USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 507 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 29 HIS : no HD1:sc= 0.77 K(o=0.97,f=-8!) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.201 K(o=0.97,f=-8.8!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 162:sc= 1.23 (180deg=0) USER MOD Set 2.2: A 14 ASN : amide:sc= 1.11 K(o=2.3,f=-7.6!) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.013) USER MOD Single : A 3 SER OG : rot -7:sc= 0.0066 USER MOD Single : A 9 ASN : amide:sc= -0.0416 K(o=-0.042,f=-1.3) USER MOD Single : A 16 SER OG : rot -177:sc= 1.24 USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= 1.22 (180deg=1.02) USER MOD Single : A 25 SER OG : rot 69:sc= 1.25 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -135:sc= -0.0974 (180deg=-0.462) USER MOD Single : A 32 GLN : amide:sc= 0.273 K(o=0.27,f=-3.7!) USER MOD Single : A 34 ASN : amide:sc= -0.488 K(o=-0.49,f=-4.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.23 K(o=-1.2,f=-3) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot -139:sc= 1.82 USER MOD Single : A 56 CYS SG : rot 180:sc= -0.0676 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 18.145 32.552 14.079 1.00 0.00 N ATOM 2 CA PRO A 1 18.536 33.724 14.890 1.00 0.00 C ATOM 3 C PRO A 1 19.930 33.540 15.518 1.00 0.00 C ATOM 4 O PRO A 1 20.552 32.496 15.330 1.00 0.00 O ATOM 5 CB PRO A 1 17.421 33.927 15.933 1.00 0.00 C ATOM 6 CG PRO A 1 16.296 32.973 15.513 1.00 0.00 C ATOM 7 CD PRO A 1 16.679 32.567 14.096 1.00 0.00 C ATOM 0 H2 PRO A 1 18.512 31.687 14.475 1.00 0.00 H new ATOM 0 H3 PRO A 1 18.506 32.621 13.128 1.00 0.00 H new ATOM 0 HA PRO A 1 18.631 34.619 14.275 1.00 0.00 H new ATOM 0 HB2 PRO A 1 17.776 33.698 16.938 1.00 0.00 H new ATOM 0 HB3 PRO A 1 17.076 34.961 15.944 1.00 0.00 H new ATOM 0 HG2 PRO A 1 16.235 32.109 16.175 1.00 0.00 H new ATOM 0 HG3 PRO A 1 15.323 33.464 15.540 1.00 0.00 H new ATOM 0 HD2 PRO A 1 16.273 31.587 13.845 1.00 0.00 H new ATOM 0 HD3 PRO A 1 16.285 33.273 13.365 1.00 0.00 H new ATOM 15 N LYS A 2 20.425 34.537 16.265 1.00 0.00 N ATOM 16 CA LYS A 2 21.716 34.476 16.978 1.00 0.00 C ATOM 17 C LYS A 2 21.567 34.468 18.499 1.00 0.00 C ATOM 18 O LYS A 2 20.646 35.057 19.074 1.00 0.00 O ATOM 19 CB LYS A 2 22.627 35.634 16.563 1.00 0.00 C ATOM 20 CG LYS A 2 23.017 35.611 15.080 1.00 0.00 C ATOM 21 CD LYS A 2 24.019 36.732 14.760 1.00 0.00 C ATOM 22 CE LYS A 2 23.556 38.127 15.208 1.00 0.00 C ATOM 23 NZ LYS A 2 22.249 38.500 14.620 1.00 0.00 N ATOM 0 H LYS A 2 19.936 35.422 16.395 1.00 0.00 H new ATOM 0 HA LYS A 2 22.167 33.527 16.689 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.125 36.576 16.783 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.533 35.607 17.168 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.454 34.644 14.830 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.126 35.727 14.463 1.00 0.00 H new ATOM 0 HD2 LYS A 2 24.970 36.504 15.241 1.00 0.00 H new ATOM 0 HD3 LYS A 2 24.201 36.748 13.685 1.00 0.00 H new ATOM 0 HE2 LYS A 2 23.483 38.152 16.295 1.00 0.00 H new ATOM 0 HE3 LYS A 2 24.305 38.865 14.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 21.994 39.462 14.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.314 38.470 13.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.520 37.831 14.941 1.00 0.00 H new ATOM 37 N SER A 3 22.513 33.790 19.136 1.00 0.00 N ATOM 38 CA SER A 3 22.569 33.468 20.559 1.00 0.00 C ATOM 39 C SER A 3 24.021 33.133 20.952 1.00 0.00 C ATOM 40 O SER A 3 24.865 32.903 20.075 1.00 0.00 O ATOM 41 CB SER A 3 21.645 32.269 20.794 1.00 0.00 C ATOM 42 OG SER A 3 21.209 32.213 22.127 1.00 0.00 O ATOM 0 H SER A 3 23.322 33.423 18.635 1.00 0.00 H new ATOM 0 HA SER A 3 22.244 34.310 21.170 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.783 32.336 20.130 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.170 31.348 20.542 1.00 0.00 H new ATOM 0 HG SER A 3 21.676 32.896 22.653 1.00 0.00 H new ATOM 48 N ARG A 4 24.342 33.124 22.249 1.00 0.00 N ATOM 49 CA ARG A 4 25.704 32.981 22.802 1.00 0.00 C ATOM 50 C ARG A 4 25.715 32.150 24.088 1.00 0.00 C ATOM 51 O ARG A 4 24.998 32.446 25.045 1.00 0.00 O ATOM 52 CB ARG A 4 26.294 34.375 23.074 1.00 0.00 C ATOM 53 CG ARG A 4 26.672 35.120 21.785 1.00 0.00 C ATOM 54 CD ARG A 4 27.134 36.548 22.079 1.00 0.00 C ATOM 55 NE ARG A 4 25.981 37.393 22.428 1.00 0.00 N ATOM 56 CZ ARG A 4 25.948 38.401 23.274 1.00 0.00 C ATOM 57 NH1 ARG A 4 26.981 38.824 23.937 1.00 0.00 N ATOM 58 NH2 ARG A 4 24.826 39.013 23.480 1.00 0.00 N ATOM 0 H ARG A 4 23.635 33.220 22.978 1.00 0.00 H new ATOM 0 HA ARG A 4 26.312 32.454 22.067 1.00 0.00 H new ATOM 0 HB2 ARG A 4 25.571 34.969 23.633 1.00 0.00 H new ATOM 0 HB3 ARG A 4 27.178 34.274 23.703 1.00 0.00 H new ATOM 0 HG2 ARG A 4 27.465 34.578 21.270 1.00 0.00 H new ATOM 0 HG3 ARG A 4 25.814 35.145 21.113 1.00 0.00 H new ATOM 0 HD2 ARG A 4 27.853 36.544 22.899 1.00 0.00 H new ATOM 0 HD3 ARG A 4 27.645 36.959 21.209 1.00 0.00 H new ATOM 0 HE ARG A 4 25.103 37.171 21.959 1.00 0.00 H new ATOM 0 HH11 ARG A 4 27.886 38.369 23.817 1.00 0.00 H new ATOM 0 HH12 ARG A 4 26.888 39.612 24.578 1.00 0.00 H new ATOM 0 HH21 ARG A 4 23.984 38.712 22.990 1.00 0.00 H new ATOM 0 HH22 ARG A 4 24.784 39.796 24.133 1.00 0.00 H new ATOM 72 N LEU A 5 26.568 31.127 24.090 1.00 0.00 N ATOM 73 CA LEU A 5 26.775 30.119 25.128 1.00 0.00 C ATOM 74 C LEU A 5 28.211 30.208 25.657 1.00 0.00 C ATOM 75 O LEU A 5 29.164 30.029 24.895 1.00 0.00 O ATOM 76 CB LEU A 5 26.487 28.740 24.489 1.00 0.00 C ATOM 77 CG LEU A 5 26.407 27.573 25.488 1.00 0.00 C ATOM 78 CD1 LEU A 5 25.685 26.354 24.913 1.00 0.00 C ATOM 79 CD2 LEU A 5 27.766 27.071 25.968 1.00 0.00 C ATOM 0 H LEU A 5 27.187 30.969 23.295 1.00 0.00 H new ATOM 0 HA LEU A 5 26.110 30.276 25.977 1.00 0.00 H new ATOM 0 HB2 LEU A 5 25.546 28.798 23.942 1.00 0.00 H new ATOM 0 HB3 LEU A 5 27.267 28.523 23.759 1.00 0.00 H new ATOM 0 HG LEU A 5 25.855 28.005 26.323 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.658 25.561 25.660 1.00 0.00 H new ATOM 0 HD12 LEU A 5 24.667 26.630 24.639 1.00 0.00 H new ATOM 0 HD13 LEU A 5 26.215 26.001 24.029 1.00 0.00 H new ATOM 0 HD21 LEU A 5 27.623 26.249 26.669 1.00 0.00 H new ATOM 0 HD22 LEU A 5 28.348 26.723 25.114 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.299 27.882 26.464 1.00 0.00 H new ATOM 91 N PHE A 6 28.384 30.454 26.954 1.00 0.00 N ATOM 92 CA PHE A 6 29.694 30.435 27.605 1.00 0.00 C ATOM 93 C PHE A 6 29.802 29.260 28.576 1.00 0.00 C ATOM 94 O PHE A 6 28.977 29.128 29.483 1.00 0.00 O ATOM 95 CB PHE A 6 29.941 31.775 28.292 1.00 0.00 C ATOM 96 CG PHE A 6 31.212 31.857 29.111 1.00 0.00 C ATOM 97 CD1 PHE A 6 32.467 31.838 28.476 1.00 0.00 C ATOM 98 CD2 PHE A 6 31.147 32.032 30.505 1.00 0.00 C ATOM 99 CE1 PHE A 6 33.639 32.001 29.234 1.00 0.00 C ATOM 100 CE2 PHE A 6 32.323 32.194 31.258 1.00 0.00 C ATOM 101 CZ PHE A 6 33.573 32.184 30.623 1.00 0.00 C ATOM 0 H PHE A 6 27.615 30.674 27.587 1.00 0.00 H new ATOM 0 HA PHE A 6 30.471 30.292 26.854 1.00 0.00 H new ATOM 0 HB2 PHE A 6 29.967 32.555 27.531 1.00 0.00 H new ATOM 0 HB3 PHE A 6 29.094 31.993 28.943 1.00 0.00 H new ATOM 0 HD1 PHE A 6 32.530 31.698 27.407 1.00 0.00 H new ATOM 0 HD2 PHE A 6 30.187 32.042 31.000 1.00 0.00 H new ATOM 0 HE1 PHE A 6 34.600 31.985 28.742 1.00 0.00 H new ATOM 0 HE2 PHE A 6 32.263 32.326 32.328 1.00 0.00 H new ATOM 0 HZ PHE A 6 34.477 32.316 31.199 1.00 0.00 H new ATOM 111 N ILE A 7 30.823 28.426 28.383 1.00 0.00 N ATOM 112 CA ILE A 7 31.188 27.349 29.312 1.00 0.00 C ATOM 113 C ILE A 7 32.025 27.941 30.448 1.00 0.00 C ATOM 114 O ILE A 7 32.894 28.775 30.195 1.00 0.00 O ATOM 115 CB ILE A 7 31.980 26.219 28.606 1.00 0.00 C ATOM 116 CG1 ILE A 7 31.396 25.765 27.249 1.00 0.00 C ATOM 117 CG2 ILE A 7 32.110 24.998 29.535 1.00 0.00 C ATOM 118 CD1 ILE A 7 30.047 25.047 27.353 1.00 0.00 C ATOM 0 H ILE A 7 31.431 28.478 27.566 1.00 0.00 H new ATOM 0 HA ILE A 7 30.272 26.906 29.703 1.00 0.00 H new ATOM 0 HB ILE A 7 32.956 26.653 28.387 1.00 0.00 H new ATOM 0 HG12 ILE A 7 31.282 26.637 26.606 1.00 0.00 H new ATOM 0 HG13 ILE A 7 32.111 25.102 26.762 1.00 0.00 H new ATOM 0 HG21 ILE A 7 32.668 24.212 29.027 1.00 0.00 H new ATOM 0 HG22 ILE A 7 32.637 25.287 30.444 1.00 0.00 H new ATOM 0 HG23 ILE A 7 31.117 24.629 29.792 1.00 0.00 H new ATOM 0 HD11 ILE A 7 29.709 24.762 26.357 1.00 0.00 H new ATOM 0 HD12 ILE A 7 30.157 24.154 27.968 1.00 0.00 H new ATOM 0 HD13 ILE A 7 29.314 25.713 27.809 1.00 0.00 H new ATOM 130 N GLY A 8 31.810 27.468 31.678 1.00 0.00 N ATOM 131 CA GLY A 8 32.682 27.751 32.820 1.00 0.00 C ATOM 132 C GLY A 8 34.080 27.136 32.676 1.00 0.00 C ATOM 133 O GLY A 8 34.490 26.717 31.595 1.00 0.00 O ATOM 0 H GLY A 8 31.017 26.871 31.911 1.00 0.00 H new ATOM 0 HA2 GLY A 8 32.777 28.830 32.939 1.00 0.00 H new ATOM 0 HA3 GLY A 8 32.216 27.370 33.729 1.00 0.00 H new ATOM 137 N ASN A 9 34.819 27.047 33.781 1.00 0.00 N ATOM 138 CA ASN A 9 36.214 26.577 33.826 1.00 0.00 C ATOM 139 C ASN A 9 36.383 25.043 33.658 1.00 0.00 C ATOM 140 O ASN A 9 37.162 24.415 34.381 1.00 0.00 O ATOM 141 CB ASN A 9 36.885 27.126 35.101 1.00 0.00 C ATOM 142 CG ASN A 9 36.351 26.529 36.394 1.00 0.00 C ATOM 143 OD1 ASN A 9 35.343 25.834 36.444 1.00 0.00 O ATOM 144 ND2 ASN A 9 37.005 26.787 37.494 1.00 0.00 N ATOM 0 H ASN A 9 34.459 27.306 34.699 1.00 0.00 H new ATOM 0 HA ASN A 9 36.727 26.975 32.950 1.00 0.00 H new ATOM 0 HB2 ASN A 9 37.957 26.938 35.043 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.752 28.207 35.131 1.00 0.00 H new ATOM 0 HD21 ASN A 9 36.676 26.411 38.383 1.00 0.00 H new ATOM 0 HD22 ASN A 9 37.845 27.364 37.464 1.00 0.00 H new ATOM 151 N LEU A 10 35.618 24.436 32.746 1.00 0.00 N ATOM 152 CA LEU A 10 35.503 22.990 32.531 1.00 0.00 C ATOM 153 C LEU A 10 36.392 22.448 31.389 1.00 0.00 C ATOM 154 O LEU A 10 37.061 21.434 31.627 1.00 0.00 O ATOM 155 CB LEU A 10 34.023 22.587 32.340 1.00 0.00 C ATOM 156 CG LEU A 10 33.026 23.110 33.392 1.00 0.00 C ATOM 157 CD1 LEU A 10 31.629 22.581 33.068 1.00 0.00 C ATOM 158 CD2 LEU A 10 33.408 22.677 34.806 1.00 0.00 C ATOM 0 H LEU A 10 35.031 24.968 32.104 1.00 0.00 H new ATOM 0 HA LEU A 10 35.887 22.517 33.435 1.00 0.00 H new ATOM 0 HB2 LEU A 10 33.698 22.936 31.360 1.00 0.00 H new ATOM 0 HB3 LEU A 10 33.965 21.499 32.327 1.00 0.00 H new ATOM 0 HG LEU A 10 33.045 24.199 33.357 1.00 0.00 H new ATOM 0 HD11 LEU A 10 30.920 22.948 33.810 1.00 0.00 H new ATOM 0 HD12 LEU A 10 31.330 22.926 32.078 1.00 0.00 H new ATOM 0 HD13 LEU A 10 31.640 21.491 33.085 1.00 0.00 H new ATOM 0 HD21 LEU A 10 32.679 23.067 35.516 1.00 0.00 H new ATOM 0 HD22 LEU A 10 33.422 21.589 34.862 1.00 0.00 H new ATOM 0 HD23 LEU A 10 34.396 23.066 35.051 1.00 0.00 H new ATOM 170 N PRO A 11 36.456 23.052 30.180 1.00 0.00 N ATOM 171 CA PRO A 11 37.242 22.532 29.059 1.00 0.00 C ATOM 172 C PRO A 11 38.727 22.922 29.174 1.00 0.00 C ATOM 173 O PRO A 11 39.239 23.756 28.426 1.00 0.00 O ATOM 174 CB PRO A 11 36.548 23.059 27.797 1.00 0.00 C ATOM 175 CG PRO A 11 36.051 24.425 28.255 1.00 0.00 C ATOM 176 CD PRO A 11 35.625 24.148 29.693 1.00 0.00 C ATOM 0 HA PRO A 11 37.270 21.443 29.039 1.00 0.00 H new ATOM 0 HB2 PRO A 11 37.236 23.137 26.955 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.730 22.412 27.481 1.00 0.00 H new ATOM 0 HG2 PRO A 11 36.833 25.182 28.201 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.220 24.781 27.646 1.00 0.00 H new ATOM 0 HD2 PRO A 11 35.756 25.036 30.312 1.00 0.00 H new ATOM 0 HD3 PRO A 11 34.569 23.881 29.738 1.00 0.00 H new ATOM 184 N LEU A 12 39.430 22.270 30.103 1.00 0.00 N ATOM 185 CA LEU A 12 40.896 22.247 30.189 1.00 0.00 C ATOM 186 C LEU A 12 41.507 21.265 29.169 1.00 0.00 C ATOM 187 O LEU A 12 42.712 21.306 28.912 1.00 0.00 O ATOM 188 CB LEU A 12 41.325 21.883 31.629 1.00 0.00 C ATOM 189 CG LEU A 12 41.225 22.988 32.702 1.00 0.00 C ATOM 190 CD1 LEU A 12 42.138 24.174 32.400 1.00 0.00 C ATOM 191 CD2 LEU A 12 39.810 23.517 32.922 1.00 0.00 C ATOM 0 H LEU A 12 38.982 21.726 30.840 1.00 0.00 H new ATOM 0 HA LEU A 12 41.272 23.240 29.944 1.00 0.00 H new ATOM 0 HB2 LEU A 12 40.719 21.039 31.958 1.00 0.00 H new ATOM 0 HB3 LEU A 12 42.359 21.539 31.595 1.00 0.00 H new ATOM 0 HG LEU A 12 41.548 22.490 33.617 1.00 0.00 H new ATOM 0 HD11 LEU A 12 42.031 24.924 33.184 1.00 0.00 H new ATOM 0 HD12 LEU A 12 43.173 23.835 32.360 1.00 0.00 H new ATOM 0 HD13 LEU A 12 41.862 24.610 31.440 1.00 0.00 H new ATOM 0 HD21 LEU A 12 39.826 24.290 33.691 1.00 0.00 H new ATOM 0 HD22 LEU A 12 39.430 23.939 31.991 1.00 0.00 H new ATOM 0 HD23 LEU A 12 39.162 22.701 33.241 1.00 0.00 H new ATOM 203 N LYS A 13 40.687 20.388 28.577 1.00 0.00 N ATOM 204 CA LYS A 13 41.043 19.466 27.491 1.00 0.00 C ATOM 205 C LYS A 13 40.972 20.141 26.113 1.00 0.00 C ATOM 206 O LYS A 13 40.142 21.024 25.880 1.00 0.00 O ATOM 207 CB LYS A 13 40.122 18.232 27.593 1.00 0.00 C ATOM 208 CG LYS A 13 40.571 16.982 26.819 1.00 0.00 C ATOM 209 CD LYS A 13 41.912 16.423 27.321 1.00 0.00 C ATOM 210 CE LYS A 13 42.212 15.026 26.774 1.00 0.00 C ATOM 211 NZ LYS A 13 42.322 14.999 25.300 1.00 0.00 N ATOM 0 H LYS A 13 39.710 20.298 28.856 1.00 0.00 H new ATOM 0 HA LYS A 13 42.081 19.152 27.598 1.00 0.00 H new ATOM 0 HB2 LYS A 13 40.022 17.966 28.645 1.00 0.00 H new ATOM 0 HB3 LYS A 13 39.130 18.515 27.240 1.00 0.00 H new ATOM 0 HG2 LYS A 13 39.805 16.211 26.906 1.00 0.00 H new ATOM 0 HG3 LYS A 13 40.658 17.227 25.760 1.00 0.00 H new ATOM 0 HD2 LYS A 13 42.715 17.102 27.032 1.00 0.00 H new ATOM 0 HD3 LYS A 13 41.901 16.387 28.410 1.00 0.00 H new ATOM 0 HE2 LYS A 13 43.143 14.662 27.210 1.00 0.00 H new ATOM 0 HE3 LYS A 13 41.424 14.341 27.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 42.814 14.132 25.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 41.371 15.017 24.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 42.859 15.829 24.977 1.00 0.00 H new ATOM 225 N ASN A 14 41.801 19.685 25.173 1.00 0.00 N ATOM 226 CA ASN A 14 41.667 19.996 23.747 1.00 0.00 C ATOM 227 C ASN A 14 40.303 19.535 23.191 1.00 0.00 C ATOM 228 O ASN A 14 39.703 18.584 23.700 1.00 0.00 O ATOM 229 CB ASN A 14 42.845 19.371 22.981 1.00 0.00 C ATOM 230 CG ASN A 14 42.748 17.864 22.901 1.00 0.00 C ATOM 231 OD1 ASN A 14 43.070 17.156 23.842 1.00 0.00 O ATOM 232 ND2 ASN A 14 42.271 17.331 21.798 1.00 0.00 N ATOM 0 H ASN A 14 42.596 19.081 25.382 1.00 0.00 H new ATOM 0 HA ASN A 14 41.698 21.077 23.612 1.00 0.00 H new ATOM 0 HB2 ASN A 14 42.879 19.784 21.973 1.00 0.00 H new ATOM 0 HB3 ASN A 14 43.779 19.646 23.470 1.00 0.00 H new ATOM 0 HD21 ASN A 14 42.168 16.319 21.724 1.00 0.00 H new ATOM 0 HD22 ASN A 14 42.004 17.929 21.016 1.00 0.00 H new ATOM 239 N VAL A 15 39.795 20.201 22.151 1.00 0.00 N ATOM 240 CA VAL A 15 38.431 20.000 21.624 1.00 0.00 C ATOM 241 C VAL A 15 38.269 20.610 20.220 1.00 0.00 C ATOM 242 O VAL A 15 39.058 21.473 19.826 1.00 0.00 O ATOM 243 CB VAL A 15 37.419 20.587 22.641 1.00 0.00 C ATOM 244 CG1 VAL A 15 37.465 22.112 22.731 1.00 0.00 C ATOM 245 CG2 VAL A 15 35.982 20.140 22.390 1.00 0.00 C ATOM 0 H VAL A 15 40.323 20.908 21.639 1.00 0.00 H new ATOM 0 HA VAL A 15 38.237 18.934 21.506 1.00 0.00 H new ATOM 0 HB VAL A 15 37.744 20.177 23.597 1.00 0.00 H new ATOM 0 HG11 VAL A 15 36.732 22.456 23.461 1.00 0.00 H new ATOM 0 HG12 VAL A 15 38.461 22.428 23.041 1.00 0.00 H new ATOM 0 HG13 VAL A 15 37.235 22.541 21.756 1.00 0.00 H new ATOM 0 HG21 VAL A 15 35.326 20.587 23.137 1.00 0.00 H new ATOM 0 HG22 VAL A 15 35.670 20.459 21.396 1.00 0.00 H new ATOM 0 HG23 VAL A 15 35.922 19.054 22.458 1.00 0.00 H new ATOM 255 N SER A 16 37.262 20.190 19.449 1.00 0.00 N ATOM 256 CA SER A 16 36.919 20.757 18.129 1.00 0.00 C ATOM 257 C SER A 16 35.453 21.215 18.046 1.00 0.00 C ATOM 258 O SER A 16 34.629 20.822 18.879 1.00 0.00 O ATOM 259 CB SER A 16 37.188 19.700 17.056 1.00 0.00 C ATOM 260 OG SER A 16 37.031 20.260 15.771 1.00 0.00 O ATOM 0 H SER A 16 36.644 19.428 19.727 1.00 0.00 H new ATOM 0 HA SER A 16 37.538 21.640 17.972 1.00 0.00 H new ATOM 0 HB2 SER A 16 38.198 19.306 17.168 1.00 0.00 H new ATOM 0 HB3 SER A 16 36.503 18.861 17.181 1.00 0.00 H new ATOM 0 HG SER A 16 37.154 19.563 15.093 1.00 0.00 H new ATOM 266 N LYS A 17 35.091 21.970 16.995 1.00 0.00 N ATOM 267 CA LYS A 17 33.687 22.239 16.633 1.00 0.00 C ATOM 268 C LYS A 17 32.856 20.960 16.498 1.00 0.00 C ATOM 269 O LYS A 17 31.690 20.954 16.876 1.00 0.00 O ATOM 270 CB LYS A 17 33.600 23.108 15.364 1.00 0.00 C ATOM 271 CG LYS A 17 34.041 22.406 14.073 1.00 0.00 C ATOM 272 CD LYS A 17 33.879 23.300 12.834 1.00 0.00 C ATOM 273 CE LYS A 17 34.399 22.628 11.553 1.00 0.00 C ATOM 274 NZ LYS A 17 33.797 21.291 11.337 1.00 0.00 N ATOM 0 H LYS A 17 35.765 22.413 16.370 1.00 0.00 H new ATOM 0 HA LYS A 17 33.250 22.801 17.458 1.00 0.00 H new ATOM 0 HB2 LYS A 17 32.571 23.448 15.243 1.00 0.00 H new ATOM 0 HB3 LYS A 17 34.215 23.997 15.506 1.00 0.00 H new ATOM 0 HG2 LYS A 17 35.084 22.104 14.165 1.00 0.00 H new ATOM 0 HG3 LYS A 17 33.456 21.496 13.940 1.00 0.00 H new ATOM 0 HD2 LYS A 17 32.826 23.552 12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 17 34.414 24.236 12.993 1.00 0.00 H new ATOM 0 HE2 LYS A 17 34.181 23.265 10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 17 35.483 22.531 11.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 33.971 20.986 10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 34.225 20.607 11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 32.772 21.340 11.508 1.00 0.00 H new ATOM 288 N GLU A 18 33.464 19.861 16.044 1.00 0.00 N ATOM 289 CA GLU A 18 32.788 18.562 15.949 1.00 0.00 C ATOM 290 C GLU A 18 32.274 18.056 17.309 1.00 0.00 C ATOM 291 O GLU A 18 31.208 17.441 17.367 1.00 0.00 O ATOM 292 CB GLU A 18 33.726 17.484 15.387 1.00 0.00 C ATOM 293 CG GLU A 18 34.125 17.628 13.916 1.00 0.00 C ATOM 294 CD GLU A 18 35.305 18.577 13.724 1.00 0.00 C ATOM 295 OE1 GLU A 18 36.429 18.270 14.191 1.00 0.00 O ATOM 296 OE2 GLU A 18 35.117 19.669 13.147 1.00 0.00 O ATOM 0 H GLU A 18 34.435 19.845 15.733 1.00 0.00 H new ATOM 0 HA GLU A 18 31.942 18.729 15.282 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.635 17.475 15.988 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.248 16.513 15.518 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.381 16.648 13.514 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.272 17.993 13.345 1.00 0.00 H new ATOM 303 N ASP A 19 33.003 18.318 18.396 1.00 0.00 N ATOM 304 CA ASP A 19 32.694 17.793 19.730 1.00 0.00 C ATOM 305 C ASP A 19 31.563 18.565 20.404 1.00 0.00 C ATOM 306 O ASP A 19 30.566 17.976 20.815 1.00 0.00 O ATOM 307 CB ASP A 19 33.941 17.844 20.609 1.00 0.00 C ATOM 308 CG ASP A 19 35.018 16.898 20.109 1.00 0.00 C ATOM 309 OD1 ASP A 19 34.750 15.672 20.048 1.00 0.00 O ATOM 310 OD2 ASP A 19 36.135 17.356 19.780 1.00 0.00 O ATOM 0 H ASP A 19 33.835 18.908 18.375 1.00 0.00 H new ATOM 0 HA ASP A 19 32.365 16.761 19.606 1.00 0.00 H new ATOM 0 HB2 ASP A 19 34.331 18.862 20.629 1.00 0.00 H new ATOM 0 HB3 ASP A 19 33.675 17.584 21.634 1.00 0.00 H new ATOM 315 N LEU A 20 31.666 19.895 20.450 1.00 0.00 N ATOM 316 CA LEU A 20 30.577 20.727 20.955 1.00 0.00 C ATOM 317 C LEU A 20 29.310 20.565 20.103 1.00 0.00 C ATOM 318 O LEU A 20 28.211 20.513 20.647 1.00 0.00 O ATOM 319 CB LEU A 20 31.053 22.180 21.101 1.00 0.00 C ATOM 320 CG LEU A 20 31.468 22.855 19.783 1.00 0.00 C ATOM 321 CD1 LEU A 20 30.323 23.632 19.134 1.00 0.00 C ATOM 322 CD2 LEU A 20 32.633 23.802 20.039 1.00 0.00 C ATOM 0 H LEU A 20 32.489 20.415 20.145 1.00 0.00 H new ATOM 0 HA LEU A 20 30.292 20.392 21.952 1.00 0.00 H new ATOM 0 HB2 LEU A 20 30.255 22.765 21.558 1.00 0.00 H new ATOM 0 HB3 LEU A 20 31.899 22.204 21.788 1.00 0.00 H new ATOM 0 HG LEU A 20 31.759 22.062 19.094 1.00 0.00 H new ATOM 0 HD11 LEU A 20 30.672 24.088 18.207 1.00 0.00 H new ATOM 0 HD12 LEU A 20 29.499 22.952 18.916 1.00 0.00 H new ATOM 0 HD13 LEU A 20 29.980 24.411 19.815 1.00 0.00 H new ATOM 0 HD21 LEU A 20 32.926 24.280 19.104 1.00 0.00 H new ATOM 0 HD22 LEU A 20 32.331 24.565 20.757 1.00 0.00 H new ATOM 0 HD23 LEU A 20 33.477 23.241 20.440 1.00 0.00 H new ATOM 334 N PHE A 21 29.439 20.406 18.781 1.00 0.00 N ATOM 335 CA PHE A 21 28.281 20.216 17.913 1.00 0.00 C ATOM 336 C PHE A 21 27.648 18.830 18.104 1.00 0.00 C ATOM 337 O PHE A 21 26.426 18.753 18.241 1.00 0.00 O ATOM 338 CB PHE A 21 28.674 20.511 16.459 1.00 0.00 C ATOM 339 CG PHE A 21 27.568 20.467 15.422 1.00 0.00 C ATOM 340 CD1 PHE A 21 26.219 20.729 15.733 1.00 0.00 C ATOM 341 CD2 PHE A 21 27.909 20.190 14.087 1.00 0.00 C ATOM 342 CE1 PHE A 21 25.233 20.664 14.734 1.00 0.00 C ATOM 343 CE2 PHE A 21 26.918 20.116 13.097 1.00 0.00 C ATOM 344 CZ PHE A 21 25.572 20.336 13.417 1.00 0.00 C ATOM 0 H PHE A 21 30.335 20.406 18.293 1.00 0.00 H new ATOM 0 HA PHE A 21 27.502 20.925 18.192 1.00 0.00 H new ATOM 0 HB2 PHE A 21 29.130 21.501 16.426 1.00 0.00 H new ATOM 0 HB3 PHE A 21 29.442 19.796 16.165 1.00 0.00 H new ATOM 0 HD1 PHE A 21 25.941 20.981 16.746 1.00 0.00 H new ATOM 0 HD2 PHE A 21 28.944 20.033 13.821 1.00 0.00 H new ATOM 0 HE1 PHE A 21 24.203 20.869 14.985 1.00 0.00 H new ATOM 0 HE2 PHE A 21 27.195 19.887 12.079 1.00 0.00 H new ATOM 0 HZ PHE A 21 24.808 20.254 12.658 1.00 0.00 H new ATOM 354 N ARG A 22 28.428 17.739 18.218 1.00 0.00 N ATOM 355 CA ARG A 22 27.860 16.403 18.480 1.00 0.00 C ATOM 356 C ARG A 22 27.177 16.340 19.847 1.00 0.00 C ATOM 357 O ARG A 22 26.049 15.856 19.936 1.00 0.00 O ATOM 358 CB ARG A 22 28.876 15.258 18.238 1.00 0.00 C ATOM 359 CG ARG A 22 29.878 15.031 19.377 1.00 0.00 C ATOM 360 CD ARG A 22 31.002 14.048 19.037 1.00 0.00 C ATOM 361 NE ARG A 22 31.918 13.869 20.188 1.00 0.00 N ATOM 362 CZ ARG A 22 31.677 13.147 21.271 1.00 0.00 C ATOM 363 NH1 ARG A 22 30.661 12.349 21.401 1.00 0.00 N ATOM 364 NH2 ARG A 22 32.458 13.187 22.303 1.00 0.00 N ATOM 0 H ARG A 22 29.444 17.755 18.134 1.00 0.00 H new ATOM 0 HA ARG A 22 27.076 16.237 17.741 1.00 0.00 H new ATOM 0 HB2 ARG A 22 28.325 14.333 18.069 1.00 0.00 H new ATOM 0 HB3 ARG A 22 29.430 15.471 17.324 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.319 15.988 19.654 1.00 0.00 H new ATOM 0 HG3 ARG A 22 29.340 14.663 20.251 1.00 0.00 H new ATOM 0 HD2 ARG A 22 30.575 13.086 18.754 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.561 14.414 18.176 1.00 0.00 H new ATOM 0 HE ARG A 22 32.818 14.347 20.141 1.00 0.00 H new ATOM 0 HH11 ARG A 22 29.989 12.250 20.640 1.00 0.00 H new ATOM 0 HH12 ARG A 22 30.535 11.821 22.264 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.284 13.786 22.295 1.00 0.00 H new ATOM 0 HH22 ARG A 22 32.248 12.620 23.124 1.00 0.00 H new ATOM 378 N ILE A 23 27.804 16.877 20.900 1.00 0.00 N ATOM 379 CA ILE A 23 27.264 16.757 22.261 1.00 0.00 C ATOM 380 C ILE A 23 26.109 17.730 22.541 1.00 0.00 C ATOM 381 O ILE A 23 25.213 17.357 23.298 1.00 0.00 O ATOM 382 CB ILE A 23 28.361 16.780 23.354 1.00 0.00 C ATOM 383 CG1 ILE A 23 29.057 18.148 23.534 1.00 0.00 C ATOM 384 CG2 ILE A 23 29.407 15.677 23.105 1.00 0.00 C ATOM 385 CD1 ILE A 23 28.555 18.899 24.767 1.00 0.00 C ATOM 0 H ILE A 23 28.680 17.396 20.838 1.00 0.00 H new ATOM 0 HA ILE A 23 26.822 15.762 22.313 1.00 0.00 H new ATOM 0 HB ILE A 23 27.836 16.588 24.290 1.00 0.00 H new ATOM 0 HG12 ILE A 23 30.133 17.997 23.617 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.888 18.758 22.647 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.167 15.713 23.886 1.00 0.00 H new ATOM 0 HG22 ILE A 23 28.919 14.703 23.119 1.00 0.00 H new ATOM 0 HG23 ILE A 23 29.877 15.833 22.134 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.075 19.853 24.848 1.00 0.00 H new ATOM 0 HD12 ILE A 23 27.484 19.076 24.674 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.748 18.303 25.659 1.00 0.00 H new ATOM 397 N PHE A 24 26.069 18.919 21.920 1.00 0.00 N ATOM 398 CA PHE A 24 24.966 19.881 22.091 1.00 0.00 C ATOM 399 C PHE A 24 23.832 19.782 21.053 1.00 0.00 C ATOM 400 O PHE A 24 22.763 20.331 21.314 1.00 0.00 O ATOM 401 CB PHE A 24 25.495 21.322 22.173 1.00 0.00 C ATOM 402 CG PHE A 24 26.406 21.654 23.346 1.00 0.00 C ATOM 403 CD1 PHE A 24 26.031 21.321 24.664 1.00 0.00 C ATOM 404 CD2 PHE A 24 27.586 22.394 23.136 1.00 0.00 C ATOM 405 CE1 PHE A 24 26.817 21.738 25.753 1.00 0.00 C ATOM 406 CE2 PHE A 24 28.374 22.808 24.226 1.00 0.00 C ATOM 407 CZ PHE A 24 27.983 22.487 25.536 1.00 0.00 C ATOM 0 H PHE A 24 26.799 19.242 21.285 1.00 0.00 H new ATOM 0 HA PHE A 24 24.507 19.598 23.038 1.00 0.00 H new ATOM 0 HB2 PHE A 24 26.036 21.538 21.252 1.00 0.00 H new ATOM 0 HB3 PHE A 24 24.639 21.996 22.206 1.00 0.00 H new ATOM 0 HD1 PHE A 24 25.136 20.743 24.838 1.00 0.00 H new ATOM 0 HD2 PHE A 24 27.888 22.646 22.130 1.00 0.00 H new ATOM 0 HE1 PHE A 24 26.522 21.481 26.760 1.00 0.00 H new ATOM 0 HE2 PHE A 24 29.279 23.372 24.055 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.579 22.816 26.375 1.00 0.00 H new ATOM 417 N SER A 25 23.998 19.082 19.921 1.00 0.00 N ATOM 418 CA SER A 25 22.946 18.922 18.889 1.00 0.00 C ATOM 419 C SER A 25 21.544 18.570 19.426 1.00 0.00 C ATOM 420 O SER A 25 20.582 19.257 19.067 1.00 0.00 O ATOM 421 CB SER A 25 23.339 17.858 17.858 1.00 0.00 C ATOM 422 OG SER A 25 24.193 18.404 16.879 1.00 0.00 O ATOM 0 H SER A 25 24.869 18.605 19.688 1.00 0.00 H new ATOM 0 HA SER A 25 22.877 19.912 18.437 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.836 17.026 18.358 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.444 17.456 17.383 1.00 0.00 H new ATOM 0 HG SER A 25 25.062 18.611 17.282 1.00 0.00 H new ATOM 428 N PRO A 26 21.373 17.574 20.321 1.00 0.00 N ATOM 429 CA PRO A 26 20.049 17.246 20.847 1.00 0.00 C ATOM 430 C PRO A 26 19.524 18.246 21.897 1.00 0.00 C ATOM 431 O PRO A 26 18.378 18.125 22.324 1.00 0.00 O ATOM 432 CB PRO A 26 20.177 15.813 21.363 1.00 0.00 C ATOM 433 CG PRO A 26 21.634 15.713 21.798 1.00 0.00 C ATOM 434 CD PRO A 26 22.353 16.587 20.773 1.00 0.00 C ATOM 0 HA PRO A 26 19.286 17.322 20.072 1.00 0.00 H new ATOM 0 HB2 PRO A 26 19.497 15.625 22.194 1.00 0.00 H new ATOM 0 HB3 PRO A 26 19.940 15.085 20.587 1.00 0.00 H new ATOM 0 HG2 PRO A 26 21.779 16.079 22.814 1.00 0.00 H new ATOM 0 HG3 PRO A 26 21.993 14.684 21.776 1.00 0.00 H new ATOM 0 HD2 PRO A 26 23.221 17.075 21.217 1.00 0.00 H new ATOM 0 HD3 PRO A 26 22.717 15.989 19.938 1.00 0.00 H new ATOM 442 N TYR A 27 20.298 19.260 22.295 1.00 0.00 N ATOM 443 CA TYR A 27 19.908 20.295 23.268 1.00 0.00 C ATOM 444 C TYR A 27 19.628 21.662 22.617 1.00 0.00 C ATOM 445 O TYR A 27 18.837 22.438 23.161 1.00 0.00 O ATOM 446 CB TYR A 27 21.001 20.439 24.337 1.00 0.00 C ATOM 447 CG TYR A 27 21.357 19.168 25.090 1.00 0.00 C ATOM 448 CD1 TYR A 27 22.282 18.260 24.542 1.00 0.00 C ATOM 449 CD2 TYR A 27 20.775 18.888 26.341 1.00 0.00 C ATOM 450 CE1 TYR A 27 22.615 17.080 25.229 1.00 0.00 C ATOM 451 CE2 TYR A 27 21.109 17.706 27.031 1.00 0.00 C ATOM 452 CZ TYR A 27 22.036 16.800 26.478 1.00 0.00 C ATOM 453 OH TYR A 27 22.393 15.669 27.140 1.00 0.00 O ATOM 0 H TYR A 27 21.245 19.391 21.939 1.00 0.00 H new ATOM 0 HA TYR A 27 18.974 19.967 23.723 1.00 0.00 H new ATOM 0 HB2 TYR A 27 21.903 20.821 23.859 1.00 0.00 H new ATOM 0 HB3 TYR A 27 20.681 21.190 25.059 1.00 0.00 H new ATOM 0 HD1 TYR A 27 22.739 18.471 23.587 1.00 0.00 H new ATOM 0 HD2 TYR A 27 20.070 19.582 26.773 1.00 0.00 H new ATOM 0 HE1 TYR A 27 23.319 16.386 24.795 1.00 0.00 H new ATOM 0 HE2 TYR A 27 20.653 17.494 27.987 1.00 0.00 H new ATOM 0 HH TYR A 27 21.906 15.619 27.989 1.00 0.00 H new ATOM 463 N GLY A 28 20.244 21.951 21.462 1.00 0.00 N ATOM 464 CA GLY A 28 20.154 23.253 20.798 1.00 0.00 C ATOM 465 C GLY A 28 20.581 23.274 19.323 1.00 0.00 C ATOM 466 O GLY A 28 21.026 22.279 18.747 1.00 0.00 O ATOM 0 H GLY A 28 20.824 21.279 20.960 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.125 23.605 20.865 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.771 23.965 21.347 1.00 0.00 H new ATOM 470 N HIS A 29 20.430 24.438 18.689 1.00 0.00 N ATOM 471 CA HIS A 29 20.503 24.598 17.229 1.00 0.00 C ATOM 472 C HIS A 29 21.872 25.058 16.688 1.00 0.00 C ATOM 473 O HIS A 29 22.134 24.829 15.516 1.00 0.00 O ATOM 474 CB HIS A 29 19.364 25.524 16.773 1.00 0.00 C ATOM 475 CG HIS A 29 17.957 25.033 17.031 1.00 0.00 C ATOM 476 ND1 HIS A 29 16.845 25.866 17.182 1.00 0.00 N ATOM 477 CD2 HIS A 29 17.543 23.734 17.128 1.00 0.00 C ATOM 478 CE1 HIS A 29 15.793 25.053 17.376 1.00 0.00 C ATOM 479 NE2 HIS A 29 16.184 23.773 17.341 1.00 0.00 N ATOM 0 H HIS A 29 20.250 25.313 19.181 1.00 0.00 H new ATOM 0 HA HIS A 29 20.381 23.605 16.796 1.00 0.00 H new ATOM 0 HB2 HIS A 29 19.487 26.487 17.269 1.00 0.00 H new ATOM 0 HB3 HIS A 29 19.474 25.700 15.703 1.00 0.00 H new ATOM 0 HD2 HIS A 29 18.161 22.851 17.052 1.00 0.00 H new ATOM 0 HE1 HIS A 29 14.778 25.384 17.537 1.00 0.00 H new ATOM 0 HE2 HIS A 29 15.576 22.962 17.453 1.00 0.00 H new ATOM 487 N ILE A 30 22.757 25.620 17.524 1.00 0.00 N ATOM 488 CA ILE A 30 24.151 26.044 17.216 1.00 0.00 C ATOM 489 C ILE A 30 24.299 27.097 16.079 1.00 0.00 C ATOM 490 O ILE A 30 23.401 27.287 15.266 1.00 0.00 O ATOM 491 CB ILE A 30 25.097 24.807 17.140 1.00 0.00 C ATOM 492 CG1 ILE A 30 26.400 24.945 17.971 1.00 0.00 C ATOM 493 CG2 ILE A 30 25.394 24.313 15.718 1.00 0.00 C ATOM 494 CD1 ILE A 30 27.634 25.568 17.300 1.00 0.00 C ATOM 0 H ILE A 30 22.514 25.807 18.497 1.00 0.00 H new ATOM 0 HA ILE A 30 24.497 26.638 18.062 1.00 0.00 H new ATOM 0 HB ILE A 30 24.503 24.027 17.617 1.00 0.00 H new ATOM 0 HG12 ILE A 30 26.168 25.539 18.855 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.678 23.950 18.319 1.00 0.00 H new ATOM 0 HG21 ILE A 30 26.059 23.451 15.764 1.00 0.00 H new ATOM 0 HG22 ILE A 30 24.462 24.027 15.230 1.00 0.00 H new ATOM 0 HG23 ILE A 30 25.872 25.110 15.148 1.00 0.00 H new ATOM 0 HD11 ILE A 30 28.460 25.594 18.010 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.918 24.970 16.434 1.00 0.00 H new ATOM 0 HD13 ILE A 30 27.400 26.583 16.979 1.00 0.00 H new ATOM 506 N MET A 31 25.414 27.839 16.044 1.00 0.00 N ATOM 507 CA MET A 31 25.790 28.780 14.969 1.00 0.00 C ATOM 508 C MET A 31 27.293 28.716 14.644 1.00 0.00 C ATOM 509 O MET A 31 27.647 28.356 13.518 1.00 0.00 O ATOM 510 CB MET A 31 25.400 30.236 15.310 1.00 0.00 C ATOM 511 CG MET A 31 23.942 30.628 15.035 1.00 0.00 C ATOM 512 SD MET A 31 23.561 31.130 13.333 1.00 0.00 S ATOM 513 CE MET A 31 22.855 29.619 12.638 1.00 0.00 C ATOM 0 H MET A 31 26.108 27.802 16.790 1.00 0.00 H new ATOM 0 HA MET A 31 25.229 28.465 14.089 1.00 0.00 H new ATOM 0 HB2 MET A 31 25.608 30.408 16.366 1.00 0.00 H new ATOM 0 HB3 MET A 31 26.048 30.906 14.744 1.00 0.00 H new ATOM 0 HG2 MET A 31 23.304 29.783 15.295 1.00 0.00 H new ATOM 0 HG3 MET A 31 23.674 31.447 15.703 1.00 0.00 H new ATOM 0 HE1 MET A 31 23.280 29.439 11.651 1.00 0.00 H new ATOM 0 HE2 MET A 31 23.084 28.777 13.291 1.00 0.00 H new ATOM 0 HE3 MET A 31 21.774 29.728 12.553 1.00 0.00 H new ATOM 523 N GLN A 32 28.173 29.062 15.593 1.00 0.00 N ATOM 524 CA GLN A 32 29.620 29.271 15.382 1.00 0.00 C ATOM 525 C GLN A 32 30.417 29.002 16.674 1.00 0.00 C ATOM 526 O GLN A 32 29.828 28.819 17.737 1.00 0.00 O ATOM 527 CB GLN A 32 29.833 30.709 14.849 1.00 0.00 C ATOM 528 CG GLN A 32 31.248 31.061 14.352 1.00 0.00 C ATOM 529 CD GLN A 32 31.825 29.981 13.448 1.00 0.00 C ATOM 530 OE1 GLN A 32 32.672 29.194 13.854 1.00 0.00 O ATOM 531 NE2 GLN A 32 31.313 29.833 12.252 1.00 0.00 N ATOM 0 H GLN A 32 27.892 29.210 16.562 1.00 0.00 H new ATOM 0 HA GLN A 32 29.996 28.562 14.645 1.00 0.00 H new ATOM 0 HB2 GLN A 32 29.134 30.875 14.030 1.00 0.00 H new ATOM 0 HB3 GLN A 32 29.567 31.408 15.642 1.00 0.00 H new ATOM 0 HG2 GLN A 32 31.216 32.007 13.811 1.00 0.00 H new ATOM 0 HG3 GLN A 32 31.907 31.206 15.208 1.00 0.00 H new ATOM 0 HE21 GLN A 32 30.608 30.488 11.914 1.00 0.00 H new ATOM 0 HE22 GLN A 32 31.619 29.062 11.658 1.00 0.00 H new ATOM 540 N ILE A 33 31.751 28.939 16.609 1.00 0.00 N ATOM 541 CA ILE A 33 32.610 28.509 17.725 1.00 0.00 C ATOM 542 C ILE A 33 33.777 29.474 17.980 1.00 0.00 C ATOM 543 O ILE A 33 34.317 30.084 17.053 1.00 0.00 O ATOM 544 CB ILE A 33 33.105 27.057 17.501 1.00 0.00 C ATOM 545 CG1 ILE A 33 34.225 26.947 16.441 1.00 0.00 C ATOM 546 CG2 ILE A 33 31.944 26.125 17.109 1.00 0.00 C ATOM 547 CD1 ILE A 33 35.619 26.791 17.065 1.00 0.00 C ATOM 0 H ILE A 33 32.275 29.188 15.770 1.00 0.00 H new ATOM 0 HA ILE A 33 32.001 28.529 18.629 1.00 0.00 H new ATOM 0 HB ILE A 33 33.524 26.744 18.457 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.024 26.094 15.793 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.211 27.836 15.810 1.00 0.00 H new ATOM 0 HG21 ILE A 33 32.324 25.114 16.959 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.198 26.118 17.904 1.00 0.00 H new ATOM 0 HG23 ILE A 33 31.487 26.482 16.186 1.00 0.00 H new ATOM 0 HD11 ILE A 33 36.366 26.718 16.274 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.836 27.656 17.691 1.00 0.00 H new ATOM 0 HD13 ILE A 33 35.646 25.887 17.674 1.00 0.00 H new ATOM 559 N ASN A 34 34.215 29.561 19.236 1.00 0.00 N ATOM 560 CA ASN A 34 35.470 30.198 19.643 1.00 0.00 C ATOM 561 C ASN A 34 35.910 29.605 20.992 1.00 0.00 C ATOM 562 O ASN A 34 35.085 29.466 21.896 1.00 0.00 O ATOM 563 CB ASN A 34 35.231 31.709 19.738 1.00 0.00 C ATOM 564 CG ASN A 34 36.488 32.542 19.847 1.00 0.00 C ATOM 565 OD1 ASN A 34 37.614 32.058 19.846 1.00 0.00 O ATOM 566 ND2 ASN A 34 36.314 33.835 19.928 1.00 0.00 N ATOM 0 H ASN A 34 33.691 29.179 20.023 1.00 0.00 H new ATOM 0 HA ASN A 34 36.265 30.017 18.919 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.673 32.031 18.858 1.00 0.00 H new ATOM 0 HB3 ASN A 34 34.602 31.910 20.605 1.00 0.00 H new ATOM 0 HD21 ASN A 34 37.121 34.455 19.991 1.00 0.00 H new ATOM 0 HD22 ASN A 34 35.371 34.224 19.928 1.00 0.00 H new ATOM 573 N ILE A 35 37.172 29.186 21.136 1.00 0.00 N ATOM 574 CA ILE A 35 37.625 28.405 22.306 1.00 0.00 C ATOM 575 C ILE A 35 39.043 28.817 22.704 1.00 0.00 C ATOM 576 O ILE A 35 39.970 28.716 21.893 1.00 0.00 O ATOM 577 CB ILE A 35 37.526 26.881 22.045 1.00 0.00 C ATOM 578 CG1 ILE A 35 36.104 26.484 21.582 1.00 0.00 C ATOM 579 CG2 ILE A 35 37.903 26.119 23.328 1.00 0.00 C ATOM 580 CD1 ILE A 35 35.885 24.993 21.352 1.00 0.00 C ATOM 0 H ILE A 35 37.907 29.374 20.454 1.00 0.00 H new ATOM 0 HA ILE A 35 36.961 28.627 23.141 1.00 0.00 H new ATOM 0 HB ILE A 35 38.219 26.617 21.246 1.00 0.00 H new ATOM 0 HG12 ILE A 35 35.388 26.829 22.328 1.00 0.00 H new ATOM 0 HG13 ILE A 35 35.880 27.014 20.656 1.00 0.00 H new ATOM 0 HG21 ILE A 35 37.834 25.046 23.148 1.00 0.00 H new ATOM 0 HG22 ILE A 35 38.923 26.374 23.616 1.00 0.00 H new ATOM 0 HG23 ILE A 35 37.219 26.396 24.130 1.00 0.00 H new ATOM 0 HD11 ILE A 35 34.858 24.821 21.030 1.00 0.00 H new ATOM 0 HD12 ILE A 35 36.570 24.639 20.582 1.00 0.00 H new ATOM 0 HD13 ILE A 35 36.070 24.451 22.279 1.00 0.00 H new ATOM 592 N LYS A 36 39.193 29.291 23.947 1.00 0.00 N ATOM 593 CA LYS A 36 40.426 29.856 24.518 1.00 0.00 C ATOM 594 C LYS A 36 40.489 29.582 26.025 1.00 0.00 C ATOM 595 O LYS A 36 39.459 29.359 26.666 1.00 0.00 O ATOM 596 CB LYS A 36 40.496 31.378 24.267 1.00 0.00 C ATOM 597 CG LYS A 36 40.384 31.765 22.786 1.00 0.00 C ATOM 598 CD LYS A 36 40.592 33.262 22.552 1.00 0.00 C ATOM 599 CE LYS A 36 40.357 33.526 21.064 1.00 0.00 C ATOM 600 NZ LYS A 36 40.708 34.907 20.683 1.00 0.00 N ATOM 0 H LYS A 36 38.422 29.292 24.615 1.00 0.00 H new ATOM 0 HA LYS A 36 41.275 29.378 24.029 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.695 31.866 24.822 1.00 0.00 H new ATOM 0 HB3 LYS A 36 41.437 31.760 24.663 1.00 0.00 H new ATOM 0 HG2 LYS A 36 41.122 31.205 22.211 1.00 0.00 H new ATOM 0 HG3 LYS A 36 39.402 31.476 22.412 1.00 0.00 H new ATOM 0 HD2 LYS A 36 39.901 33.846 23.160 1.00 0.00 H new ATOM 0 HD3 LYS A 36 41.600 33.560 22.841 1.00 0.00 H new ATOM 0 HE2 LYS A 36 40.949 32.826 20.474 1.00 0.00 H new ATOM 0 HE3 LYS A 36 39.310 33.339 20.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 40.533 35.042 19.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 40.125 35.576 21.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.713 35.079 20.887 1.00 0.00 H new ATOM 614 N ASN A 37 41.691 29.655 26.596 1.00 0.00 N ATOM 615 CA ASN A 37 41.943 29.519 28.033 1.00 0.00 C ATOM 616 C ASN A 37 41.318 28.228 28.629 1.00 0.00 C ATOM 617 O ASN A 37 41.431 27.159 28.025 1.00 0.00 O ATOM 618 CB ASN A 37 41.543 30.861 28.682 1.00 0.00 C ATOM 619 CG ASN A 37 42.009 31.014 30.114 1.00 0.00 C ATOM 620 OD1 ASN A 37 42.668 30.149 30.674 1.00 0.00 O ATOM 621 ND2 ASN A 37 41.624 32.084 30.755 1.00 0.00 N ATOM 0 H ASN A 37 42.542 29.815 26.057 1.00 0.00 H new ATOM 0 HA ASN A 37 42.997 29.353 28.256 1.00 0.00 H new ATOM 0 HB2 ASN A 37 41.954 31.677 28.088 1.00 0.00 H new ATOM 0 HB3 ASN A 37 40.458 30.959 28.651 1.00 0.00 H new ATOM 0 HD21 ASN A 37 41.872 32.208 31.737 1.00 0.00 H new ATOM 0 HD22 ASN A 37 41.075 32.797 30.274 1.00 0.00 H new ATOM 628 N ALA A 38 40.696 28.278 29.810 1.00 0.00 N ATOM 629 CA ALA A 38 40.027 27.155 30.477 1.00 0.00 C ATOM 630 C ALA A 38 38.522 27.045 30.137 1.00 0.00 C ATOM 631 O ALA A 38 37.795 26.329 30.822 1.00 0.00 O ATOM 632 CB ALA A 38 40.278 27.306 31.985 1.00 0.00 C ATOM 0 H ALA A 38 40.642 29.140 30.352 1.00 0.00 H new ATOM 0 HA ALA A 38 40.446 26.217 30.113 1.00 0.00 H new ATOM 0 HB1 ALA A 38 39.795 26.487 32.518 1.00 0.00 H new ATOM 0 HB2 ALA A 38 41.350 27.283 32.179 1.00 0.00 H new ATOM 0 HB3 ALA A 38 39.867 28.255 32.329 1.00 0.00 H new ATOM 638 N PHE A 39 38.054 27.784 29.123 1.00 0.00 N ATOM 639 CA PHE A 39 36.642 28.106 28.883 1.00 0.00 C ATOM 640 C PHE A 39 36.235 27.822 27.419 1.00 0.00 C ATOM 641 O PHE A 39 37.006 27.245 26.642 1.00 0.00 O ATOM 642 CB PHE A 39 36.426 29.588 29.251 1.00 0.00 C ATOM 643 CG PHE A 39 36.827 29.982 30.666 1.00 0.00 C ATOM 644 CD1 PHE A 39 35.906 29.855 31.721 1.00 0.00 C ATOM 645 CD2 PHE A 39 38.108 30.504 30.929 1.00 0.00 C ATOM 646 CE1 PHE A 39 36.267 30.222 33.030 1.00 0.00 C ATOM 647 CE2 PHE A 39 38.477 30.860 32.238 1.00 0.00 C ATOM 648 CZ PHE A 39 37.557 30.714 33.291 1.00 0.00 C ATOM 0 H PHE A 39 38.673 28.189 28.421 1.00 0.00 H new ATOM 0 HA PHE A 39 36.007 27.472 29.502 1.00 0.00 H new ATOM 0 HB2 PHE A 39 36.989 30.203 28.549 1.00 0.00 H new ATOM 0 HB3 PHE A 39 35.372 29.828 29.112 1.00 0.00 H new ATOM 0 HD1 PHE A 39 34.915 29.473 31.525 1.00 0.00 H new ATOM 0 HD2 PHE A 39 38.812 30.632 30.120 1.00 0.00 H new ATOM 0 HE1 PHE A 39 35.553 30.126 33.834 1.00 0.00 H new ATOM 0 HE2 PHE A 39 39.467 31.245 32.435 1.00 0.00 H new ATOM 0 HZ PHE A 39 37.841 30.979 34.299 1.00 0.00 H new ATOM 658 N GLY A 40 35.017 28.215 27.031 1.00 0.00 N ATOM 659 CA GLY A 40 34.532 28.162 25.645 1.00 0.00 C ATOM 660 C GLY A 40 33.467 29.226 25.365 1.00 0.00 C ATOM 661 O GLY A 40 32.559 29.409 26.172 1.00 0.00 O ATOM 0 H GLY A 40 34.326 28.586 27.683 1.00 0.00 H new ATOM 0 HA2 GLY A 40 35.371 28.301 24.963 1.00 0.00 H new ATOM 0 HA3 GLY A 40 34.118 27.174 25.444 1.00 0.00 H new ATOM 665 N PHE A 41 33.573 29.911 24.224 1.00 0.00 N ATOM 666 CA PHE A 41 32.809 31.107 23.835 1.00 0.00 C ATOM 667 C PHE A 41 31.987 30.815 22.567 1.00 0.00 C ATOM 668 O PHE A 41 32.260 31.314 21.473 1.00 0.00 O ATOM 669 CB PHE A 41 33.779 32.288 23.637 1.00 0.00 C ATOM 670 CG PHE A 41 34.709 32.570 24.798 1.00 0.00 C ATOM 671 CD1 PHE A 41 35.966 31.938 24.868 1.00 0.00 C ATOM 672 CD2 PHE A 41 34.332 33.480 25.799 1.00 0.00 C ATOM 673 CE1 PHE A 41 36.833 32.204 25.942 1.00 0.00 C ATOM 674 CE2 PHE A 41 35.211 33.761 26.858 1.00 0.00 C ATOM 675 CZ PHE A 41 36.460 33.124 26.934 1.00 0.00 C ATOM 0 H PHE A 41 34.234 29.631 23.500 1.00 0.00 H new ATOM 0 HA PHE A 41 32.106 31.377 24.623 1.00 0.00 H new ATOM 0 HB2 PHE A 41 34.382 32.095 22.750 1.00 0.00 H new ATOM 0 HB3 PHE A 41 33.194 33.186 23.436 1.00 0.00 H new ATOM 0 HD1 PHE A 41 36.265 31.247 24.094 1.00 0.00 H new ATOM 0 HD2 PHE A 41 33.367 33.963 25.755 1.00 0.00 H new ATOM 0 HE1 PHE A 41 37.786 31.700 26.004 1.00 0.00 H new ATOM 0 HE2 PHE A 41 34.924 34.472 27.619 1.00 0.00 H new ATOM 0 HZ PHE A 41 37.131 33.341 27.752 1.00 0.00 H new ATOM 685 N ILE A 42 31.029 29.901 22.694 1.00 0.00 N ATOM 686 CA ILE A 42 30.319 29.282 21.570 1.00 0.00 C ATOM 687 C ILE A 42 29.084 30.121 21.199 1.00 0.00 C ATOM 688 O ILE A 42 28.405 30.679 22.058 1.00 0.00 O ATOM 689 CB ILE A 42 29.973 27.809 21.907 1.00 0.00 C ATOM 690 CG1 ILE A 42 31.203 27.015 22.424 1.00 0.00 C ATOM 691 CG2 ILE A 42 29.398 27.110 20.661 1.00 0.00 C ATOM 692 CD1 ILE A 42 30.859 25.649 23.026 1.00 0.00 C ATOM 0 H ILE A 42 30.715 29.559 23.602 1.00 0.00 H new ATOM 0 HA ILE A 42 30.961 29.262 20.690 1.00 0.00 H new ATOM 0 HB ILE A 42 29.233 27.826 22.707 1.00 0.00 H new ATOM 0 HG12 ILE A 42 31.901 26.871 21.600 1.00 0.00 H new ATOM 0 HG13 ILE A 42 31.717 27.613 23.177 1.00 0.00 H new ATOM 0 HG21 ILE A 42 29.157 26.075 20.903 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.495 27.627 20.338 1.00 0.00 H new ATOM 0 HG23 ILE A 42 30.135 27.132 19.859 1.00 0.00 H new ATOM 0 HD11 ILE A 42 31.773 25.159 23.363 1.00 0.00 H new ATOM 0 HD12 ILE A 42 30.186 25.784 23.873 1.00 0.00 H new ATOM 0 HD13 ILE A 42 30.373 25.031 22.271 1.00 0.00 H new ATOM 704 N GLN A 43 28.751 30.193 19.916 1.00 0.00 N ATOM 705 CA GLN A 43 27.587 30.910 19.399 1.00 0.00 C ATOM 706 C GLN A 43 26.526 29.923 18.901 1.00 0.00 C ATOM 707 O GLN A 43 26.828 28.876 18.324 1.00 0.00 O ATOM 708 CB GLN A 43 28.026 31.877 18.300 1.00 0.00 C ATOM 709 CG GLN A 43 28.989 32.954 18.826 1.00 0.00 C ATOM 710 CD GLN A 43 29.446 33.860 17.696 1.00 0.00 C ATOM 711 OE1 GLN A 43 30.446 33.602 17.045 1.00 0.00 O ATOM 712 NE2 GLN A 43 28.715 34.910 17.400 1.00 0.00 N ATOM 0 H GLN A 43 29.298 29.741 19.183 1.00 0.00 H new ATOM 0 HA GLN A 43 27.133 31.493 20.200 1.00 0.00 H new ATOM 0 HB2 GLN A 43 28.510 31.319 17.499 1.00 0.00 H new ATOM 0 HB3 GLN A 43 27.148 32.357 17.868 1.00 0.00 H new ATOM 0 HG2 GLN A 43 28.495 33.546 19.597 1.00 0.00 H new ATOM 0 HG3 GLN A 43 29.853 32.481 19.292 1.00 0.00 H new ATOM 0 HE21 GLN A 43 27.880 35.121 17.947 1.00 0.00 H new ATOM 0 HE22 GLN A 43 28.982 35.514 16.623 1.00 0.00 H new ATOM 721 N PHE A 44 25.261 30.266 19.117 1.00 0.00 N ATOM 722 CA PHE A 44 24.112 29.386 18.929 1.00 0.00 C ATOM 723 C PHE A 44 22.965 30.069 18.184 1.00 0.00 C ATOM 724 O PHE A 44 22.925 31.289 18.066 1.00 0.00 O ATOM 725 CB PHE A 44 23.654 28.875 20.302 1.00 0.00 C ATOM 726 CG PHE A 44 24.309 27.585 20.750 1.00 0.00 C ATOM 727 CD1 PHE A 44 25.622 27.582 21.249 1.00 0.00 C ATOM 728 CD2 PHE A 44 23.590 26.378 20.686 1.00 0.00 C ATOM 729 CE1 PHE A 44 26.208 26.376 21.668 1.00 0.00 C ATOM 730 CE2 PHE A 44 24.172 25.170 21.108 1.00 0.00 C ATOM 731 CZ PHE A 44 25.486 25.172 21.599 1.00 0.00 C ATOM 0 H PHE A 44 24.997 31.197 19.439 1.00 0.00 H new ATOM 0 HA PHE A 44 24.418 28.548 18.302 1.00 0.00 H new ATOM 0 HB2 PHE A 44 23.855 29.646 21.046 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.574 28.729 20.278 1.00 0.00 H new ATOM 0 HD1 PHE A 44 26.180 28.505 21.310 1.00 0.00 H new ATOM 0 HD2 PHE A 44 22.578 26.379 20.308 1.00 0.00 H new ATOM 0 HE1 PHE A 44 27.220 26.374 22.046 1.00 0.00 H new ATOM 0 HE2 PHE A 44 23.612 24.248 21.055 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.943 24.249 21.924 1.00 0.00 H new ATOM 741 N ASP A 45 22.016 29.265 17.719 1.00 0.00 N ATOM 742 CA ASP A 45 20.698 29.714 17.274 1.00 0.00 C ATOM 743 C ASP A 45 19.668 29.442 18.387 1.00 0.00 C ATOM 744 O ASP A 45 19.701 28.376 19.006 1.00 0.00 O ATOM 745 CB ASP A 45 20.392 29.026 15.935 1.00 0.00 C ATOM 746 CG ASP A 45 18.985 29.284 15.406 1.00 0.00 C ATOM 747 OD1 ASP A 45 18.404 30.346 15.695 1.00 0.00 O ATOM 748 OD2 ASP A 45 18.471 28.429 14.639 1.00 0.00 O ATOM 0 H ASP A 45 22.143 28.256 17.638 1.00 0.00 H new ATOM 0 HA ASP A 45 20.659 30.788 17.095 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.115 29.364 15.192 1.00 0.00 H new ATOM 0 HB3 ASP A 45 20.533 27.951 16.051 1.00 0.00 H new ATOM 753 N ASN A 46 18.788 30.418 18.640 1.00 0.00 N ATOM 754 CA ASN A 46 17.805 30.525 19.732 1.00 0.00 C ATOM 755 C ASN A 46 18.375 30.504 21.188 1.00 0.00 C ATOM 756 O ASN A 46 19.463 29.980 21.443 1.00 0.00 O ATOM 757 CB ASN A 46 16.577 29.635 19.429 1.00 0.00 C ATOM 758 CG ASN A 46 16.393 28.409 20.302 1.00 0.00 C ATOM 759 OD1 ASN A 46 16.233 28.491 21.510 1.00 0.00 O ATOM 760 ND2 ASN A 46 16.370 27.230 19.736 1.00 0.00 N ATOM 0 H ASN A 46 18.739 31.233 18.028 1.00 0.00 H new ATOM 0 HA ASN A 46 17.436 31.551 19.741 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.681 30.251 19.514 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.642 29.307 18.391 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.220 26.395 20.303 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.502 27.145 18.728 1.00 0.00 H new ATOM 767 N PRO A 47 17.689 31.116 22.178 1.00 0.00 N ATOM 768 CA PRO A 47 18.201 31.250 23.549 1.00 0.00 C ATOM 769 C PRO A 47 17.887 30.043 24.453 1.00 0.00 C ATOM 770 O PRO A 47 18.686 29.708 25.327 1.00 0.00 O ATOM 771 CB PRO A 47 17.562 32.537 24.066 1.00 0.00 C ATOM 772 CG PRO A 47 16.186 32.516 23.403 1.00 0.00 C ATOM 773 CD PRO A 47 16.459 31.886 22.036 1.00 0.00 C ATOM 0 HA PRO A 47 19.290 31.286 23.557 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.488 32.544 25.153 1.00 0.00 H new ATOM 0 HB3 PRO A 47 18.136 33.418 23.780 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.471 31.929 23.980 1.00 0.00 H new ATOM 0 HG3 PRO A 47 15.771 33.519 23.307 1.00 0.00 H new ATOM 0 HD2 PRO A 47 15.632 31.245 21.731 1.00 0.00 H new ATOM 0 HD3 PRO A 47 16.567 32.653 21.269 1.00 0.00 H new ATOM 781 N GLN A 48 16.775 29.338 24.217 1.00 0.00 N ATOM 782 CA GLN A 48 16.402 28.124 24.959 1.00 0.00 C ATOM 783 C GLN A 48 17.393 26.983 24.662 1.00 0.00 C ATOM 784 O GLN A 48 17.882 26.306 25.565 1.00 0.00 O ATOM 785 CB GLN A 48 14.955 27.727 24.628 1.00 0.00 C ATOM 786 CG GLN A 48 13.956 28.843 24.986 1.00 0.00 C ATOM 787 CD GLN A 48 12.519 28.351 24.874 1.00 0.00 C ATOM 788 OE1 GLN A 48 11.850 28.104 25.878 1.00 0.00 O ATOM 789 NE2 GLN A 48 11.985 28.236 23.675 1.00 0.00 N ATOM 0 H GLN A 48 16.100 29.596 23.497 1.00 0.00 H new ATOM 0 HA GLN A 48 16.454 28.328 26.029 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.876 27.496 23.566 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.695 26.819 25.172 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.146 29.193 26.001 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.105 29.695 24.322 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.543 28.442 22.846 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.014 27.941 23.575 1.00 0.00 H new ATOM 798 N SER A 49 17.768 26.877 23.386 1.00 0.00 N ATOM 799 CA SER A 49 18.870 26.083 22.832 1.00 0.00 C ATOM 800 C SER A 49 20.199 26.283 23.566 1.00 0.00 C ATOM 801 O SER A 49 20.888 25.304 23.848 1.00 0.00 O ATOM 802 CB SER A 49 18.964 26.491 21.359 1.00 0.00 C ATOM 803 OG SER A 49 20.230 26.488 20.758 1.00 0.00 O ATOM 0 H SER A 49 17.270 27.384 22.654 1.00 0.00 H new ATOM 0 HA SER A 49 18.668 25.019 22.951 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.320 25.825 20.785 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.550 27.495 21.263 1.00 0.00 H new ATOM 0 HG SER A 49 20.318 27.272 20.177 1.00 0.00 H new ATOM 809 N VAL A 50 20.532 27.522 23.952 1.00 0.00 N ATOM 810 CA VAL A 50 21.724 27.804 24.768 1.00 0.00 C ATOM 811 C VAL A 50 21.555 27.300 26.193 1.00 0.00 C ATOM 812 O VAL A 50 22.358 26.491 26.659 1.00 0.00 O ATOM 813 CB VAL A 50 22.073 29.304 24.771 1.00 0.00 C ATOM 814 CG1 VAL A 50 23.126 29.654 25.824 1.00 0.00 C ATOM 815 CG2 VAL A 50 22.626 29.695 23.407 1.00 0.00 C ATOM 0 H VAL A 50 19.989 28.351 23.711 1.00 0.00 H new ATOM 0 HA VAL A 50 22.553 27.266 24.309 1.00 0.00 H new ATOM 0 HB VAL A 50 21.157 29.847 25.003 1.00 0.00 H new ATOM 0 HG11 VAL A 50 23.338 30.723 25.786 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.751 29.393 26.814 1.00 0.00 H new ATOM 0 HG13 VAL A 50 24.041 29.096 25.624 1.00 0.00 H new ATOM 0 HG21 VAL A 50 22.874 30.756 23.406 1.00 0.00 H new ATOM 0 HG22 VAL A 50 23.523 29.112 23.197 1.00 0.00 H new ATOM 0 HG23 VAL A 50 21.877 29.496 22.640 1.00 0.00 H new ATOM 825 N ARG A 51 20.532 27.778 26.911 1.00 0.00 N ATOM 826 CA ARG A 51 20.388 27.469 28.342 1.00 0.00 C ATOM 827 C ARG A 51 20.235 25.972 28.591 1.00 0.00 C ATOM 828 O ARG A 51 20.891 25.464 29.489 1.00 0.00 O ATOM 829 CB ARG A 51 19.323 28.347 29.024 1.00 0.00 C ATOM 830 CG ARG A 51 17.935 28.357 28.364 1.00 0.00 C ATOM 831 CD ARG A 51 16.978 27.280 28.877 1.00 0.00 C ATOM 832 NE ARG A 51 16.514 27.579 30.239 1.00 0.00 N ATOM 833 CZ ARG A 51 15.851 26.753 31.020 1.00 0.00 C ATOM 834 NH1 ARG A 51 15.586 25.524 30.691 1.00 0.00 N ATOM 835 NH2 ARG A 51 15.438 27.161 32.178 1.00 0.00 N ATOM 0 H ARG A 51 19.797 28.375 26.531 1.00 0.00 H new ATOM 0 HA ARG A 51 21.322 27.740 28.835 1.00 0.00 H new ATOM 0 HB2 ARG A 51 19.211 28.012 30.055 1.00 0.00 H new ATOM 0 HB3 ARG A 51 19.694 29.371 29.060 1.00 0.00 H new ATOM 0 HG2 ARG A 51 17.479 29.334 28.522 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.058 28.233 27.288 1.00 0.00 H new ATOM 0 HD2 ARG A 51 16.121 27.204 28.208 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.478 26.312 28.866 1.00 0.00 H new ATOM 0 HE ARG A 51 16.724 28.505 30.611 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.896 25.159 29.790 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.068 24.924 31.333 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.627 28.117 32.479 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.923 26.526 32.789 1.00 0.00 H new ATOM 849 N ASP A 52 19.491 25.240 27.764 1.00 0.00 N ATOM 850 CA ASP A 52 19.326 23.790 27.933 1.00 0.00 C ATOM 851 C ASP A 52 20.628 23.012 27.693 1.00 0.00 C ATOM 852 O ASP A 52 20.943 22.087 28.445 1.00 0.00 O ATOM 853 CB ASP A 52 18.240 23.280 26.983 1.00 0.00 C ATOM 854 CG ASP A 52 16.844 23.783 27.344 1.00 0.00 C ATOM 855 OD1 ASP A 52 16.544 23.987 28.545 1.00 0.00 O ATOM 856 OD2 ASP A 52 15.996 23.869 26.428 1.00 0.00 O ATOM 0 H ASP A 52 18.989 25.626 26.965 1.00 0.00 H new ATOM 0 HA ASP A 52 19.035 23.619 28.969 1.00 0.00 H new ATOM 0 HB2 ASP A 52 18.480 23.591 25.966 1.00 0.00 H new ATOM 0 HB3 ASP A 52 18.241 22.190 26.992 1.00 0.00 H new ATOM 861 N ALA A 53 21.415 23.422 26.692 1.00 0.00 N ATOM 862 CA ALA A 53 22.726 22.847 26.412 1.00 0.00 C ATOM 863 C ALA A 53 23.682 22.991 27.609 1.00 0.00 C ATOM 864 O ALA A 53 24.326 22.016 28.006 1.00 0.00 O ATOM 865 CB ALA A 53 23.265 23.505 25.135 1.00 0.00 C ATOM 0 H ALA A 53 21.153 24.170 26.050 1.00 0.00 H new ATOM 0 HA ALA A 53 22.639 21.772 26.251 1.00 0.00 H new ATOM 0 HB1 ALA A 53 24.247 23.094 24.900 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.582 23.309 24.308 1.00 0.00 H new ATOM 0 HB3 ALA A 53 23.349 24.581 25.288 1.00 0.00 H new ATOM 871 N ILE A 54 23.736 24.165 28.251 1.00 0.00 N ATOM 872 CA ILE A 54 24.593 24.335 29.430 1.00 0.00 C ATOM 873 C ILE A 54 23.999 23.642 30.659 1.00 0.00 C ATOM 874 O ILE A 54 24.672 22.828 31.287 1.00 0.00 O ATOM 875 CB ILE A 54 24.893 25.805 29.789 1.00 0.00 C ATOM 876 CG1 ILE A 54 25.131 26.779 28.618 1.00 0.00 C ATOM 877 CG2 ILE A 54 26.174 25.769 30.636 1.00 0.00 C ATOM 878 CD1 ILE A 54 24.769 28.227 28.984 1.00 0.00 C ATOM 0 H ILE A 54 23.208 24.995 27.981 1.00 0.00 H new ATOM 0 HA ILE A 54 25.537 23.868 29.148 1.00 0.00 H new ATOM 0 HB ILE A 54 24.002 26.192 30.284 1.00 0.00 H new ATOM 0 HG12 ILE A 54 26.177 26.733 28.317 1.00 0.00 H new ATOM 0 HG13 ILE A 54 24.538 26.464 27.759 1.00 0.00 H new ATOM 0 HG21 ILE A 54 26.446 26.783 30.927 1.00 0.00 H new ATOM 0 HG22 ILE A 54 26.003 25.169 31.530 1.00 0.00 H new ATOM 0 HG23 ILE A 54 26.983 25.329 30.053 1.00 0.00 H new ATOM 0 HD11 ILE A 54 24.953 28.876 28.128 1.00 0.00 H new ATOM 0 HD12 ILE A 54 23.716 28.280 29.259 1.00 0.00 H new ATOM 0 HD13 ILE A 54 25.381 28.554 29.825 1.00 0.00 H new ATOM 890 N GLU A 55 22.743 23.944 30.995 1.00 0.00 N ATOM 891 CA GLU A 55 22.097 23.538 32.251 1.00 0.00 C ATOM 892 C GLU A 55 21.985 22.016 32.403 1.00 0.00 C ATOM 893 O GLU A 55 21.918 21.528 33.536 1.00 0.00 O ATOM 894 CB GLU A 55 20.683 24.144 32.333 1.00 0.00 C ATOM 895 CG GLU A 55 20.645 25.675 32.506 1.00 0.00 C ATOM 896 CD GLU A 55 20.901 26.160 33.934 1.00 0.00 C ATOM 897 OE1 GLU A 55 20.423 25.516 34.900 1.00 0.00 O ATOM 898 OE2 GLU A 55 21.558 27.218 34.105 1.00 0.00 O ATOM 0 H GLU A 55 22.130 24.490 30.389 1.00 0.00 H new ATOM 0 HA GLU A 55 22.730 23.909 33.057 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.137 23.881 31.427 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.154 23.685 33.168 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.389 26.121 31.846 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.671 26.040 32.181 1.00 0.00 H new ATOM 905 N CYS A 56 21.956 21.281 31.285 1.00 0.00 N ATOM 906 CA CYS A 56 21.822 19.829 31.257 1.00 0.00 C ATOM 907 C CYS A 56 23.125 19.083 30.912 1.00 0.00 C ATOM 908 O CYS A 56 23.291 17.950 31.366 1.00 0.00 O ATOM 909 CB CYS A 56 20.695 19.491 30.276 1.00 0.00 C ATOM 910 SG CYS A 56 20.079 17.822 30.615 1.00 0.00 S ATOM 0 H CYS A 56 22.027 21.694 30.355 1.00 0.00 H new ATOM 0 HA CYS A 56 21.582 19.483 32.262 1.00 0.00 H new ATOM 0 HB2 CYS A 56 19.886 20.215 30.372 1.00 0.00 H new ATOM 0 HB3 CYS A 56 21.060 19.554 29.251 1.00 0.00 H new ATOM 0 HG CYS A 56 19.121 17.536 29.784 1.00 0.00 H new ATOM 916 N GLU A 57 24.066 19.660 30.148 1.00 0.00 N ATOM 917 CA GLU A 57 25.267 18.942 29.656 1.00 0.00 C ATOM 918 C GLU A 57 26.615 19.558 30.094 1.00 0.00 C ATOM 919 O GLU A 57 27.631 18.858 30.130 1.00 0.00 O ATOM 920 CB GLU A 57 25.147 18.772 28.125 1.00 0.00 C ATOM 921 CG GLU A 57 26.121 17.789 27.452 1.00 0.00 C ATOM 922 CD GLU A 57 25.817 16.311 27.728 1.00 0.00 C ATOM 923 OE1 GLU A 57 25.506 15.938 28.888 1.00 0.00 O ATOM 924 OE2 GLU A 57 25.938 15.487 26.787 1.00 0.00 O ATOM 0 H GLU A 57 24.022 20.635 29.851 1.00 0.00 H new ATOM 0 HA GLU A 57 25.286 17.962 30.133 1.00 0.00 H new ATOM 0 HB2 GLU A 57 24.131 18.450 27.899 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.281 19.751 27.664 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.102 17.957 26.375 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.133 18.009 27.791 1.00 0.00 H new ATOM 1095 N ILE A 68 30.032 27.537 36.705 1.00 0.00 N ATOM 1096 CA ILE A 68 29.785 28.836 36.066 1.00 0.00 C ATOM 1097 C ILE A 68 29.369 28.624 34.606 1.00 0.00 C ATOM 1098 O ILE A 68 29.683 27.605 33.988 1.00 0.00 O ATOM 1099 CB ILE A 68 31.016 29.764 36.233 1.00 0.00 C ATOM 1100 CG1 ILE A 68 31.239 30.154 37.713 1.00 0.00 C ATOM 1101 CG2 ILE A 68 30.968 31.049 35.381 1.00 0.00 C ATOM 1102 CD1 ILE A 68 30.099 30.935 38.384 1.00 0.00 C ATOM 0 HA ILE A 68 28.956 29.345 36.558 1.00 0.00 H new ATOM 0 HB ILE A 68 31.852 29.167 35.869 1.00 0.00 H new ATOM 0 HG12 ILE A 68 31.414 29.243 38.285 1.00 0.00 H new ATOM 0 HG13 ILE A 68 32.149 30.751 37.777 1.00 0.00 H new ATOM 0 HG21 ILE A 68 31.867 31.638 35.560 1.00 0.00 H new ATOM 0 HG22 ILE A 68 30.912 30.784 34.325 1.00 0.00 H new ATOM 0 HG23 ILE A 68 30.090 31.635 35.655 1.00 0.00 H new ATOM 0 HD11 ILE A 68 30.367 31.153 39.418 1.00 0.00 H new ATOM 0 HD12 ILE A 68 29.933 31.869 37.847 1.00 0.00 H new ATOM 0 HD13 ILE A 68 29.187 30.338 38.363 1.00 0.00 H new ATOM 1114 N LEU A 69 28.625 29.597 34.080 1.00 0.00 N ATOM 1115 CA LEU A 69 28.273 29.758 32.671 1.00 0.00 C ATOM 1116 C LEU A 69 27.824 31.195 32.379 1.00 0.00 C ATOM 1117 O LEU A 69 27.700 32.006 33.304 1.00 0.00 O ATOM 1118 CB LEU A 69 27.205 28.726 32.257 1.00 0.00 C ATOM 1119 CG LEU A 69 25.767 28.709 32.826 1.00 0.00 C ATOM 1120 CD1 LEU A 69 25.707 28.412 34.317 1.00 0.00 C ATOM 1121 CD2 LEU A 69 24.943 29.959 32.525 1.00 0.00 C ATOM 0 H LEU A 69 28.229 30.336 34.661 1.00 0.00 H new ATOM 0 HA LEU A 69 29.161 29.570 32.068 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.105 28.805 31.174 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.630 27.744 32.467 1.00 0.00 H new ATOM 0 HG LEU A 69 25.309 27.881 32.284 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.668 28.416 34.647 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.146 27.433 34.511 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.264 29.174 34.862 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.951 29.855 32.964 1.00 0.00 H new ATOM 0 HD22 LEU A 69 25.438 30.832 32.950 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.852 30.083 31.446 1.00 0.00 H new ATOM 1133 N GLU A 70 27.521 31.494 31.115 1.00 0.00 N ATOM 1134 CA GLU A 70 26.647 32.610 30.731 1.00 0.00 C ATOM 1135 C GLU A 70 25.781 32.267 29.507 1.00 0.00 C ATOM 1136 O GLU A 70 26.218 31.561 28.595 1.00 0.00 O ATOM 1137 CB GLU A 70 27.458 33.900 30.520 1.00 0.00 C ATOM 1138 CG GLU A 70 26.590 35.107 30.150 1.00 0.00 C ATOM 1139 CD GLU A 70 27.411 36.384 30.266 1.00 0.00 C ATOM 1140 OE1 GLU A 70 28.220 36.670 29.356 1.00 0.00 O ATOM 1141 OE2 GLU A 70 27.303 37.092 31.300 1.00 0.00 O ATOM 0 H GLU A 70 27.877 30.965 30.319 1.00 0.00 H new ATOM 0 HA GLU A 70 25.959 32.788 31.557 1.00 0.00 H new ATOM 0 HB2 GLU A 70 28.013 34.125 31.431 1.00 0.00 H new ATOM 0 HB3 GLU A 70 28.193 33.734 29.732 1.00 0.00 H new ATOM 0 HG2 GLU A 70 26.212 34.997 29.134 1.00 0.00 H new ATOM 0 HG3 GLU A 70 25.723 35.159 30.809 1.00 0.00 H new ATOM 1148 N VAL A 71 24.553 32.795 29.493 1.00 0.00 N ATOM 1149 CA VAL A 71 23.590 32.716 28.387 1.00 0.00 C ATOM 1150 C VAL A 71 23.165 34.127 27.970 1.00 0.00 C ATOM 1151 O VAL A 71 22.701 34.911 28.801 1.00 0.00 O ATOM 1152 CB VAL A 71 22.376 31.826 28.749 1.00 0.00 C ATOM 1153 CG1 VAL A 71 21.790 32.081 30.147 1.00 0.00 C ATOM 1154 CG2 VAL A 71 21.238 31.953 27.724 1.00 0.00 C ATOM 0 H VAL A 71 24.185 33.314 30.290 1.00 0.00 H new ATOM 0 HA VAL A 71 24.074 32.239 27.535 1.00 0.00 H new ATOM 0 HB VAL A 71 22.789 30.818 28.738 1.00 0.00 H new ATOM 0 HG11 VAL A 71 20.944 31.414 30.314 1.00 0.00 H new ATOM 0 HG12 VAL A 71 22.554 31.895 30.901 1.00 0.00 H new ATOM 0 HG13 VAL A 71 21.455 33.116 30.218 1.00 0.00 H new ATOM 0 HG21 VAL A 71 20.409 31.311 28.020 1.00 0.00 H new ATOM 0 HG22 VAL A 71 20.899 32.988 27.683 1.00 0.00 H new ATOM 0 HG23 VAL A 71 21.598 31.650 26.741 1.00 0.00 H new ATOM 1164 N SER A 72 23.284 34.430 26.678 1.00 0.00 N ATOM 1165 CA SER A 72 22.805 35.679 26.068 1.00 0.00 C ATOM 1166 C SER A 72 22.232 35.415 24.675 1.00 0.00 C ATOM 1167 O SER A 72 22.727 34.559 23.950 1.00 0.00 O ATOM 1168 CB SER A 72 23.945 36.697 25.933 1.00 0.00 C ATOM 1169 OG SER A 72 24.501 37.050 27.186 1.00 0.00 O ATOM 0 H SER A 72 23.726 33.802 26.007 1.00 0.00 H new ATOM 0 HA SER A 72 22.029 36.080 26.721 1.00 0.00 H new ATOM 0 HB2 SER A 72 24.726 36.282 25.295 1.00 0.00 H new ATOM 0 HB3 SER A 72 23.572 37.594 25.438 1.00 0.00 H new ATOM 0 HG SER A 72 25.224 37.698 27.052 1.00 0.00 H new