764 -10.010 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.609 -7.310 -10.447 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -3.793 -8.532 -10.544 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.543 -6.448 -10.745 1.00 0.00 N ATOM 0 H ASN A 93 -2.788 -6.990 -7.655 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.695 -8.764 -9.477 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.411 -5.823 -9.479 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.660 -6.544 -10.889 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.454 -6.774 -11.068 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.362 -5.448 -10.655 1.00 0.00 H new ATOM 1285 N VAL A 94 0.465 -6.383 -8.750 1.00 0.00 N ATOM 1286 CA VAL A 94 1.881 -6.080 -8.749 1.00 0.00 C ATOM 1287 C VAL A 94 2.697 -6.935 -7.843 1.00 0.00 C ATOM 1288 O VAL A 94 3.770 -7.403 -8.226 1.00 0.00 O ATOM 1289 CB VAL A 94 2.244 -4.616 -8.462 1.00 0.00 C ATOM 1290 CG1 VAL A 94 1.922 -3.713 -9.634 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.628 -4.066 -7.186 1.00 0.00 C ATOM 0 H VAL A 94 -0.131 -5.619 -8.431 1.00 0.00 H new ATOM 0 HA VAL A 94 2.133 -6.302 -9.786 1.00 0.00 H new ATOM 0 HB VAL A 94 3.323 -4.622 -8.309 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.195 -2.687 -9.388 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.485 -4.038 -10.509 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.855 -3.763 -9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.931 -3.027 -7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.541 -4.121 -7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.969 -4.655 -6.334 1.00 0.00 H new ATOM 1301 N LEU A 95 2.207 -7.200 -6.695 1.00 0.00 N ATOM 1302 CA LEU A 95 3.072 -7.770 -5.728 1.00 0.00 C ATOM 1303 C LEU A 95 3.081 -9.231 -5.618 1.00 0.00 C ATOM 1304 O LEU A 95 3.919 -9.787 -4.903 1.00 0.00 O ATOM 1305 CB LEU A 95 2.994 -7.067 -4.399 1.00 0.00 C ATOM 1306 CG LEU A 95 1.632 -7.017 -3.693 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.208 -8.336 -3.063 1.00 0.00 C ATOM 1308 CD2 LEU A 95 1.573 -5.877 -2.716 1.00 0.00 C ATOM 0 H LEU A 95 1.243 -7.040 -6.402 1.00 0.00 H new ATOM 0 HA LEU A 95 4.061 -7.577 -6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.703 -7.547 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.334 -6.042 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 95 0.895 -6.835 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.236 -8.215 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.140 -9.103 -3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.944 -8.636 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.598 -5.865 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.352 -6.002 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.727 -4.936 -3.245 1.00 0.00 H new ATOM 1320 N SER A 96 2.185 -9.864 -6.206 1.00 0.00 N ATOM 1321 CA SER A 96 2.312 -11.262 -6.206 1.00 0.00 C ATOM 1322 C SER A 96 2.569 -11.751 -7.624 1.00 0.00 C ATOM 1323 O SER A 96 2.906 -12.927 -7.830 1.00 0.00 O ATOM 1324 CB SER A 96 1.104 -11.938 -5.592 1.00 0.00 C ATOM 1325 OG SER A 96 0.774 -11.363 -4.329 1.00 0.00 O ATOM 0 H SER A 96 1.374 -9.472 -6.684 1.00 0.00 H new ATOM 0 HA SER A 96 3.164 -11.532 -5.582 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.253 -11.850 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.304 -13.002 -5.468 1.00 0.00 H new ATOM 0 HG SER A 96 -0.200 -11.287 -4.249 1.00 0.00 H new ATOM 1331 N GLY A 97 2.395 -10.870 -8.621 1.00 0.00 N ATOM 1332 CA GLY A 97 2.653 -11.311 -9.948 1.00 0.00 C ATOM 1333 C GLY A 97 3.335 -10.307 -10.848 1.00 0.00 C ATOM 1334 O GLY A 97 3.663 -10.656 -11.979 1.00 0.00 O ATOM 0 H GLY A 97 2.092 -9.902 -8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.271 -12.208 -9.900 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.707 -11.599 -10.406 1.00 0.00 H new ATOM 1338 N LYS A 98 3.568 -9.069 -10.409 1.00 0.00 N ATOM 1339 CA LYS A 98 4.144 -8.122 -11.374 1.00 0.00 C ATOM 1340 C LYS A 98 5.598 -7.920 -11.279 1.00 0.00 C ATOM 1341 O LYS A 98 6.357 -8.237 -12.198 1.00 0.00 O ATOM 1342 CB LYS A 98 3.402 -6.794 -11.497 1.00 0.00 C ATOM 1343 CG LYS A 98 2.186 -6.822 -12.402 1.00 0.00 C ATOM 1344 CD LYS A 98 2.604 -7.139 -13.830 1.00 0.00 C ATOM 1345 CE LYS A 98 1.462 -6.966 -14.815 1.00 0.00 C ATOM 1346 NZ LYS A 98 0.975 -5.569 -14.847 1.00 0.00 N ATOM 0 H LYS A 98 3.386 -8.714 -9.470 1.00 0.00 H new ATOM 0 HA LYS A 98 3.983 -8.654 -12.312 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.089 -6.476 -10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.096 -6.040 -11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.477 -7.570 -12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.676 -5.859 -12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.431 -6.489 -14.117 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.972 -8.164 -13.880 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.793 -7.259 -15.811 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.642 -7.631 -14.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.413 -5.417 -15.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.383 -5.388 -14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.786 -4.918 -14.844 1.00 0.00 H new ATOM 1360 N ALA A 99 5.968 -7.394 -10.217 1.00 0.00 N ATOM 1361 CA ALA A 99 7.306 -6.946 -10.016 1.00 0.00 C ATOM 1362 C ALA A 99 8.131 -7.968 -9.259 1.00 0.00 C ATOM 1363 O ALA A 99 8.356 -7.794 -8.063 1.00 0.00 O ATOM 1364 CB ALA A 99 7.259 -5.610 -9.314 1.00 0.00 C ATOM 1365 OXT ALA A 99 8.529 -8.986 -9.883 1.00 0.00 O ATOM 0 H ALA A 99 5.353 -7.243 -9.417 1.00 0.00 H new ATOM 0 HA ALA A 99 7.804 -6.825 -10.978 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.274 -5.249 -9.150 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.714 -4.894 -9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.754 -5.721 -8.354 1.00 0.00 H new