USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 818 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 NoAdj-H: A 12 HIS HD1 : A 12 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HD1 : B 12 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Single : A 1 PHE N :NH3+ 153:sc= 0.309 (180deg=0.0829) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -81:sc= 0.93 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 22 MET CE :methyl -158:sc= -0.148 (180deg=-1.29) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0382 K(o=-0.038,f=-2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 88:sc= -0.0759 USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= -0.0179 (180deg=-0.242) USER MOD Single : A 44 GLN : amide:sc= -0.684 K(o=-0.68,f=-2.2) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -2.83! C(o=-3.5!,f=-2.8!) USER MOD Single : A 53 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.23) USER MOD Single : B 1 PHE N :NH3+ 152:sc= 0.305 (180deg=0.0764) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc=-0.00817 K(o=-0.0082,f=-1.3!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -93:sc= 0.945 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 22 MET CE :methyl -159:sc= -0.222 (180deg=-1.28) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0463 K(o=-0.046,f=-2.1!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 115:sc= 0.017 USER MOD Single : B 42 LYS NZ :NH3+ -160:sc= -0.0126 (180deg=-0.173) USER MOD Single : B 44 GLN :FLIP amide:sc= -0.695 F(o=-2,f=-0.69) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS :FLIP no HD1:sc= -2.87! C(o=-3.4!,f=-2.9!) USER MOD Single : B 53 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.664 -3.367 24.544 1.00 0.00 N ATOM 2 CA PHE A 1 94.273 -4.080 25.794 1.00 0.00 C ATOM 3 C PHE A 1 93.850 -3.067 26.858 1.00 0.00 C ATOM 4 O PHE A 1 92.710 -2.656 26.927 1.00 0.00 O ATOM 5 CB PHE A 1 95.468 -4.886 26.320 1.00 0.00 C ATOM 6 CG PHE A 1 95.642 -6.135 25.495 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.458 -6.115 24.358 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.993 -7.318 25.871 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.626 -7.277 23.595 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.158 -8.480 25.108 1.00 0.00 C ATOM 11 CZ PHE A 1 95.973 -8.460 23.970 1.00 0.00 C ATOM 0 H1 PHE A 1 95.350 -3.943 24.016 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.820 -3.207 23.957 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.095 -2.452 24.787 1.00 0.00 H new ATOM 0 HA PHE A 1 93.441 -4.750 25.576 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.374 -4.281 26.277 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.309 -5.149 27.366 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.958 -5.203 24.069 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.365 -7.334 26.750 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.258 -7.262 22.719 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.657 -9.392 25.397 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.099 -9.356 23.381 1.00 0.00 H new ATOM 23 N LEU A 2 94.768 -2.670 27.694 1.00 0.00 N ATOM 24 CA LEU A 2 94.437 -1.697 28.770 1.00 0.00 C ATOM 25 C LEU A 2 93.938 -0.383 28.155 1.00 0.00 C ATOM 26 O LEU A 2 93.017 0.231 28.657 1.00 0.00 O ATOM 27 CB LEU A 2 95.694 -1.434 29.609 1.00 0.00 C ATOM 28 CG LEU A 2 96.178 -2.742 30.261 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.599 -2.552 30.800 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.255 -3.139 31.422 1.00 0.00 C ATOM 0 H LEU A 2 95.740 -2.980 27.677 1.00 0.00 H new ATOM 0 HA LEU A 2 93.651 -2.107 29.403 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.481 -1.020 28.979 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.478 -0.693 30.379 1.00 0.00 H new ATOM 0 HG LEU A 2 96.165 -3.529 29.507 1.00 0.00 H new ATOM 0 HD11 LEU A 2 97.940 -3.479 31.261 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.267 -2.287 29.980 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.603 -1.754 31.543 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.613 -4.066 31.871 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.254 -2.349 32.173 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.242 -3.285 31.048 1.00 0.00 H new ATOM 42 N ASP A 3 94.536 0.062 27.084 1.00 0.00 N ATOM 43 CA ASP A 3 94.081 1.342 26.461 1.00 0.00 C ATOM 44 C ASP A 3 92.642 1.192 25.971 1.00 0.00 C ATOM 45 O ASP A 3 91.827 2.078 26.129 1.00 0.00 O ATOM 46 CB ASP A 3 94.975 1.680 25.270 1.00 0.00 C ATOM 47 CG ASP A 3 96.364 2.080 25.768 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.168 1.192 26.000 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.599 3.269 25.918 1.00 0.00 O ATOM 0 H ASP A 3 95.315 -0.400 26.614 1.00 0.00 H new ATOM 0 HA ASP A 3 94.138 2.138 27.203 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.050 0.821 24.604 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.536 2.494 24.693 1.00 0.00 H new ATOM 54 N GLY A 4 92.320 0.072 25.385 1.00 0.00 N ATOM 55 CA GLY A 4 90.929 -0.138 24.894 1.00 0.00 C ATOM 56 C GLY A 4 89.977 -0.133 26.088 1.00 0.00 C ATOM 57 O GLY A 4 88.876 0.376 26.024 1.00 0.00 O ATOM 0 H GLY A 4 92.959 -0.706 25.225 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.655 0.648 24.190 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.857 -1.085 24.359 1.00 0.00 H new ATOM 61 N ILE A 5 90.406 -0.703 27.175 1.00 0.00 N ATOM 62 CA ILE A 5 89.559 -0.757 28.394 1.00 0.00 C ATOM 63 C ILE A 5 89.379 0.650 28.980 1.00 0.00 C ATOM 64 O ILE A 5 88.312 1.001 29.444 1.00 0.00 O ATOM 65 CB ILE A 5 90.233 -1.687 29.413 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.078 -3.134 28.937 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.589 -1.518 30.792 1.00 0.00 C ATOM 68 CD1 ILE A 5 90.932 -4.063 29.800 1.00 0.00 C ATOM 0 H ILE A 5 91.322 -1.141 27.272 1.00 0.00 H new ATOM 0 HA ILE A 5 88.570 -1.142 28.145 1.00 0.00 H new ATOM 0 HB ILE A 5 91.290 -1.435 29.494 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.031 -3.433 28.992 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.379 -3.216 27.893 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.076 -2.183 31.505 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.703 -0.486 31.123 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.529 -1.765 30.731 1.00 0.00 H new ATOM 0 HD11 ILE A 5 90.815 -5.090 29.454 1.00 0.00 H new ATOM 0 HD12 ILE A 5 91.979 -3.771 29.723 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.611 -3.991 30.839 1.00 0.00 H new ATOM 80 N ASP A 6 90.406 1.449 28.984 1.00 0.00 N ATOM 81 CA ASP A 6 90.270 2.814 29.568 1.00 0.00 C ATOM 82 C ASP A 6 89.200 3.604 28.819 1.00 0.00 C ATOM 83 O ASP A 6 88.358 4.245 29.418 1.00 0.00 O ATOM 84 CB ASP A 6 91.604 3.553 29.444 1.00 0.00 C ATOM 85 CG ASP A 6 92.623 2.954 30.415 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.498 3.208 31.603 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.511 2.256 29.955 1.00 0.00 O ATOM 0 H ASP A 6 91.328 1.221 28.612 1.00 0.00 H new ATOM 0 HA ASP A 6 89.985 2.722 30.616 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.976 3.481 28.422 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.464 4.613 29.658 1.00 0.00 H new ATOM 92 N LYS A 7 89.224 3.573 27.522 1.00 0.00 N ATOM 93 CA LYS A 7 88.206 4.335 26.750 1.00 0.00 C ATOM 94 C LYS A 7 86.822 3.725 26.975 1.00 0.00 C ATOM 95 O LYS A 7 85.848 4.420 27.185 1.00 0.00 O ATOM 96 CB LYS A 7 88.560 4.277 25.264 1.00 0.00 C ATOM 97 CG LYS A 7 87.588 5.153 24.474 1.00 0.00 C ATOM 98 CD LYS A 7 87.954 5.111 22.991 1.00 0.00 C ATOM 99 CE LYS A 7 87.046 6.063 22.208 1.00 0.00 C ATOM 100 NZ LYS A 7 87.435 6.042 20.771 1.00 0.00 N ATOM 0 H LYS A 7 89.901 3.056 26.961 1.00 0.00 H new ATOM 0 HA LYS A 7 88.194 5.372 27.084 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.583 4.620 25.109 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.511 3.248 24.907 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.566 4.802 24.617 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.627 6.179 24.840 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.998 5.395 22.856 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.848 4.096 22.609 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.004 5.764 22.319 1.00 0.00 H new ATOM 0 HE3 LYS A 7 87.131 7.074 22.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.820 6.688 20.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 88.425 6.347 20.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 87.332 5.077 20.398 1.00 0.00 H new ATOM 114 N ALA A 8 86.734 2.427 26.929 1.00 0.00 N ATOM 115 CA ALA A 8 85.421 1.751 27.133 1.00 0.00 C ATOM 116 C ALA A 8 84.970 1.891 28.590 1.00 0.00 C ATOM 117 O ALA A 8 83.794 2.000 28.873 1.00 0.00 O ATOM 118 CB ALA A 8 85.551 0.266 26.784 1.00 0.00 C ATOM 0 H ALA A 8 87.520 1.799 26.758 1.00 0.00 H new ATOM 0 HA ALA A 8 84.680 2.220 26.486 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.591 -0.228 26.933 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.855 0.162 25.742 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.300 -0.195 27.428 1.00 0.00 H new ATOM 124 N GLN A 9 85.889 1.866 29.517 1.00 0.00 N ATOM 125 CA GLN A 9 85.500 1.969 30.952 1.00 0.00 C ATOM 126 C GLN A 9 84.798 3.305 31.211 1.00 0.00 C ATOM 127 O GLN A 9 85.330 4.364 30.946 1.00 0.00 O ATOM 128 CB GLN A 9 86.756 1.869 31.817 1.00 0.00 C ATOM 129 CG GLN A 9 86.378 1.901 33.301 1.00 0.00 C ATOM 130 CD GLN A 9 87.649 1.765 34.142 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.649 1.264 33.670 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.658 2.199 35.374 1.00 0.00 N ATOM 0 H GLN A 9 86.890 1.779 29.343 1.00 0.00 H new ATOM 0 HA GLN A 9 84.815 1.159 31.202 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.291 0.947 31.590 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.431 2.694 31.588 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.867 2.834 33.539 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.686 1.091 33.531 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.819 2.620 35.772 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.504 2.117 35.938 1.00 0.00 H new ATOM 141 N GLU A 10 83.601 3.246 31.735 1.00 0.00 N ATOM 142 CA GLU A 10 82.822 4.486 32.030 1.00 0.00 C ATOM 143 C GLU A 10 81.939 4.227 33.259 1.00 0.00 C ATOM 144 O GLU A 10 82.130 3.270 33.980 1.00 0.00 O ATOM 145 CB GLU A 10 81.938 4.835 30.811 1.00 0.00 C ATOM 146 CG GLU A 10 82.681 5.790 29.868 1.00 0.00 C ATOM 147 CD GLU A 10 82.777 7.171 30.519 1.00 0.00 C ATOM 148 OE1 GLU A 10 81.763 7.648 31.003 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.863 7.728 30.529 1.00 0.00 O ATOM 0 H GLU A 10 83.123 2.377 31.975 1.00 0.00 H new ATOM 0 HA GLU A 10 83.496 5.319 32.230 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.667 3.924 30.277 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.009 5.295 31.147 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.678 5.406 29.655 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.156 5.860 28.915 1.00 0.00 H new ATOM 156 N GLU A 11 80.970 5.066 33.501 1.00 0.00 N ATOM 157 CA GLU A 11 80.080 4.851 34.675 1.00 0.00 C ATOM 158 C GLU A 11 79.187 3.631 34.408 1.00 0.00 C ATOM 159 O GLU A 11 78.938 3.265 33.278 1.00 0.00 O ATOM 160 CB GLU A 11 79.227 6.111 34.919 1.00 0.00 C ATOM 161 CG GLU A 11 78.990 6.846 33.593 1.00 0.00 C ATOM 162 CD GLU A 11 77.796 7.797 33.737 1.00 0.00 C ATOM 163 OE1 GLU A 11 76.674 7.329 33.628 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.024 8.974 33.965 1.00 0.00 O ATOM 0 H GLU A 11 80.757 5.889 32.938 1.00 0.00 H new ATOM 0 HA GLU A 11 80.677 4.665 35.568 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.273 5.834 35.367 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.731 6.771 35.626 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.882 7.406 33.312 1.00 0.00 H new ATOM 0 HG3 GLU A 11 78.801 6.127 32.796 1.00 0.00 H new ATOM 171 N HIS A 12 78.726 2.988 35.444 1.00 0.00 N ATOM 172 CA HIS A 12 77.879 1.777 35.260 1.00 0.00 C ATOM 173 C HIS A 12 76.577 2.143 34.544 1.00 0.00 C ATOM 174 O HIS A 12 75.548 2.337 35.159 1.00 0.00 O ATOM 175 CB HIS A 12 77.565 1.186 36.635 1.00 0.00 C ATOM 176 CG HIS A 12 76.731 -0.058 36.498 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.293 -1.304 36.260 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.379 -0.272 36.623 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.293 -2.209 36.260 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.109 -1.629 36.476 1.00 0.00 N ATOM 0 H HIS A 12 78.900 3.250 36.414 1.00 0.00 H new ATOM 0 HA HIS A 12 78.413 1.047 34.652 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.493 0.953 37.157 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.035 1.921 37.240 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.641 0.494 36.807 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.432 -3.269 36.105 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.198 -2.085 36.523 1.00 0.00 H new ATOM 188 N GLU A 13 76.623 2.229 33.238 1.00 0.00 N ATOM 189 CA GLU A 13 75.403 2.571 32.449 1.00 0.00 C ATOM 190 C GLU A 13 74.682 1.282 32.050 1.00 0.00 C ATOM 191 O GLU A 13 75.034 0.202 32.482 1.00 0.00 O ATOM 192 CB GLU A 13 75.815 3.335 31.190 1.00 0.00 C ATOM 193 CG GLU A 13 76.354 4.708 31.591 1.00 0.00 C ATOM 194 CD GLU A 13 76.873 5.443 30.353 1.00 0.00 C ATOM 195 OE1 GLU A 13 77.512 4.805 29.531 1.00 0.00 O ATOM 196 OE2 GLU A 13 76.625 6.635 30.248 1.00 0.00 O ATOM 0 H GLU A 13 77.463 2.075 32.681 1.00 0.00 H new ATOM 0 HA GLU A 13 74.737 3.190 33.050 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.576 2.777 30.644 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.961 3.447 30.522 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.568 5.292 32.069 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.156 4.595 32.321 1.00 0.00 H new ATOM 203 N LYS A 14 73.677 1.391 31.227 1.00 0.00 N ATOM 204 CA LYS A 14 72.926 0.177 30.795 1.00 0.00 C ATOM 205 C LYS A 14 73.827 -0.678 29.898 1.00 0.00 C ATOM 206 O LYS A 14 73.668 -1.879 29.808 1.00 0.00 O ATOM 207 CB LYS A 14 71.683 0.602 30.008 1.00 0.00 C ATOM 208 CG LYS A 14 70.854 1.596 30.829 1.00 0.00 C ATOM 209 CD LYS A 14 70.305 0.924 32.094 1.00 0.00 C ATOM 210 CE LYS A 14 69.192 1.794 32.684 1.00 0.00 C ATOM 211 NZ LYS A 14 68.672 1.159 33.929 1.00 0.00 N ATOM 0 H LYS A 14 73.342 2.270 30.833 1.00 0.00 H new ATOM 0 HA LYS A 14 72.624 -0.399 31.670 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.979 1.057 29.063 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.080 -0.273 29.765 1.00 0.00 H new ATOM 0 HG2 LYS A 14 71.470 2.452 31.103 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.030 1.976 30.226 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.920 -0.068 31.856 1.00 0.00 H new ATOM 0 HD3 LYS A 14 71.103 0.789 32.824 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.573 2.791 32.904 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.386 1.913 31.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 67.916 1.750 34.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 68.294 0.216 33.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 69.444 1.068 34.620 1.00 0.00 H new ATOM 225 N TYR A 15 74.773 -0.065 29.234 1.00 0.00 N ATOM 226 CA TYR A 15 75.687 -0.836 28.338 1.00 0.00 C ATOM 227 C TYR A 15 76.431 -1.893 29.155 1.00 0.00 C ATOM 228 O TYR A 15 76.732 -2.965 28.670 1.00 0.00 O ATOM 229 CB TYR A 15 76.705 0.116 27.703 1.00 0.00 C ATOM 230 CG TYR A 15 76.043 0.894 26.595 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.261 2.015 26.899 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.205 0.490 25.266 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.641 2.733 25.869 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.586 1.206 24.238 1.00 0.00 C ATOM 235 CZ TYR A 15 74.803 2.330 24.538 1.00 0.00 C ATOM 236 OH TYR A 15 74.193 3.040 23.525 1.00 0.00 O ATOM 0 H TYR A 15 74.952 0.938 29.274 1.00 0.00 H new ATOM 0 HA TYR A 15 75.101 -1.321 27.557 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.099 0.799 28.456 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.551 -0.448 27.310 1.00 0.00 H new ATOM 0 HD1 TYR A 15 75.136 2.325 27.926 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.808 -0.375 25.034 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.038 3.598 26.101 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.711 0.894 23.212 1.00 0.00 H new ATOM 0 HH TYR A 15 74.408 2.629 22.662 1.00 0.00 H new ATOM 246 N HIS A 16 76.735 -1.604 30.389 1.00 0.00 N ATOM 247 CA HIS A 16 77.463 -2.603 31.218 1.00 0.00 C ATOM 248 C HIS A 16 76.620 -3.879 31.317 1.00 0.00 C ATOM 249 O HIS A 16 77.137 -4.974 31.238 1.00 0.00 O ATOM 250 CB HIS A 16 77.704 -2.038 32.625 1.00 0.00 C ATOM 251 CG HIS A 16 78.893 -1.107 32.629 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.601 -0.821 33.792 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.510 -0.393 31.631 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.592 0.031 33.467 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.579 0.322 32.164 1.00 0.00 N ATOM 0 H HIS A 16 76.513 -0.725 30.857 1.00 0.00 H new ATOM 0 HA HIS A 16 78.424 -2.828 30.756 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.817 -1.504 32.965 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.873 -2.855 33.327 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.212 -0.387 30.593 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.307 0.429 34.172 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.219 0.939 31.664 1.00 0.00 H new ATOM 263 N SER A 17 75.330 -3.756 31.473 1.00 0.00 N ATOM 264 CA SER A 17 74.490 -4.983 31.555 1.00 0.00 C ATOM 265 C SER A 17 74.654 -5.782 30.257 1.00 0.00 C ATOM 266 O SER A 17 74.814 -6.985 30.273 1.00 0.00 O ATOM 267 CB SER A 17 73.021 -4.592 31.732 1.00 0.00 C ATOM 268 OG SER A 17 72.543 -3.997 30.533 1.00 0.00 O ATOM 0 H SER A 17 74.827 -2.872 31.546 1.00 0.00 H new ATOM 0 HA SER A 17 74.803 -5.588 32.406 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.426 -5.472 31.977 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.916 -3.895 32.564 1.00 0.00 H new ATOM 0 HG SER A 17 72.818 -3.057 30.502 1.00 0.00 H new ATOM 274 N ASN A 18 74.627 -5.114 29.132 1.00 0.00 N ATOM 275 CA ASN A 18 74.792 -5.820 27.825 1.00 0.00 C ATOM 276 C ASN A 18 76.268 -5.774 27.414 1.00 0.00 C ATOM 277 O ASN A 18 76.708 -4.839 26.778 1.00 0.00 O ATOM 278 CB ASN A 18 73.940 -5.114 26.763 1.00 0.00 C ATOM 279 CG ASN A 18 72.465 -5.144 27.176 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.940 -6.186 27.522 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.765 -4.040 27.142 1.00 0.00 N ATOM 0 H ASN A 18 74.497 -4.105 29.062 1.00 0.00 H new ATOM 0 HA ASN A 18 74.472 -6.858 27.918 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.273 -4.083 26.643 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.067 -5.604 25.798 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.780 -4.053 27.405 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.204 -3.166 26.852 1.00 0.00 H new ATOM 288 N TRP A 19 77.035 -6.775 27.767 1.00 0.00 N ATOM 289 CA TRP A 19 78.480 -6.780 27.389 1.00 0.00 C ATOM 290 C TRP A 19 78.626 -6.996 25.882 1.00 0.00 C ATOM 291 O TRP A 19 79.597 -6.587 25.277 1.00 0.00 O ATOM 292 CB TRP A 19 79.233 -7.876 28.150 1.00 0.00 C ATOM 293 CG TRP A 19 78.771 -9.238 27.723 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.879 -9.996 28.399 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.170 -10.022 26.555 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.704 -11.191 27.724 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.479 -11.256 26.584 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.056 -9.786 25.485 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.658 -12.221 25.595 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.238 -10.757 24.485 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.541 -11.973 24.541 1.00 0.00 C ATOM 0 H TRP A 19 76.723 -7.587 28.300 1.00 0.00 H new ATOM 0 HA TRP A 19 78.910 -5.815 27.656 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.304 -7.778 27.971 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.076 -7.754 29.222 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.384 -9.715 29.317 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.077 -11.935 28.032 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.598 -8.854 25.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.118 -13.155 25.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.919 -10.566 23.669 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.687 -12.716 23.771 1.00 0.00 H new ATOM 312 N ARG A 20 77.679 -7.655 25.274 1.00 0.00 N ATOM 313 CA ARG A 20 77.771 -7.918 23.810 1.00 0.00 C ATOM 314 C ARG A 20 77.811 -6.600 23.040 1.00 0.00 C ATOM 315 O ARG A 20 78.544 -6.456 22.084 1.00 0.00 O ATOM 316 CB ARG A 20 76.553 -8.733 23.369 1.00 0.00 C ATOM 317 CG ARG A 20 76.663 -10.148 23.937 1.00 0.00 C ATOM 318 CD ARG A 20 75.447 -10.969 23.505 1.00 0.00 C ATOM 319 NE ARG A 20 75.505 -12.315 24.146 1.00 0.00 N ATOM 320 CZ ARG A 20 74.450 -13.083 24.148 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.350 -12.678 23.572 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.498 -14.258 24.721 1.00 0.00 N ATOM 0 H ARG A 20 76.844 -8.024 25.729 1.00 0.00 H new ATOM 0 HA ARG A 20 78.684 -8.475 23.601 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.636 -8.258 23.719 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.498 -8.768 22.281 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.579 -10.622 23.584 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.722 -10.111 25.025 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.528 -10.457 23.791 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.430 -11.071 22.420 1.00 0.00 H new ATOM 0 HE ARG A 20 76.369 -12.635 24.583 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.317 -11.763 23.122 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.524 -13.276 23.572 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.360 -14.574 25.166 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.674 -14.859 24.723 1.00 0.00 H new ATOM 336 N ALA A 21 77.037 -5.636 23.445 1.00 0.00 N ATOM 337 CA ALA A 21 77.048 -4.331 22.725 1.00 0.00 C ATOM 338 C ALA A 21 78.448 -3.714 22.791 1.00 0.00 C ATOM 339 O ALA A 21 78.939 -3.153 21.832 1.00 0.00 O ATOM 340 CB ALA A 21 76.044 -3.385 23.386 1.00 0.00 C ATOM 0 H ALA A 21 76.399 -5.692 24.239 1.00 0.00 H new ATOM 0 HA ALA A 21 76.775 -4.490 21.682 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.047 -2.428 22.864 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.046 -3.821 23.337 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.322 -3.230 24.429 1.00 0.00 H new ATOM 346 N MET A 22 79.095 -3.821 23.919 1.00 0.00 N ATOM 347 CA MET A 22 80.460 -3.241 24.058 1.00 0.00 C ATOM 348 C MET A 22 81.415 -3.944 23.095 1.00 0.00 C ATOM 349 O MET A 22 82.242 -3.322 22.457 1.00 0.00 O ATOM 350 CB MET A 22 80.953 -3.464 25.490 1.00 0.00 C ATOM 351 CG MET A 22 82.220 -2.642 25.732 1.00 0.00 C ATOM 352 SD MET A 22 83.028 -3.206 27.252 1.00 0.00 S ATOM 353 CE MET A 22 81.610 -3.029 28.364 1.00 0.00 C ATOM 0 H MET A 22 78.736 -4.286 24.752 1.00 0.00 H new ATOM 0 HA MET A 22 80.427 -2.175 23.831 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.179 -3.175 26.201 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.157 -4.522 25.654 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.900 -2.746 24.886 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.970 -1.584 25.812 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.962 -2.944 29.392 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.048 -2.134 28.097 1.00 0.00 H new ATOM 0 HE3 MET A 22 80.965 -3.903 28.273 1.00 0.00 H new ATOM 363 N ALA A 23 81.311 -5.236 22.991 1.00 0.00 N ATOM 364 CA ALA A 23 82.216 -5.989 22.079 1.00 0.00 C ATOM 365 C ALA A 23 81.960 -5.569 20.630 1.00 0.00 C ATOM 366 O ALA A 23 82.876 -5.362 19.860 1.00 0.00 O ATOM 367 CB ALA A 23 81.943 -7.487 22.233 1.00 0.00 C ATOM 0 H ALA A 23 80.636 -5.807 23.500 1.00 0.00 H new ATOM 0 HA ALA A 23 83.254 -5.773 22.334 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.601 -8.047 21.569 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.128 -7.786 23.265 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.905 -7.696 21.976 1.00 0.00 H new ATOM 373 N SER A 24 80.720 -5.448 20.253 1.00 0.00 N ATOM 374 CA SER A 24 80.399 -5.052 18.855 1.00 0.00 C ATOM 375 C SER A 24 80.815 -3.600 18.611 1.00 0.00 C ATOM 376 O SER A 24 81.321 -3.257 17.561 1.00 0.00 O ATOM 377 CB SER A 24 78.894 -5.193 18.625 1.00 0.00 C ATOM 378 OG SER A 24 78.583 -4.807 17.292 1.00 0.00 O ATOM 0 H SER A 24 79.912 -5.607 20.855 1.00 0.00 H new ATOM 0 HA SER A 24 80.943 -5.698 18.166 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.583 -6.223 18.799 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.347 -4.571 19.333 1.00 0.00 H new ATOM 0 HG SER A 24 77.619 -4.898 17.142 1.00 0.00 H new ATOM 384 N ASP A 25 80.596 -2.742 19.565 1.00 0.00 N ATOM 385 CA ASP A 25 80.969 -1.315 19.374 1.00 0.00 C ATOM 386 C ASP A 25 82.480 -1.185 19.182 1.00 0.00 C ATOM 387 O ASP A 25 82.945 -0.409 18.371 1.00 0.00 O ATOM 388 CB ASP A 25 80.534 -0.510 20.600 1.00 0.00 C ATOM 389 CG ASP A 25 79.012 -0.344 20.587 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.476 -0.047 19.533 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.409 -0.515 21.634 1.00 0.00 O ATOM 0 H ASP A 25 80.176 -2.966 20.467 1.00 0.00 H new ATOM 0 HA ASP A 25 80.468 -0.930 18.486 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.847 -1.018 21.512 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.017 0.467 20.597 1.00 0.00 H new ATOM 396 N PHE A 26 83.249 -1.941 19.923 1.00 0.00 N ATOM 397 CA PHE A 26 84.740 -1.870 19.794 1.00 0.00 C ATOM 398 C PHE A 26 85.249 -3.057 18.973 1.00 0.00 C ATOM 399 O PHE A 26 86.432 -3.195 18.737 1.00 0.00 O ATOM 400 CB PHE A 26 85.366 -1.901 21.188 1.00 0.00 C ATOM 401 CG PHE A 26 85.086 -0.589 21.876 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.844 0.539 21.552 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.060 -0.496 22.825 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.580 1.762 22.177 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.794 0.728 23.447 1.00 0.00 C ATOM 406 CZ PHE A 26 84.555 1.857 23.124 1.00 0.00 C ATOM 0 H PHE A 26 82.909 -2.608 20.616 1.00 0.00 H new ATOM 0 HA PHE A 26 85.017 -0.945 19.288 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.954 -2.727 21.768 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.441 -2.067 21.115 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.634 0.467 20.819 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.475 -1.368 23.076 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.168 2.633 21.928 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.001 0.802 24.177 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.351 2.802 23.606 1.00 0.00 H new ATOM 416 N ASN A 27 84.365 -3.907 18.530 1.00 0.00 N ATOM 417 CA ASN A 27 84.796 -5.079 17.718 1.00 0.00 C ATOM 418 C ASN A 27 85.861 -5.881 18.473 1.00 0.00 C ATOM 419 O ASN A 27 86.878 -6.250 17.919 1.00 0.00 O ATOM 420 CB ASN A 27 85.357 -4.599 16.373 1.00 0.00 C ATOM 421 CG ASN A 27 84.212 -4.068 15.514 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.078 -4.463 15.685 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.462 -3.180 14.592 1.00 0.00 N ATOM 0 H ASN A 27 83.361 -3.840 18.696 1.00 0.00 H new ATOM 0 HA ASN A 27 83.935 -5.722 17.538 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.100 -3.818 16.533 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.861 -5.419 15.862 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.704 -2.817 14.014 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.416 -2.848 14.449 1.00 0.00 H new ATOM 430 N LEU A 28 85.620 -6.160 19.731 1.00 0.00 N ATOM 431 CA LEU A 28 86.592 -6.955 20.552 1.00 0.00 C ATOM 432 C LEU A 28 85.887 -8.232 21.027 1.00 0.00 C ATOM 433 O LEU A 28 84.687 -8.232 21.221 1.00 0.00 O ATOM 434 CB LEU A 28 87.006 -6.142 21.786 1.00 0.00 C ATOM 435 CG LEU A 28 87.770 -4.887 21.354 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.840 -3.912 22.531 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.196 -5.249 20.886 1.00 0.00 C ATOM 0 H LEU A 28 84.781 -5.868 20.232 1.00 0.00 H new ATOM 0 HA LEU A 28 87.473 -7.194 19.956 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.123 -5.861 22.359 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.630 -6.751 22.440 1.00 0.00 H new ATOM 0 HG LEU A 28 87.245 -4.422 20.519 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.383 -3.016 22.230 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.830 -3.638 22.837 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.357 -4.386 23.366 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.721 -4.343 20.584 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.737 -5.726 21.703 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.138 -5.934 20.040 1.00 0.00 H new ATOM 449 N PRO A 29 86.606 -9.312 21.226 1.00 0.00 N ATOM 450 CA PRO A 29 85.994 -10.586 21.699 1.00 0.00 C ATOM 451 C PRO A 29 85.505 -10.461 23.147 1.00 0.00 C ATOM 452 O PRO A 29 85.916 -9.573 23.867 1.00 0.00 O ATOM 453 CB PRO A 29 87.134 -11.611 21.584 1.00 0.00 C ATOM 454 CG PRO A 29 88.387 -10.803 21.663 1.00 0.00 C ATOM 455 CD PRO A 29 88.059 -9.448 21.026 1.00 0.00 C ATOM 0 HA PRO A 29 85.117 -10.870 21.118 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.087 -12.346 22.387 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.077 -12.161 20.645 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.707 -10.680 22.698 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.203 -11.296 21.133 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.607 -8.637 21.505 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.321 -9.429 19.968 1.00 0.00 H new ATOM 463 N PRO A 30 84.625 -11.331 23.566 1.00 0.00 N ATOM 464 CA PRO A 30 84.063 -11.300 24.947 1.00 0.00 C ATOM 465 C PRO A 30 85.167 -11.251 26.010 1.00 0.00 C ATOM 466 O PRO A 30 84.937 -10.885 27.143 1.00 0.00 O ATOM 467 CB PRO A 30 83.244 -12.612 25.051 1.00 0.00 C ATOM 468 CG PRO A 30 83.641 -13.436 23.858 1.00 0.00 C ATOM 469 CD PRO A 30 84.075 -12.446 22.782 1.00 0.00 C ATOM 0 HA PRO A 30 83.458 -10.411 25.123 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.463 -13.138 25.980 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.174 -12.407 25.046 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.453 -14.119 24.109 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.807 -14.046 23.512 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.821 -12.877 22.114 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.236 -12.129 22.162 1.00 0.00 H new ATOM 477 N VAL A 31 86.358 -11.631 25.659 1.00 0.00 N ATOM 478 CA VAL A 31 87.454 -11.630 26.666 1.00 0.00 C ATOM 479 C VAL A 31 87.669 -10.223 27.216 1.00 0.00 C ATOM 480 O VAL A 31 87.709 -10.016 28.413 1.00 0.00 O ATOM 481 CB VAL A 31 88.750 -12.107 25.994 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.930 -11.946 26.959 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.613 -13.575 25.583 1.00 0.00 C ATOM 0 H VAL A 31 86.622 -11.941 24.724 1.00 0.00 H new ATOM 0 HA VAL A 31 87.184 -12.295 27.486 1.00 0.00 H new ATOM 0 HB VAL A 31 88.932 -11.502 25.106 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.845 -12.287 26.475 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.034 -10.897 27.235 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.751 -12.540 27.855 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.536 -13.907 25.107 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.421 -14.184 26.467 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.785 -13.681 24.882 1.00 0.00 H new ATOM 493 N VAL A 32 87.809 -9.253 26.366 1.00 0.00 N ATOM 494 CA VAL A 32 88.026 -7.874 26.869 1.00 0.00 C ATOM 495 C VAL A 32 86.748 -7.372 27.542 1.00 0.00 C ATOM 496 O VAL A 32 86.774 -6.825 28.627 1.00 0.00 O ATOM 497 CB VAL A 32 88.400 -6.953 25.701 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.412 -5.491 26.173 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.786 -7.335 25.173 1.00 0.00 C ATOM 0 H VAL A 32 87.783 -9.352 25.351 1.00 0.00 H new ATOM 0 HA VAL A 32 88.838 -7.873 27.596 1.00 0.00 H new ATOM 0 HB VAL A 32 87.664 -7.065 24.905 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.678 -4.842 25.339 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.423 -5.220 26.543 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.143 -5.373 26.973 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.052 -6.681 24.343 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.521 -7.227 25.970 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.772 -8.369 24.830 1.00 0.00 H new ATOM 509 N ALA A 33 85.627 -7.554 26.904 1.00 0.00 N ATOM 510 CA ALA A 33 84.347 -7.088 27.503 1.00 0.00 C ATOM 511 C ALA A 33 84.067 -7.847 28.806 1.00 0.00 C ATOM 512 O ALA A 33 83.621 -7.273 29.779 1.00 0.00 O ATOM 513 CB ALA A 33 83.204 -7.326 26.516 1.00 0.00 C ATOM 0 H ALA A 33 85.542 -8.005 25.993 1.00 0.00 H new ATOM 0 HA ALA A 33 84.424 -6.023 27.722 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.267 -6.984 26.955 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.396 -6.773 25.596 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.133 -8.390 26.291 1.00 0.00 H new ATOM 519 N LYS A 34 84.317 -9.130 28.844 1.00 0.00 N ATOM 520 CA LYS A 34 84.056 -9.892 30.101 1.00 0.00 C ATOM 521 C LYS A 34 84.968 -9.371 31.216 1.00 0.00 C ATOM 522 O LYS A 34 84.565 -9.254 32.355 1.00 0.00 O ATOM 523 CB LYS A 34 84.290 -11.388 29.855 1.00 0.00 C ATOM 524 CG LYS A 34 83.186 -11.957 28.937 1.00 0.00 C ATOM 525 CD LYS A 34 81.934 -12.315 29.752 1.00 0.00 C ATOM 526 CE LYS A 34 80.916 -13.022 28.846 1.00 0.00 C ATOM 527 NZ LYS A 34 79.839 -13.624 29.685 1.00 0.00 N ATOM 0 H LYS A 34 84.687 -9.678 28.068 1.00 0.00 H new ATOM 0 HA LYS A 34 83.020 -9.752 30.409 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.268 -11.540 29.398 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.295 -11.924 30.804 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.930 -11.225 28.171 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.556 -12.843 28.421 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.204 -12.961 30.587 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.494 -11.413 30.177 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.487 -12.312 28.139 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.411 -13.796 28.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.149 -14.103 29.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.256 -14.314 30.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.361 -12.875 30.226 1.00 0.00 H new ATOM 541 N GLU A 35 86.201 -9.069 30.904 1.00 0.00 N ATOM 542 CA GLU A 35 87.129 -8.566 31.957 1.00 0.00 C ATOM 543 C GLU A 35 86.581 -7.265 32.555 1.00 0.00 C ATOM 544 O GLU A 35 86.620 -7.062 33.751 1.00 0.00 O ATOM 545 CB GLU A 35 88.508 -8.310 31.338 1.00 0.00 C ATOM 546 CG GLU A 35 89.538 -8.026 32.443 1.00 0.00 C ATOM 547 CD GLU A 35 89.376 -6.589 32.951 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.922 -5.754 32.187 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.711 -6.346 34.100 1.00 0.00 O ATOM 0 H GLU A 35 86.603 -9.149 29.970 1.00 0.00 H new ATOM 0 HA GLU A 35 87.217 -9.311 32.748 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.819 -9.176 30.754 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.456 -7.464 30.652 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.405 -8.729 33.265 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.547 -8.173 32.058 1.00 0.00 H new ATOM 556 N ILE A 36 86.059 -6.384 31.741 1.00 0.00 N ATOM 557 CA ILE A 36 85.503 -5.108 32.288 1.00 0.00 C ATOM 558 C ILE A 36 84.358 -5.444 33.243 1.00 0.00 C ATOM 559 O ILE A 36 84.216 -4.854 34.296 1.00 0.00 O ATOM 560 CB ILE A 36 84.985 -4.233 31.141 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.171 -3.719 30.326 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.199 -3.044 31.702 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.668 -3.141 29.001 1.00 0.00 C ATOM 0 H ILE A 36 85.993 -6.490 30.729 1.00 0.00 H new ATOM 0 HA ILE A 36 86.281 -4.561 32.820 1.00 0.00 H new ATOM 0 HB ILE A 36 84.327 -4.826 30.505 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.708 -2.955 30.888 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.875 -4.530 30.137 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.835 -2.428 30.880 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.353 -3.409 32.284 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.849 -2.447 32.342 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.514 -2.774 28.420 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.150 -3.918 28.438 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.981 -2.319 29.200 1.00 0.00 H new ATOM 575 N VAL A 37 83.555 -6.406 32.886 1.00 0.00 N ATOM 576 CA VAL A 37 82.432 -6.807 33.772 1.00 0.00 C ATOM 577 C VAL A 37 83.014 -7.291 35.098 1.00 0.00 C ATOM 578 O VAL A 37 82.499 -7.006 36.162 1.00 0.00 O ATOM 579 CB VAL A 37 81.638 -7.935 33.098 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.636 -8.540 34.090 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.887 -7.362 31.889 1.00 0.00 C ATOM 0 H VAL A 37 83.630 -6.933 32.016 1.00 0.00 H new ATOM 0 HA VAL A 37 81.764 -5.965 33.952 1.00 0.00 H new ATOM 0 HB VAL A 37 82.323 -8.717 32.772 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.078 -9.339 33.602 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.173 -8.944 34.948 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.944 -7.767 34.426 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.320 -8.156 31.403 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.205 -6.580 32.222 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.602 -6.942 31.182 1.00 0.00 H new ATOM 591 N ALA A 38 84.095 -8.008 35.034 1.00 0.00 N ATOM 592 CA ALA A 38 84.740 -8.516 36.273 1.00 0.00 C ATOM 593 C ALA A 38 85.310 -7.350 37.084 1.00 0.00 C ATOM 594 O ALA A 38 85.308 -7.368 38.298 1.00 0.00 O ATOM 595 CB ALA A 38 85.879 -9.461 35.894 1.00 0.00 C ATOM 0 H ALA A 38 84.566 -8.267 34.167 1.00 0.00 H new ATOM 0 HA ALA A 38 83.997 -9.043 36.872 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.356 -9.837 36.799 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.482 -10.297 35.319 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.613 -8.924 35.293 1.00 0.00 H new ATOM 601 N SER A 39 85.825 -6.348 36.425 1.00 0.00 N ATOM 602 CA SER A 39 86.422 -5.201 37.168 1.00 0.00 C ATOM 603 C SER A 39 85.326 -4.361 37.826 1.00 0.00 C ATOM 604 O SER A 39 85.472 -3.911 38.946 1.00 0.00 O ATOM 605 CB SER A 39 87.213 -4.327 36.192 1.00 0.00 C ATOM 606 OG SER A 39 88.342 -5.052 35.727 1.00 0.00 O ATOM 0 H SER A 39 85.858 -6.274 35.408 1.00 0.00 H new ATOM 0 HA SER A 39 87.082 -5.587 37.945 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.582 -4.035 35.352 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.533 -3.409 36.684 1.00 0.00 H new ATOM 0 HG SER A 39 88.091 -5.577 34.938 1.00 0.00 H new ATOM 612 N CYS A 40 84.229 -4.151 37.160 1.00 0.00 N ATOM 613 CA CYS A 40 83.144 -3.339 37.782 1.00 0.00 C ATOM 614 C CYS A 40 82.447 -4.198 38.838 1.00 0.00 C ATOM 615 O CYS A 40 81.828 -5.198 38.529 1.00 0.00 O ATOM 616 CB CYS A 40 82.147 -2.896 36.711 1.00 0.00 C ATOM 617 SG CYS A 40 81.074 -1.604 37.382 1.00 0.00 S ATOM 0 H CYS A 40 84.035 -4.501 36.222 1.00 0.00 H new ATOM 0 HA CYS A 40 83.560 -2.446 38.249 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.679 -2.523 35.836 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.549 -3.746 36.382 1.00 0.00 H new ATOM 622 N ASP A 41 82.561 -3.831 40.084 1.00 0.00 N ATOM 623 CA ASP A 41 81.929 -4.643 41.162 1.00 0.00 C ATOM 624 C ASP A 41 80.414 -4.715 40.951 1.00 0.00 C ATOM 625 O ASP A 41 79.803 -5.745 41.147 1.00 0.00 O ATOM 626 CB ASP A 41 82.227 -4.000 42.518 1.00 0.00 C ATOM 627 CG ASP A 41 83.717 -4.157 42.836 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.378 -4.897 42.125 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.169 -3.534 43.781 1.00 0.00 O ATOM 0 H ASP A 41 83.065 -3.003 40.403 1.00 0.00 H new ATOM 0 HA ASP A 41 82.337 -5.653 41.134 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.956 -2.944 42.500 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.626 -4.470 43.296 1.00 0.00 H new ATOM 634 N LYS A 42 79.803 -3.636 40.557 1.00 0.00 N ATOM 635 CA LYS A 42 78.328 -3.663 40.341 1.00 0.00 C ATOM 636 C LYS A 42 77.994 -4.702 39.267 1.00 0.00 C ATOM 637 O LYS A 42 77.022 -5.426 39.370 1.00 0.00 O ATOM 638 CB LYS A 42 77.855 -2.281 39.889 1.00 0.00 C ATOM 639 CG LYS A 42 77.966 -1.298 41.064 1.00 0.00 C ATOM 640 CD LYS A 42 77.580 0.127 40.617 1.00 0.00 C ATOM 641 CE LYS A 42 78.797 0.835 40.008 1.00 0.00 C ATOM 642 NZ LYS A 42 79.735 1.234 41.097 1.00 0.00 N ATOM 0 H LYS A 42 80.256 -2.740 40.375 1.00 0.00 H new ATOM 0 HA LYS A 42 77.824 -3.928 41.270 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.459 -1.933 39.051 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.824 -2.333 39.539 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.315 -1.619 41.877 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.985 -1.300 41.452 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.773 0.081 39.886 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.207 0.696 41.469 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.301 0.174 39.303 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.478 1.714 39.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.355 1.997 40.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.191 1.568 41.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 80.313 0.415 41.374 1.00 0.00 H new ATOM 656 N CYS A 43 78.790 -4.783 38.233 1.00 0.00 N ATOM 657 CA CYS A 43 78.510 -5.778 37.157 1.00 0.00 C ATOM 658 C CYS A 43 78.992 -7.167 37.589 1.00 0.00 C ATOM 659 O CYS A 43 78.385 -8.169 37.272 1.00 0.00 O ATOM 660 CB CYS A 43 79.242 -5.383 35.872 1.00 0.00 C ATOM 661 SG CYS A 43 79.016 -3.619 35.563 1.00 0.00 S ATOM 0 H CYS A 43 79.618 -4.206 38.088 1.00 0.00 H new ATOM 0 HA CYS A 43 77.435 -5.798 36.978 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.304 -5.614 35.961 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.859 -5.962 35.031 1.00 0.00 H new ATOM 666 N GLN A 44 80.101 -7.233 38.279 1.00 0.00 N ATOM 667 CA GLN A 44 80.647 -8.562 38.694 1.00 0.00 C ATOM 668 C GLN A 44 79.747 -9.235 39.736 1.00 0.00 C ATOM 669 O GLN A 44 79.255 -10.325 39.519 1.00 0.00 O ATOM 670 CB GLN A 44 82.042 -8.360 39.288 1.00 0.00 C ATOM 671 CG GLN A 44 82.673 -9.715 39.610 1.00 0.00 C ATOM 672 CD GLN A 44 84.131 -9.503 40.029 1.00 0.00 C ATOM 673 OE1 GLN A 44 85.086 -9.762 39.177 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.402 -9.087 41.138 1.00 0.00 N ATOM 0 H GLN A 44 80.652 -6.427 38.573 1.00 0.00 H new ATOM 0 HA GLN A 44 80.692 -9.207 37.817 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.671 -7.815 38.584 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.977 -7.755 40.193 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.120 -10.207 40.410 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.623 -10.369 38.740 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.656 -8.885 41.803 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.376 -8.940 41.404 1.00 0.00 H new ATOM 683 N LEU A 45 79.527 -8.611 40.860 1.00 0.00 N ATOM 684 CA LEU A 45 78.654 -9.244 41.896 1.00 0.00 C ATOM 685 C LEU A 45 77.188 -8.979 41.546 1.00 0.00 C ATOM 686 O LEU A 45 76.577 -8.059 42.051 1.00 0.00 O ATOM 687 CB LEU A 45 78.948 -8.648 43.269 1.00 0.00 C ATOM 688 CG LEU A 45 80.411 -8.898 43.673 1.00 0.00 C ATOM 689 CD1 LEU A 45 80.671 -8.260 45.044 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.698 -10.411 43.744 1.00 0.00 C ATOM 0 H LEU A 45 79.909 -7.698 41.108 1.00 0.00 H new ATOM 0 HA LEU A 45 78.851 -10.316 41.919 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.748 -7.577 43.255 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.281 -9.087 44.011 1.00 0.00 H new ATOM 0 HG LEU A 45 81.068 -8.453 42.926 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.707 -8.434 45.336 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.485 -7.187 44.987 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.006 -8.705 45.784 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.737 -10.571 44.031 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.042 -10.871 44.483 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.518 -10.862 42.768 1.00 0.00 H new ATOM 702 N LYS A 46 76.623 -9.776 40.687 1.00 0.00 N ATOM 703 CA LYS A 46 75.194 -9.581 40.288 1.00 0.00 C ATOM 704 C LYS A 46 74.282 -10.478 41.134 1.00 0.00 C ATOM 705 O LYS A 46 73.103 -10.221 41.277 1.00 0.00 O ATOM 706 CB LYS A 46 75.045 -9.943 38.801 1.00 0.00 C ATOM 707 CG LYS A 46 73.592 -9.764 38.327 1.00 0.00 C ATOM 708 CD LYS A 46 73.152 -8.300 38.469 1.00 0.00 C ATOM 709 CE LYS A 46 71.944 -8.037 37.565 1.00 0.00 C ATOM 710 NZ LYS A 46 71.524 -6.610 37.697 1.00 0.00 N ATOM 0 H LYS A 46 77.090 -10.563 40.237 1.00 0.00 H new ATOM 0 HA LYS A 46 74.906 -8.542 40.451 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.705 -9.315 38.203 1.00 0.00 H new ATOM 0 HB3 LYS A 46 75.357 -10.975 38.642 1.00 0.00 H new ATOM 0 HG2 LYS A 46 73.502 -10.077 37.287 1.00 0.00 H new ATOM 0 HG3 LYS A 46 72.932 -10.406 38.911 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.896 -8.086 39.507 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.973 -7.635 38.199 1.00 0.00 H new ATOM 0 HE2 LYS A 46 72.197 -8.258 36.528 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.121 -8.696 37.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 70.704 -6.431 37.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.266 -6.414 38.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.309 -5.989 37.415 1.00 0.00 H new ATOM 724 N GLY A 47 74.814 -11.533 41.686 1.00 0.00 N ATOM 725 CA GLY A 47 73.976 -12.450 42.509 1.00 0.00 C ATOM 726 C GLY A 47 73.830 -11.889 43.922 1.00 0.00 C ATOM 727 O GLY A 47 74.419 -10.882 44.266 1.00 0.00 O ATOM 0 H GLY A 47 75.795 -11.800 41.603 1.00 0.00 H new ATOM 0 HA2 GLY A 47 72.994 -12.569 42.052 1.00 0.00 H new ATOM 0 HA3 GLY A 47 74.432 -13.439 42.546 1.00 0.00 H new ATOM 731 N GLU A 48 73.055 -12.541 44.749 1.00 0.00 N ATOM 732 CA GLU A 48 72.874 -12.059 46.150 1.00 0.00 C ATOM 733 C GLU A 48 74.009 -12.618 47.011 1.00 0.00 C ATOM 734 O GLU A 48 74.235 -13.812 47.058 1.00 0.00 O ATOM 735 CB GLU A 48 71.525 -12.556 46.687 1.00 0.00 C ATOM 736 CG GLU A 48 71.296 -12.046 48.117 1.00 0.00 C ATOM 737 CD GLU A 48 71.189 -10.519 48.113 1.00 0.00 C ATOM 738 OE1 GLU A 48 70.939 -9.967 47.053 1.00 0.00 O ATOM 739 OE2 GLU A 48 71.361 -9.931 49.166 1.00 0.00 O ATOM 0 H GLU A 48 72.539 -13.389 44.514 1.00 0.00 H new ATOM 0 HA GLU A 48 72.891 -10.970 46.178 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.719 -12.212 46.038 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.501 -13.646 46.675 1.00 0.00 H new ATOM 0 HG2 GLU A 48 70.385 -12.482 48.527 1.00 0.00 H new ATOM 0 HG3 GLU A 48 72.118 -12.360 48.761 1.00 0.00 H new ATOM 746 N ALA A 49 74.727 -11.769 47.694 1.00 0.00 N ATOM 747 CA ALA A 49 75.852 -12.253 48.551 1.00 0.00 C ATOM 748 C ALA A 49 75.335 -12.551 49.960 1.00 0.00 C ATOM 749 O ALA A 49 75.209 -13.690 50.363 1.00 0.00 O ATOM 750 CB ALA A 49 76.939 -11.180 48.623 1.00 0.00 C ATOM 0 H ALA A 49 74.585 -10.759 47.697 1.00 0.00 H new ATOM 0 HA ALA A 49 76.268 -13.163 48.119 1.00 0.00 H new ATOM 0 HB1 ALA A 49 77.759 -11.534 49.248 1.00 0.00 H new ATOM 0 HB2 ALA A 49 77.311 -10.971 47.620 1.00 0.00 H new ATOM 0 HB3 ALA A 49 76.523 -10.269 49.052 1.00 0.00 H new ATOM 756 N MET A 50 75.043 -11.529 50.716 1.00 0.00 N ATOM 757 CA MET A 50 74.539 -11.738 52.104 1.00 0.00 C ATOM 758 C MET A 50 73.229 -12.527 52.066 1.00 0.00 C ATOM 759 O MET A 50 72.410 -12.351 51.186 1.00 0.00 O ATOM 760 CB MET A 50 74.291 -10.381 52.766 1.00 0.00 C ATOM 761 CG MET A 50 73.211 -9.623 51.990 1.00 0.00 C ATOM 762 SD MET A 50 73.083 -7.934 52.620 1.00 0.00 S ATOM 763 CE MET A 50 71.763 -7.389 51.506 1.00 0.00 C ATOM 0 H MET A 50 75.132 -10.554 50.431 1.00 0.00 H new ATOM 0 HA MET A 50 75.282 -12.296 52.675 1.00 0.00 H new ATOM 0 HB2 MET A 50 73.979 -10.521 53.801 1.00 0.00 H new ATOM 0 HB3 MET A 50 75.213 -9.801 52.787 1.00 0.00 H new ATOM 0 HG2 MET A 50 73.455 -9.608 50.928 1.00 0.00 H new ATOM 0 HG3 MET A 50 72.253 -10.132 52.089 1.00 0.00 H new ATOM 0 HE1 MET A 50 71.514 -6.349 51.718 1.00 0.00 H new ATOM 0 HE2 MET A 50 72.099 -7.478 50.473 1.00 0.00 H new ATOM 0 HE3 MET A 50 70.881 -8.011 51.655 1.00 0.00 H new ATOM 773 N HIS A 51 73.032 -13.397 53.018 1.00 0.00 N ATOM 774 CA HIS A 51 71.784 -14.208 53.060 1.00 0.00 C ATOM 775 C HIS A 51 71.668 -15.043 51.783 1.00 0.00 C ATOM 776 O HIS A 51 72.638 -15.270 51.087 1.00 0.00 O ATOM 777 CB HIS A 51 70.568 -13.283 53.184 1.00 0.00 C ATOM 778 CG HIS A 51 69.378 -14.084 53.637 1.00 0.00 C ATOM 779 ND1 HIS A 51 68.114 -14.229 53.121 1.00 0.00 N flip ATOM 780 CD2 HIS A 51 69.426 -14.900 54.758 1.00 0.00 C flip ATOM 781 CE1 HIS A 51 67.393 -15.121 53.908 1.00 0.00 C flip ATOM 782 NE2 HIS A 51 68.227 -15.496 54.880 1.00 0.00 N flip ATOM 0 H HIS A 51 73.689 -13.582 53.776 1.00 0.00 H new ATOM 0 HA HIS A 51 71.818 -14.873 53.923 1.00 0.00 H new ATOM 0 HB2 HIS A 51 70.775 -12.484 53.896 1.00 0.00 H new ATOM 0 HB3 HIS A 51 70.358 -12.809 52.225 1.00 0.00 H new ATOM 0 HD2 HIS A 51 70.273 -15.033 55.414 1.00 0.00 H new ATOM 0 HE1 HIS A 51 66.372 -15.443 53.763 1.00 0.00 H new ATOM 0 HE2 HIS A 51 67.985 -16.152 55.622 1.00 0.00 H new ATOM 790 N GLY A 52 70.486 -15.505 51.469 1.00 0.00 N ATOM 791 CA GLY A 52 70.306 -16.330 50.240 1.00 0.00 C ATOM 792 C GLY A 52 70.454 -17.809 50.603 1.00 0.00 C ATOM 793 O GLY A 52 71.363 -18.471 50.153 1.00 0.00 O ATOM 0 H GLY A 52 69.637 -15.346 52.012 1.00 0.00 H new ATOM 0 HA2 GLY A 52 69.324 -16.146 49.804 1.00 0.00 H new ATOM 0 HA3 GLY A 52 71.045 -16.052 49.489 1.00 0.00 H new ATOM 797 N GLN A 53 69.571 -18.320 51.425 1.00 0.00 N ATOM 798 CA GLN A 53 69.654 -19.757 51.836 1.00 0.00 C ATOM 799 C GLN A 53 70.936 -19.982 52.646 1.00 0.00 C ATOM 800 O GLN A 53 71.853 -20.650 52.209 1.00 0.00 O ATOM 801 CB GLN A 53 69.654 -20.656 50.592 1.00 0.00 C ATOM 802 CG GLN A 53 69.306 -22.094 50.985 1.00 0.00 C ATOM 803 CD GLN A 53 67.839 -22.174 51.408 1.00 0.00 C ATOM 804 OE1 GLN A 53 66.952 -21.952 50.609 1.00 0.00 O ATOM 805 NE2 GLN A 53 67.546 -22.485 52.640 1.00 0.00 N ATOM 0 H GLN A 53 68.792 -17.801 51.831 1.00 0.00 H new ATOM 0 HA GLN A 53 68.790 -20.009 52.452 1.00 0.00 H new ATOM 0 HB2 GLN A 53 68.932 -20.284 49.865 1.00 0.00 H new ATOM 0 HB3 GLN A 53 70.633 -20.628 50.113 1.00 0.00 H new ATOM 0 HG2 GLN A 53 69.489 -22.765 50.146 1.00 0.00 H new ATOM 0 HG3 GLN A 53 69.948 -22.423 51.802 1.00 0.00 H new ATOM 0 HE21 GLN A 53 68.292 -22.671 53.310 1.00 0.00 H new ATOM 0 HE22 GLN A 53 66.571 -22.542 52.933 1.00 0.00 H new ATOM 814 N VAL A 54 70.999 -19.423 53.828 1.00 0.00 N ATOM 815 CA VAL A 54 72.210 -19.585 54.690 1.00 0.00 C ATOM 816 C VAL A 54 72.005 -20.767 55.643 1.00 0.00 C ATOM 817 O VAL A 54 70.952 -20.929 56.229 1.00 0.00 O ATOM 818 CB VAL A 54 72.418 -18.308 55.513 1.00 0.00 C ATOM 819 CG1 VAL A 54 71.188 -18.063 56.397 1.00 0.00 C ATOM 820 CG2 VAL A 54 73.659 -18.467 56.395 1.00 0.00 C ATOM 0 H VAL A 54 70.256 -18.856 54.237 1.00 0.00 H new ATOM 0 HA VAL A 54 73.082 -19.768 54.062 1.00 0.00 H new ATOM 0 HB VAL A 54 72.556 -17.461 54.842 1.00 0.00 H new ATOM 0 HG11 VAL A 54 71.335 -17.155 56.982 1.00 0.00 H new ATOM 0 HG12 VAL A 54 70.305 -17.950 55.768 1.00 0.00 H new ATOM 0 HG13 VAL A 54 71.049 -18.910 57.069 1.00 0.00 H new ATOM 0 HG21 VAL A 54 73.808 -17.560 56.981 1.00 0.00 H new ATOM 0 HG22 VAL A 54 73.522 -19.314 57.067 1.00 0.00 H new ATOM 0 HG23 VAL A 54 74.532 -18.640 55.766 1.00 0.00 H new ATOM 830 N ASP A 55 73.007 -21.594 55.800 1.00 0.00 N ATOM 831 CA ASP A 55 72.889 -22.769 56.705 1.00 0.00 C ATOM 832 C ASP A 55 74.261 -23.057 57.331 1.00 0.00 C ATOM 833 O ASP A 55 75.214 -23.210 56.583 1.00 0.00 O ATOM 834 CB ASP A 55 72.427 -23.982 55.886 1.00 0.00 C ATOM 835 CG ASP A 55 70.899 -23.966 55.743 1.00 0.00 C ATOM 836 OD1 ASP A 55 70.235 -23.738 56.742 1.00 0.00 O ATOM 837 OD2 ASP A 55 70.423 -24.180 54.642 1.00 0.00 O ATOM 838 OXT ASP A 55 74.334 -23.118 58.549 1.00 0.00 O ATOM 0 H ASP A 55 73.909 -21.501 55.334 1.00 0.00 H new ATOM 0 HA ASP A 55 72.166 -22.567 57.495 1.00 0.00 H new ATOM 0 HB2 ASP A 55 72.893 -23.965 54.901 1.00 0.00 H new ATOM 0 HB3 ASP A 55 72.745 -24.903 56.374 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.508 -14.590 21.896 1.00 0.00 N ATOM 845 CA PHE B 1 92.474 -14.256 22.919 1.00 0.00 C ATOM 846 C PHE B 1 91.866 -15.543 23.477 1.00 0.00 C ATOM 847 O PHE B 1 92.366 -16.129 24.415 1.00 0.00 O ATOM 848 CB PHE B 1 91.364 -13.423 22.271 1.00 0.00 C ATOM 849 CG PHE B 1 91.831 -12.002 22.088 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.480 -11.626 20.907 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.609 -11.057 23.097 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.906 -10.305 20.733 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.036 -9.737 22.923 1.00 0.00 C ATOM 854 CZ PHE B 1 92.685 -9.360 21.743 1.00 0.00 C ATOM 0 H1 PHE B 1 93.577 -13.815 21.206 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.428 -14.722 22.363 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.240 -15.467 21.405 1.00 0.00 H new ATOM 0 HA PHE B 1 92.940 -13.690 23.726 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.090 -13.852 21.307 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.470 -13.444 22.894 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.652 -12.356 20.130 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.108 -11.347 24.009 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.405 -10.014 19.820 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.864 -9.008 23.701 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.016 -8.340 21.611 1.00 0.00 H new ATOM 866 N LEU B 2 90.774 -15.972 22.908 1.00 0.00 N ATOM 867 CA LEU B 2 90.104 -17.210 23.389 1.00 0.00 C ATOM 868 C LEU B 2 91.057 -18.406 23.267 1.00 0.00 C ATOM 869 O LEU B 2 91.105 -19.257 24.132 1.00 0.00 O ATOM 870 CB LEU B 2 88.843 -17.457 22.553 1.00 0.00 C ATOM 871 CG LEU B 2 87.857 -16.289 22.720 1.00 0.00 C ATOM 872 CD1 LEU B 2 86.772 -16.383 21.646 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.190 -16.335 24.104 1.00 0.00 C ATOM 0 H LEU B 2 90.314 -15.512 22.123 1.00 0.00 H new ATOM 0 HA LEU B 2 89.829 -17.090 24.437 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.111 -17.569 21.502 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.370 -18.389 22.862 1.00 0.00 H new ATOM 0 HG LEU B 2 88.409 -15.354 22.621 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.072 -15.556 21.763 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.232 -16.333 20.659 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.238 -17.328 21.750 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.496 -15.500 24.201 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.646 -17.273 24.215 1.00 0.00 H new ATOM 0 HD23 LEU B 2 87.954 -16.264 24.878 1.00 0.00 H new ATOM 885 N ASP B 3 91.806 -18.492 22.202 1.00 0.00 N ATOM 886 CA ASP B 3 92.737 -19.648 22.056 1.00 0.00 C ATOM 887 C ASP B 3 93.785 -19.609 23.169 1.00 0.00 C ATOM 888 O ASP B 3 94.139 -20.624 23.738 1.00 0.00 O ATOM 889 CB ASP B 3 93.449 -19.559 20.711 1.00 0.00 C ATOM 890 CG ASP B 3 92.460 -19.837 19.579 1.00 0.00 C ATOM 891 OD1 ASP B 3 91.740 -18.925 19.212 1.00 0.00 O ATOM 892 OD2 ASP B 3 92.430 -20.962 19.108 1.00 0.00 O ATOM 0 H ASP B 3 91.815 -17.821 21.434 1.00 0.00 H new ATOM 0 HA ASP B 3 92.167 -20.575 22.117 1.00 0.00 H new ATOM 0 HB2 ASP B 3 93.888 -18.569 20.587 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.268 -20.278 20.675 1.00 0.00 H new ATOM 897 N GLY B 4 94.278 -18.445 23.490 1.00 0.00 N ATOM 898 CA GLY B 4 95.296 -18.341 24.573 1.00 0.00 C ATOM 899 C GLY B 4 94.659 -18.767 25.892 1.00 0.00 C ATOM 900 O GLY B 4 95.273 -19.405 26.722 1.00 0.00 O ATOM 0 H GLY B 4 94.020 -17.562 23.050 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.154 -18.975 24.346 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.666 -17.318 24.646 1.00 0.00 H new ATOM 904 N ILE B 5 93.421 -18.408 26.082 1.00 0.00 N ATOM 905 CA ILE B 5 92.704 -18.772 27.331 1.00 0.00 C ATOM 906 C ILE B 5 92.468 -20.287 27.400 1.00 0.00 C ATOM 907 O ILE B 5 92.571 -20.891 28.451 1.00 0.00 O ATOM 908 CB ILE B 5 91.369 -18.016 27.369 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.646 -16.534 27.654 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.461 -18.597 28.457 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.363 -15.720 27.465 1.00 0.00 C ATOM 0 H ILE B 5 92.869 -17.870 25.414 1.00 0.00 H new ATOM 0 HA ILE B 5 93.309 -18.493 28.194 1.00 0.00 H new ATOM 0 HB ILE B 5 90.865 -18.120 26.408 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.017 -16.413 28.672 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.423 -16.165 26.985 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.517 -18.051 28.473 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.268 -19.649 28.247 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.950 -18.505 29.427 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.566 -14.669 27.669 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.010 -15.829 26.439 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.598 -16.082 28.152 1.00 0.00 H new ATOM 923 N ASP B 6 92.130 -20.905 26.308 1.00 0.00 N ATOM 924 CA ASP B 6 91.863 -22.368 26.351 1.00 0.00 C ATOM 925 C ASP B 6 93.106 -23.120 26.815 1.00 0.00 C ATOM 926 O ASP B 6 93.034 -24.004 27.645 1.00 0.00 O ATOM 927 CB ASP B 6 91.489 -22.858 24.951 1.00 0.00 C ATOM 928 CG ASP B 6 90.093 -22.353 24.578 1.00 0.00 C ATOM 929 OD1 ASP B 6 89.130 -22.875 25.117 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.005 -21.455 23.754 1.00 0.00 O ATOM 0 H ASP B 6 92.027 -20.466 25.393 1.00 0.00 H new ATOM 0 HA ASP B 6 91.046 -22.553 27.048 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.220 -22.503 24.225 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.512 -23.947 24.919 1.00 0.00 H new ATOM 935 N LYS B 7 94.244 -22.783 26.289 1.00 0.00 N ATOM 936 CA LYS B 7 95.483 -23.493 26.702 1.00 0.00 C ATOM 937 C LYS B 7 95.802 -23.163 28.160 1.00 0.00 C ATOM 938 O LYS B 7 96.150 -24.026 28.941 1.00 0.00 O ATOM 939 CB LYS B 7 96.640 -23.047 25.807 1.00 0.00 C ATOM 940 CG LYS B 7 97.887 -23.859 26.146 1.00 0.00 C ATOM 941 CD LYS B 7 99.039 -23.414 25.246 1.00 0.00 C ATOM 942 CE LYS B 7 100.270 -24.285 25.512 1.00 0.00 C ATOM 943 NZ LYS B 7 101.378 -23.861 24.610 1.00 0.00 N ATOM 0 H LYS B 7 94.372 -22.049 25.593 1.00 0.00 H new ATOM 0 HA LYS B 7 95.339 -24.569 26.603 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.377 -23.185 24.758 1.00 0.00 H new ATOM 0 HB3 LYS B 7 96.835 -21.984 25.949 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.153 -23.718 27.194 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.692 -24.922 26.007 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.746 -23.492 24.199 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.276 -22.367 25.433 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.578 -24.191 26.553 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.030 -25.335 25.344 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 102.216 -24.451 24.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 101.081 -23.972 23.619 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 101.612 -22.864 24.792 1.00 0.00 H new ATOM 957 N ALA B 8 95.685 -21.918 28.526 1.00 0.00 N ATOM 958 CA ALA B 8 95.979 -21.513 29.930 1.00 0.00 C ATOM 959 C ALA B 8 94.901 -22.053 30.874 1.00 0.00 C ATOM 960 O ALA B 8 95.177 -22.408 32.003 1.00 0.00 O ATOM 961 CB ALA B 8 96.013 -19.984 30.021 1.00 0.00 C ATOM 0 H ALA B 8 95.397 -21.158 27.910 1.00 0.00 H new ATOM 0 HA ALA B 8 96.945 -21.924 30.223 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.228 -19.685 31.047 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.789 -19.597 29.360 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.046 -19.580 29.720 1.00 0.00 H new ATOM 967 N GLN B 9 93.671 -22.096 30.435 1.00 0.00 N ATOM 968 CA GLN B 9 92.581 -22.586 31.328 1.00 0.00 C ATOM 969 C GLN B 9 92.852 -24.038 31.732 1.00 0.00 C ATOM 970 O GLN B 9 93.020 -24.908 30.900 1.00 0.00 O ATOM 971 CB GLN B 9 91.250 -22.498 30.581 1.00 0.00 C ATOM 972 CG GLN B 9 90.102 -22.930 31.498 1.00 0.00 C ATOM 973 CD GLN B 9 88.778 -22.797 30.740 1.00 0.00 C ATOM 974 OE1 GLN B 9 88.682 -22.039 29.798 1.00 0.00 O ATOM 975 NE2 GLN B 9 87.750 -23.514 31.109 1.00 0.00 N ATOM 0 H GLN B 9 93.375 -21.814 29.500 1.00 0.00 H new ATOM 0 HA GLN B 9 92.541 -21.972 32.228 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.085 -21.478 30.235 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.278 -23.134 29.696 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.247 -23.960 31.823 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.085 -22.312 32.396 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.831 -24.151 31.901 1.00 0.00 H new ATOM 0 HE22 GLN B 9 86.867 -23.436 30.605 1.00 0.00 H new ATOM 984 N GLU B 10 92.893 -24.291 33.013 1.00 0.00 N ATOM 985 CA GLU B 10 93.153 -25.670 33.523 1.00 0.00 C ATOM 986 C GLU B 10 92.405 -25.843 34.851 1.00 0.00 C ATOM 987 O GLU B 10 91.540 -25.061 35.193 1.00 0.00 O ATOM 988 CB GLU B 10 94.672 -25.860 33.742 1.00 0.00 C ATOM 989 CG GLU B 10 95.323 -26.444 32.484 1.00 0.00 C ATOM 990 CD GLU B 10 94.896 -27.904 32.331 1.00 0.00 C ATOM 991 OE1 GLU B 10 95.007 -28.635 33.303 1.00 0.00 O ATOM 992 OE2 GLU B 10 94.466 -28.266 31.250 1.00 0.00 O ATOM 0 H GLU B 10 92.755 -23.589 33.740 1.00 0.00 H new ATOM 0 HA GLU B 10 92.807 -26.413 32.804 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.133 -24.903 33.987 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.844 -26.523 34.590 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.025 -25.871 31.606 1.00 0.00 H new ATOM 0 HG3 GLU B 10 96.408 -26.375 32.556 1.00 0.00 H new ATOM 999 N GLU B 11 92.734 -26.856 35.605 1.00 0.00 N ATOM 1000 CA GLU B 11 92.046 -27.062 36.908 1.00 0.00 C ATOM 1001 C GLU B 11 92.486 -25.959 37.882 1.00 0.00 C ATOM 1002 O GLU B 11 93.536 -25.367 37.728 1.00 0.00 O ATOM 1003 CB GLU B 11 92.398 -28.455 37.470 1.00 0.00 C ATOM 1004 CG GLU B 11 93.782 -28.886 36.972 1.00 0.00 C ATOM 1005 CD GLU B 11 94.336 -29.998 37.873 1.00 0.00 C ATOM 1006 OE1 GLU B 11 94.821 -29.681 38.947 1.00 0.00 O ATOM 1007 OE2 GLU B 11 94.258 -31.149 37.474 1.00 0.00 O ATOM 0 H GLU B 11 93.448 -27.547 35.375 1.00 0.00 H new ATOM 0 HA GLU B 11 90.966 -27.011 36.772 1.00 0.00 H new ATOM 0 HB2 GLU B 11 92.386 -28.430 38.560 1.00 0.00 H new ATOM 0 HB3 GLU B 11 91.648 -29.182 37.159 1.00 0.00 H new ATOM 0 HG2 GLU B 11 93.715 -29.239 35.943 1.00 0.00 H new ATOM 0 HG3 GLU B 11 94.461 -28.033 36.973 1.00 0.00 H new ATOM 1014 N HIS B 12 91.683 -25.667 38.863 1.00 0.00 N ATOM 1015 CA HIS B 12 92.035 -24.587 39.829 1.00 0.00 C ATOM 1016 C HIS B 12 93.290 -24.967 40.617 1.00 0.00 C ATOM 1017 O HIS B 12 93.222 -25.440 41.733 1.00 0.00 O ATOM 1018 CB HIS B 12 90.861 -24.393 40.784 1.00 0.00 C ATOM 1019 CG HIS B 12 91.162 -23.302 41.775 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.954 -21.962 41.485 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.601 -23.341 43.076 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.252 -21.254 42.592 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.652 -22.049 43.588 1.00 0.00 N ATOM 0 H HIS B 12 90.792 -26.131 39.040 1.00 0.00 H new ATOM 0 HA HIS B 12 92.238 -23.662 39.289 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.963 -24.142 40.219 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.656 -25.325 41.311 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.866 -24.237 43.618 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.177 -20.179 42.665 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.935 -21.768 44.527 1.00 0.00 H new ATOM 1031 N GLU B 13 94.441 -24.750 40.036 1.00 0.00 N ATOM 1032 CA GLU B 13 95.721 -25.077 40.726 1.00 0.00 C ATOM 1033 C GLU B 13 96.199 -23.856 41.514 1.00 0.00 C ATOM 1034 O GLU B 13 95.504 -22.865 41.623 1.00 0.00 O ATOM 1035 CB GLU B 13 96.774 -25.453 39.685 1.00 0.00 C ATOM 1036 CG GLU B 13 96.382 -26.775 39.024 1.00 0.00 C ATOM 1037 CD GLU B 13 97.396 -27.127 37.933 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.764 -26.238 37.185 1.00 0.00 O ATOM 1039 OE2 GLU B 13 97.779 -28.283 37.861 1.00 0.00 O ATOM 0 H GLU B 13 94.548 -24.355 39.102 1.00 0.00 H new ATOM 0 HA GLU B 13 95.566 -25.913 41.408 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.856 -24.668 38.934 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.752 -25.545 40.157 1.00 0.00 H new ATOM 0 HG2 GLU B 13 96.346 -27.569 39.770 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.384 -26.696 38.594 1.00 0.00 H new ATOM 1046 N LYS B 14 97.381 -23.924 42.061 1.00 0.00 N ATOM 1047 CA LYS B 14 97.916 -22.774 42.844 1.00 0.00 C ATOM 1048 C LYS B 14 98.197 -21.608 41.891 1.00 0.00 C ATOM 1049 O LYS B 14 98.161 -20.457 42.277 1.00 0.00 O ATOM 1050 CB LYS B 14 99.217 -23.189 43.536 1.00 0.00 C ATOM 1051 CG LYS B 14 98.992 -24.467 44.356 1.00 0.00 C ATOM 1052 CD LYS B 14 98.010 -24.206 45.508 1.00 0.00 C ATOM 1053 CE LYS B 14 98.105 -25.345 46.523 1.00 0.00 C ATOM 1054 NZ LYS B 14 97.138 -25.103 47.632 1.00 0.00 N ATOM 0 H LYS B 14 98.003 -24.730 41.999 1.00 0.00 H new ATOM 0 HA LYS B 14 97.187 -22.470 43.595 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.996 -23.357 42.793 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.564 -22.386 44.186 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.603 -25.255 43.711 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.942 -24.821 44.755 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.241 -23.255 45.989 1.00 0.00 H new ATOM 0 HD3 LYS B 14 96.993 -24.130 45.124 1.00 0.00 H new ATOM 0 HE2 LYS B 14 97.889 -26.297 46.039 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.119 -25.411 46.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 97.202 -25.877 48.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 97.364 -24.202 48.100 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 96.173 -25.061 47.248 1.00 0.00 H new ATOM 1068 N TYR B 15 98.479 -21.899 40.650 1.00 0.00 N ATOM 1069 CA TYR B 15 98.765 -20.809 39.672 1.00 0.00 C ATOM 1070 C TYR B 15 97.561 -19.869 39.583 1.00 0.00 C ATOM 1071 O TYR B 15 97.703 -18.681 39.374 1.00 0.00 O ATOM 1072 CB TYR B 15 99.035 -21.415 38.292 1.00 0.00 C ATOM 1073 CG TYR B 15 100.424 -22.001 38.257 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.660 -23.273 38.793 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.478 -21.272 37.693 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.950 -23.815 38.764 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.765 -21.815 37.664 1.00 0.00 C ATOM 1078 CZ TYR B 15 103.000 -23.086 38.200 1.00 0.00 C ATOM 1079 OH TYR B 15 104.266 -23.622 38.173 1.00 0.00 O ATOM 0 H TYR B 15 98.524 -22.845 40.270 1.00 0.00 H new ATOM 0 HA TYR B 15 99.640 -20.250 40.004 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.298 -22.188 38.073 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.933 -20.650 37.522 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.847 -23.835 39.228 1.00 0.00 H new ATOM 0 HD2 TYR B 15 101.296 -20.291 37.281 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.134 -24.796 39.177 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.578 -21.254 37.228 1.00 0.00 H new ATOM 0 HH TYR B 15 104.880 -22.989 37.746 1.00 0.00 H new ATOM 1089 N HIS B 16 96.374 -20.385 39.730 1.00 0.00 N ATOM 1090 CA HIS B 16 95.181 -19.501 39.646 1.00 0.00 C ATOM 1091 C HIS B 16 95.276 -18.427 40.736 1.00 0.00 C ATOM 1092 O HIS B 16 94.960 -17.275 40.509 1.00 0.00 O ATOM 1093 CB HIS B 16 93.904 -20.327 39.857 1.00 0.00 C ATOM 1094 CG HIS B 16 93.512 -21.038 38.585 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.209 -21.472 38.351 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.230 -21.394 37.467 1.00 0.00 C ATOM 1097 CE1 HIS B 16 92.185 -22.058 37.139 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.388 -22.037 36.562 1.00 0.00 N ATOM 0 H HIS B 16 96.179 -21.371 39.903 1.00 0.00 H new ATOM 0 HA HIS B 16 95.146 -19.032 38.663 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.063 -21.055 40.652 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.092 -19.675 40.180 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.282 -21.205 37.314 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.303 -22.491 36.690 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.639 -22.414 35.648 1.00 0.00 H new ATOM 1106 N SER B 17 95.714 -18.781 41.916 1.00 0.00 N ATOM 1107 CA SER B 17 95.827 -17.753 42.990 1.00 0.00 C ATOM 1108 C SER B 17 96.793 -16.662 42.522 1.00 0.00 C ATOM 1109 O SER B 17 96.535 -15.485 42.666 1.00 0.00 O ATOM 1110 CB SER B 17 96.368 -18.398 44.269 1.00 0.00 C ATOM 1111 OG SER B 17 97.723 -18.779 44.058 1.00 0.00 O ATOM 0 H SER B 17 95.995 -19.725 42.180 1.00 0.00 H new ATOM 0 HA SER B 17 94.846 -17.324 43.196 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.299 -17.698 45.102 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.769 -19.269 44.534 1.00 0.00 H new ATOM 0 HG SER B 17 97.757 -19.709 43.751 1.00 0.00 H new ATOM 1117 N ASN B 18 97.901 -17.048 41.937 1.00 0.00 N ATOM 1118 CA ASN B 18 98.880 -16.037 41.437 1.00 0.00 C ATOM 1119 C ASN B 18 98.609 -15.760 39.950 1.00 0.00 C ATOM 1120 O ASN B 18 99.115 -16.440 39.080 1.00 0.00 O ATOM 1121 CB ASN B 18 100.303 -16.584 41.605 1.00 0.00 C ATOM 1122 CG ASN B 18 100.574 -16.868 43.086 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.330 -16.027 43.931 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.073 -18.021 43.439 1.00 0.00 N ATOM 0 H ASN B 18 98.168 -18.021 41.785 1.00 0.00 H new ATOM 0 HA ASN B 18 98.776 -15.112 42.004 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.424 -17.497 41.021 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.027 -15.864 41.224 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.258 -18.217 44.423 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.278 -18.726 42.731 1.00 0.00 H new ATOM 1131 N TRP B 19 97.811 -14.765 39.648 1.00 0.00 N ATOM 1132 CA TRP B 19 97.513 -14.452 38.217 1.00 0.00 C ATOM 1133 C TRP B 19 98.754 -13.867 37.537 1.00 0.00 C ATOM 1134 O TRP B 19 98.916 -13.958 36.335 1.00 0.00 O ATOM 1135 CB TRP B 19 96.341 -13.465 38.114 1.00 0.00 C ATOM 1136 CG TRP B 19 96.720 -12.129 38.678 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.400 -11.698 39.919 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.468 -11.042 38.051 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.892 -10.418 40.091 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.559 -9.970 38.970 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.068 -10.880 36.790 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.218 -8.781 38.649 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.735 -9.685 36.465 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.807 -8.638 37.392 1.00 0.00 C ATOM 0 H TRP B 19 97.355 -14.158 40.329 1.00 0.00 H new ATOM 0 HA TRP B 19 97.233 -15.376 37.711 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.044 -13.354 37.071 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.479 -13.860 38.651 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.849 -12.263 40.657 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.776 -9.871 40.944 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.016 -11.679 36.065 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.271 -7.978 39.369 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.195 -9.574 35.494 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.317 -7.722 37.135 1.00 0.00 H new ATOM 1155 N ARG B 20 99.615 -13.246 38.292 1.00 0.00 N ATOM 1156 CA ARG B 20 100.832 -12.636 37.688 1.00 0.00 C ATOM 1157 C ARG B 20 101.693 -13.717 37.035 1.00 0.00 C ATOM 1158 O ARG B 20 102.239 -13.524 35.966 1.00 0.00 O ATOM 1159 CB ARG B 20 101.634 -11.940 38.790 1.00 0.00 C ATOM 1160 CG ARG B 20 100.873 -10.704 39.264 1.00 0.00 C ATOM 1161 CD ARG B 20 101.669 -10.001 40.366 1.00 0.00 C ATOM 1162 NE ARG B 20 100.883 -8.849 40.890 1.00 0.00 N ATOM 1163 CZ ARG B 20 101.242 -8.270 42.001 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.301 -8.690 42.642 1.00 0.00 N ATOM 1165 NH2 ARG B 20 100.546 -7.274 42.472 1.00 0.00 N ATOM 0 H ARG B 20 99.529 -13.134 39.302 1.00 0.00 H new ATOM 0 HA ARG B 20 100.537 -11.914 36.926 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.797 -12.623 39.624 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.617 -11.655 38.415 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.710 -10.023 38.429 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.890 -10.991 39.638 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.890 -10.701 41.172 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.625 -9.654 39.974 1.00 0.00 H new ATOM 0 HE ARG B 20 100.065 -8.514 40.380 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.845 -9.470 42.272 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.583 -8.238 43.512 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.720 -6.947 41.971 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.827 -6.821 43.342 1.00 0.00 H new ATOM 1179 N ALA B 21 101.821 -14.851 37.657 1.00 0.00 N ATOM 1180 CA ALA B 21 102.649 -15.936 37.055 1.00 0.00 C ATOM 1181 C ALA B 21 102.077 -16.327 35.692 1.00 0.00 C ATOM 1182 O ALA B 21 102.801 -16.564 34.744 1.00 0.00 O ATOM 1183 CB ALA B 21 102.633 -17.152 37.980 1.00 0.00 C ATOM 0 H ALA B 21 101.391 -15.077 38.554 1.00 0.00 H new ATOM 0 HA ALA B 21 103.672 -15.583 36.927 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.237 -17.948 37.545 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.043 -16.876 38.951 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.608 -17.501 38.105 1.00 0.00 H new ATOM 1189 N MET B 22 100.778 -16.398 35.587 1.00 0.00 N ATOM 1190 CA MET B 22 100.145 -16.776 34.290 1.00 0.00 C ATOM 1191 C MET B 22 100.480 -15.729 33.227 1.00 0.00 C ATOM 1192 O MET B 22 100.779 -16.051 32.093 1.00 0.00 O ATOM 1193 CB MET B 22 98.629 -16.818 34.475 1.00 0.00 C ATOM 1194 CG MET B 22 97.980 -17.462 33.252 1.00 0.00 C ATOM 1195 SD MET B 22 96.196 -17.149 33.278 1.00 0.00 S ATOM 1196 CE MET B 22 95.853 -17.789 34.937 1.00 0.00 C ATOM 0 H MET B 22 100.124 -16.210 36.347 1.00 0.00 H new ATOM 0 HA MET B 22 100.518 -17.750 33.974 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.378 -17.383 35.372 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.242 -15.809 34.615 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.418 -17.057 32.340 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.172 -18.535 33.248 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.795 -18.037 35.020 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.450 -18.684 35.113 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.107 -17.032 35.679 1.00 0.00 H new ATOM 1206 N ALA B 23 100.419 -14.480 33.586 1.00 0.00 N ATOM 1207 CA ALA B 23 100.721 -13.403 32.605 1.00 0.00 C ATOM 1208 C ALA B 23 102.179 -13.504 32.152 1.00 0.00 C ATOM 1209 O ALA B 23 102.486 -13.382 30.984 1.00 0.00 O ATOM 1210 CB ALA B 23 100.487 -12.041 33.265 1.00 0.00 C ATOM 0 H ALA B 23 100.172 -14.156 34.521 1.00 0.00 H new ATOM 0 HA ALA B 23 100.069 -13.512 31.738 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.707 -11.248 32.550 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.447 -11.965 33.583 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.140 -11.940 34.132 1.00 0.00 H new ATOM 1216 N SER B 24 103.079 -13.720 33.074 1.00 0.00 N ATOM 1217 CA SER B 24 104.518 -13.818 32.704 1.00 0.00 C ATOM 1218 C SER B 24 104.769 -15.096 31.902 1.00 0.00 C ATOM 1219 O SER B 24 105.526 -15.102 30.952 1.00 0.00 O ATOM 1220 CB SER B 24 105.367 -13.845 33.976 1.00 0.00 C ATOM 1221 OG SER B 24 106.741 -13.950 33.626 1.00 0.00 O ATOM 0 H SER B 24 102.878 -13.833 34.068 1.00 0.00 H new ATOM 0 HA SER B 24 104.789 -12.955 32.095 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.197 -12.940 34.559 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.075 -14.687 34.603 1.00 0.00 H new ATOM 0 HG SER B 24 107.286 -13.966 34.440 1.00 0.00 H new ATOM 1227 N ASP B 25 104.147 -16.176 32.275 1.00 0.00 N ATOM 1228 CA ASP B 25 104.362 -17.451 31.535 1.00 0.00 C ATOM 1229 C ASP B 25 103.891 -17.294 30.087 1.00 0.00 C ATOM 1230 O ASP B 25 104.516 -17.787 29.167 1.00 0.00 O ATOM 1231 CB ASP B 25 103.580 -18.574 32.217 1.00 0.00 C ATOM 1232 CG ASP B 25 104.282 -18.962 33.521 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.497 -19.091 33.501 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.596 -19.123 34.516 1.00 0.00 O ATOM 0 H ASP B 25 103.498 -16.233 33.060 1.00 0.00 H new ATOM 0 HA ASP B 25 105.424 -17.698 31.538 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.560 -18.249 32.423 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.512 -19.438 31.556 1.00 0.00 H new ATOM 1239 N PHE B 26 102.791 -16.622 29.877 1.00 0.00 N ATOM 1240 CA PHE B 26 102.268 -16.432 28.487 1.00 0.00 C ATOM 1241 C PHE B 26 102.603 -15.027 27.989 1.00 0.00 C ATOM 1242 O PHE B 26 102.277 -14.664 26.878 1.00 0.00 O ATOM 1243 CB PHE B 26 100.751 -16.628 28.488 1.00 0.00 C ATOM 1244 CG PHE B 26 100.452 -18.090 28.694 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.565 -18.980 27.621 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.077 -18.562 29.958 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.299 -20.340 27.809 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.813 -19.923 30.146 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.923 -20.812 29.072 1.00 0.00 C ATOM 0 H PHE B 26 102.227 -16.193 30.611 1.00 0.00 H new ATOM 0 HA PHE B 26 102.733 -17.162 27.824 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.294 -16.034 29.279 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.325 -16.285 27.545 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.858 -18.617 26.647 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.992 -17.876 30.787 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.384 -21.026 26.979 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.524 -20.287 31.121 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.718 -21.862 29.217 1.00 0.00 H new ATOM 1259 N ASN B 27 103.258 -14.238 28.796 1.00 0.00 N ATOM 1260 CA ASN B 27 103.622 -12.859 28.363 1.00 0.00 C ATOM 1261 C ASN B 27 102.368 -12.100 27.913 1.00 0.00 C ATOM 1262 O ASN B 27 102.358 -11.462 26.880 1.00 0.00 O ATOM 1263 CB ASN B 27 104.635 -12.922 27.214 1.00 0.00 C ATOM 1264 CG ASN B 27 105.978 -13.406 27.759 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.264 -13.242 28.929 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.819 -14.004 26.961 1.00 0.00 N ATOM 0 H ASN B 27 103.557 -14.489 29.738 1.00 0.00 H new ATOM 0 HA ASN B 27 104.071 -12.332 29.205 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.279 -13.597 26.436 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.747 -11.939 26.757 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.715 -14.333 27.319 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.580 -14.142 25.979 1.00 0.00 H new ATOM 1273 N LEU B 28 101.314 -12.158 28.694 1.00 0.00 N ATOM 1274 CA LEU B 28 100.048 -11.435 28.343 1.00 0.00 C ATOM 1275 C LEU B 28 99.745 -10.427 29.459 1.00 0.00 C ATOM 1276 O LEU B 28 100.099 -10.648 30.599 1.00 0.00 O ATOM 1277 CB LEU B 28 98.895 -12.443 28.269 1.00 0.00 C ATOM 1278 CG LEU B 28 99.133 -13.424 27.117 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.200 -14.625 27.282 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.871 -12.742 25.760 1.00 0.00 C ATOM 0 H LEU B 28 101.277 -12.681 29.569 1.00 0.00 H new ATOM 0 HA LEU B 28 100.158 -10.928 27.384 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.815 -12.987 29.210 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.951 -11.919 28.122 1.00 0.00 H new ATOM 0 HG LEU B 28 100.171 -13.755 27.140 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.364 -15.328 26.465 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.406 -15.118 28.232 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.164 -14.286 27.267 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.046 -13.455 24.955 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.838 -12.395 25.720 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.544 -11.892 25.644 1.00 0.00 H new ATOM 1292 N PRO B 29 99.094 -9.333 29.157 1.00 0.00 N ATOM 1293 CA PRO B 29 98.756 -8.314 30.193 1.00 0.00 C ATOM 1294 C PRO B 29 97.705 -8.852 31.174 1.00 0.00 C ATOM 1295 O PRO B 29 97.019 -9.812 30.890 1.00 0.00 O ATOM 1296 CB PRO B 29 98.205 -7.130 29.380 1.00 0.00 C ATOM 1297 CG PRO B 29 97.697 -7.742 28.114 1.00 0.00 C ATOM 1298 CD PRO B 29 98.613 -8.935 27.823 1.00 0.00 C ATOM 0 HA PRO B 29 99.613 -8.037 30.806 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.409 -6.616 29.919 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.982 -6.392 29.179 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.661 -8.063 28.224 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.722 -7.022 27.296 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.073 -9.745 27.333 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.437 -8.657 27.166 1.00 0.00 H new ATOM 1306 N PRO B 30 97.586 -8.245 32.324 1.00 0.00 N ATOM 1307 CA PRO B 30 96.608 -8.684 33.362 1.00 0.00 C ATOM 1308 C PRO B 30 95.190 -8.808 32.787 1.00 0.00 C ATOM 1309 O PRO B 30 94.333 -9.456 33.349 1.00 0.00 O ATOM 1310 CB PRO B 30 96.677 -7.573 34.443 1.00 0.00 C ATOM 1311 CG PRO B 30 97.441 -6.443 33.812 1.00 0.00 C ATOM 1312 CD PRO B 30 98.353 -7.074 32.766 1.00 0.00 C ATOM 0 HA PRO B 30 96.846 -9.671 33.759 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.678 -7.253 34.741 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.178 -7.931 35.342 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.763 -5.724 33.353 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.022 -5.902 34.559 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.556 -6.390 31.942 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.316 -7.359 33.189 1.00 0.00 H new ATOM 1320 N VAL B 31 94.930 -8.178 31.680 1.00 0.00 N ATOM 1321 CA VAL B 31 93.559 -8.246 31.103 1.00 0.00 C ATOM 1322 C VAL B 31 93.183 -9.695 30.799 1.00 0.00 C ATOM 1323 O VAL B 31 92.129 -10.164 31.181 1.00 0.00 O ATOM 1324 CB VAL B 31 93.526 -7.440 29.801 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.181 -7.636 29.099 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.738 -5.957 30.106 1.00 0.00 C ATOM 0 H VAL B 31 95.601 -7.622 31.151 1.00 0.00 H new ATOM 0 HA VAL B 31 92.849 -7.837 31.822 1.00 0.00 H new ATOM 0 HB VAL B 31 94.324 -7.790 29.146 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.166 -7.059 28.174 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.040 -8.692 28.870 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.377 -7.296 29.752 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.714 -5.387 29.177 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.947 -5.605 30.768 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.705 -5.820 30.591 1.00 0.00 H new ATOM 1336 N VAL B 32 94.022 -10.408 30.108 1.00 0.00 N ATOM 1337 CA VAL B 32 93.681 -11.819 29.787 1.00 0.00 C ATOM 1338 C VAL B 32 93.709 -12.655 31.067 1.00 0.00 C ATOM 1339 O VAL B 32 92.825 -13.444 31.327 1.00 0.00 O ATOM 1340 CB VAL B 32 94.690 -12.375 28.777 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.483 -13.888 28.614 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.491 -11.677 27.425 1.00 0.00 C ATOM 0 H VAL B 32 94.921 -10.080 29.754 1.00 0.00 H new ATOM 0 HA VAL B 32 92.682 -11.862 29.353 1.00 0.00 H new ATOM 0 HB VAL B 32 95.702 -12.191 29.137 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.203 -14.278 27.895 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.627 -14.381 29.576 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.472 -14.080 28.256 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.207 -12.070 26.704 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.478 -11.860 27.067 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.646 -10.605 27.543 1.00 0.00 H new ATOM 1352 N ALA B 33 94.726 -12.488 31.866 1.00 0.00 N ATOM 1353 CA ALA B 33 94.820 -13.274 33.128 1.00 0.00 C ATOM 1354 C ALA B 33 93.675 -12.894 34.075 1.00 0.00 C ATOM 1355 O ALA B 33 93.094 -13.741 34.723 1.00 0.00 O ATOM 1356 CB ALA B 33 96.161 -12.990 33.805 1.00 0.00 C ATOM 0 H ALA B 33 95.497 -11.841 31.699 1.00 0.00 H new ATOM 0 HA ALA B 33 94.745 -14.336 32.893 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.231 -13.564 34.729 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.974 -13.276 33.137 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.236 -11.927 34.033 1.00 0.00 H new ATOM 1362 N LYS B 34 93.340 -11.633 34.164 1.00 0.00 N ATOM 1363 CA LYS B 34 92.228 -11.233 35.072 1.00 0.00 C ATOM 1364 C LYS B 34 90.918 -11.858 34.582 1.00 0.00 C ATOM 1365 O LYS B 34 90.103 -12.304 35.367 1.00 0.00 O ATOM 1366 CB LYS B 34 92.119 -9.699 35.117 1.00 0.00 C ATOM 1367 CG LYS B 34 93.330 -9.105 35.871 1.00 0.00 C ATOM 1368 CD LYS B 34 93.094 -9.144 37.390 1.00 0.00 C ATOM 1369 CE LYS B 34 94.237 -8.410 38.099 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.879 -8.194 39.528 1.00 0.00 N ATOM 0 H LYS B 34 93.784 -10.871 33.652 1.00 0.00 H new ATOM 0 HA LYS B 34 92.430 -11.593 36.081 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.079 -9.299 34.104 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.193 -9.406 35.612 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.231 -9.666 35.623 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.497 -8.077 35.550 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.140 -8.677 37.633 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.040 -10.177 37.735 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.156 -8.991 38.027 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.426 -7.453 37.612 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.655 -7.696 40.009 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.012 -7.622 39.586 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.719 -9.113 39.989 1.00 0.00 H new ATOM 1384 N GLU B 35 90.701 -11.889 33.295 1.00 0.00 N ATOM 1385 CA GLU B 35 89.438 -12.482 32.765 1.00 0.00 C ATOM 1386 C GLU B 35 89.331 -13.954 33.185 1.00 0.00 C ATOM 1387 O GLU B 35 88.277 -14.419 33.571 1.00 0.00 O ATOM 1388 CB GLU B 35 89.431 -12.374 31.237 1.00 0.00 C ATOM 1389 CG GLU B 35 88.048 -12.750 30.693 1.00 0.00 C ATOM 1390 CD GLU B 35 87.873 -14.270 30.708 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.869 -14.966 30.607 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.741 -14.711 30.815 1.00 0.00 O ATOM 0 H GLU B 35 91.342 -11.530 32.588 1.00 0.00 H new ATOM 0 HA GLU B 35 88.585 -11.939 33.172 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.686 -11.358 30.934 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.189 -13.033 30.814 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.271 -12.281 31.297 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.933 -12.373 29.677 1.00 0.00 H new ATOM 1399 N ILE B 36 90.412 -14.691 33.118 1.00 0.00 N ATOM 1400 CA ILE B 36 90.358 -16.128 33.529 1.00 0.00 C ATOM 1401 C ILE B 36 89.956 -16.200 35.001 1.00 0.00 C ATOM 1402 O ILE B 36 89.160 -17.028 35.403 1.00 0.00 O ATOM 1403 CB ILE B 36 91.733 -16.779 33.327 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.014 -16.916 31.829 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.758 -18.166 33.980 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.495 -17.220 31.608 1.00 0.00 C ATOM 0 H ILE B 36 91.323 -14.363 32.799 1.00 0.00 H new ATOM 0 HA ILE B 36 89.628 -16.662 32.921 1.00 0.00 H new ATOM 0 HB ILE B 36 92.497 -16.154 33.789 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.402 -17.713 31.406 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.741 -15.996 31.312 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.738 -18.620 33.832 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.561 -18.069 35.048 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.993 -18.796 33.526 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.691 -17.317 30.540 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.098 -16.408 32.016 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.754 -18.152 32.110 1.00 0.00 H new ATOM 1418 N VAL B 37 90.480 -15.315 35.798 1.00 0.00 N ATOM 1419 CA VAL B 37 90.117 -15.299 37.239 1.00 0.00 C ATOM 1420 C VAL B 37 88.616 -15.049 37.355 1.00 0.00 C ATOM 1421 O VAL B 37 87.937 -15.639 38.170 1.00 0.00 O ATOM 1422 CB VAL B 37 90.895 -14.179 37.940 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.355 -13.976 39.363 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.377 -14.560 37.997 1.00 0.00 C ATOM 0 H VAL B 37 91.147 -14.599 35.512 1.00 0.00 H new ATOM 0 HA VAL B 37 90.367 -16.250 37.709 1.00 0.00 H new ATOM 0 HB VAL B 37 90.776 -13.249 37.384 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.913 -13.179 39.854 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.300 -13.705 39.317 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.468 -14.900 39.930 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.937 -13.768 38.494 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.492 -15.490 38.553 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.758 -14.693 36.984 1.00 0.00 H new ATOM 1434 N ALA B 38 88.101 -14.181 36.534 1.00 0.00 N ATOM 1435 CA ALA B 38 86.645 -13.878 36.569 1.00 0.00 C ATOM 1436 C ALA B 38 85.845 -15.103 36.112 1.00 0.00 C ATOM 1437 O ALA B 38 84.766 -15.369 36.603 1.00 0.00 O ATOM 1438 CB ALA B 38 86.348 -12.713 35.625 1.00 0.00 C ATOM 0 H ALA B 38 88.631 -13.663 35.833 1.00 0.00 H new ATOM 0 HA ALA B 38 86.360 -13.617 37.588 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.282 -12.489 35.648 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.911 -11.835 35.942 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.640 -12.984 34.610 1.00 0.00 H new ATOM 1444 N SER B 39 86.350 -15.836 35.154 1.00 0.00 N ATOM 1445 CA SER B 39 85.598 -17.024 34.649 1.00 0.00 C ATOM 1446 C SER B 39 85.622 -18.150 35.684 1.00 0.00 C ATOM 1447 O SER B 39 84.634 -18.824 35.899 1.00 0.00 O ATOM 1448 CB SER B 39 86.237 -17.516 33.349 1.00 0.00 C ATOM 1449 OG SER B 39 86.052 -16.536 32.337 1.00 0.00 O ATOM 0 H SER B 39 87.247 -15.665 34.701 1.00 0.00 H new ATOM 0 HA SER B 39 84.563 -16.734 34.467 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.300 -17.703 33.501 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.787 -18.461 33.044 1.00 0.00 H new ATOM 0 HG SER B 39 86.923 -16.176 32.067 1.00 0.00 H new ATOM 1455 N CYS B 40 86.729 -18.365 36.336 1.00 0.00 N ATOM 1456 CA CYS B 40 86.774 -19.451 37.355 1.00 0.00 C ATOM 1457 C CYS B 40 86.020 -18.976 38.597 1.00 0.00 C ATOM 1458 O CYS B 40 86.423 -18.040 39.260 1.00 0.00 O ATOM 1459 CB CYS B 40 88.228 -19.779 37.707 1.00 0.00 C ATOM 1460 SG CYS B 40 88.297 -21.355 38.600 1.00 0.00 S ATOM 0 H CYS B 40 87.596 -17.843 36.211 1.00 0.00 H new ATOM 0 HA CYS B 40 86.308 -20.355 36.963 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.828 -19.837 36.799 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.653 -18.984 38.319 1.00 0.00 H new ATOM 1465 N ASP B 41 84.915 -19.598 38.901 1.00 0.00 N ATOM 1466 CA ASP B 41 84.110 -19.172 40.081 1.00 0.00 C ATOM 1467 C ASP B 41 84.941 -19.290 41.359 1.00 0.00 C ATOM 1468 O ASP B 41 84.881 -18.444 42.229 1.00 0.00 O ATOM 1469 CB ASP B 41 82.862 -20.052 40.192 1.00 0.00 C ATOM 1470 CG ASP B 41 81.916 -19.730 39.032 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.163 -18.747 38.353 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.971 -20.474 38.841 1.00 0.00 O ATOM 0 H ASP B 41 84.533 -20.387 38.380 1.00 0.00 H new ATOM 0 HA ASP B 41 83.812 -18.132 39.951 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.141 -21.105 40.168 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.362 -19.877 41.145 1.00 0.00 H new ATOM 1477 N LYS B 42 85.717 -20.329 41.488 1.00 0.00 N ATOM 1478 CA LYS B 42 86.541 -20.479 42.723 1.00 0.00 C ATOM 1479 C LYS B 42 87.489 -19.284 42.845 1.00 0.00 C ATOM 1480 O LYS B 42 87.708 -18.760 43.918 1.00 0.00 O ATOM 1481 CB LYS B 42 87.352 -21.775 42.641 1.00 0.00 C ATOM 1482 CG LYS B 42 86.399 -22.972 42.773 1.00 0.00 C ATOM 1483 CD LYS B 42 87.166 -24.295 42.592 1.00 0.00 C ATOM 1484 CE LYS B 42 87.277 -24.646 41.102 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.959 -25.142 40.609 1.00 0.00 N ATOM 0 H LYS B 42 85.817 -21.075 40.800 1.00 0.00 H new ATOM 0 HA LYS B 42 85.890 -20.517 43.597 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.888 -21.824 41.693 1.00 0.00 H new ATOM 0 HB3 LYS B 42 88.101 -21.801 43.433 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.918 -22.955 43.751 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.608 -22.898 42.027 1.00 0.00 H new ATOM 0 HD2 LYS B 42 88.161 -24.209 43.028 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.653 -25.096 43.124 1.00 0.00 H new ATOM 0 HE2 LYS B 42 87.584 -23.769 40.533 1.00 0.00 H new ATOM 0 HE3 LYS B 42 88.043 -25.407 40.953 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 86.098 -25.686 39.734 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.526 -25.752 41.331 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.333 -24.334 40.418 1.00 0.00 H new ATOM 1499 N CYS B 43 88.049 -18.842 41.752 1.00 0.00 N ATOM 1500 CA CYS B 43 88.975 -17.676 41.814 1.00 0.00 C ATOM 1501 C CYS B 43 88.174 -16.372 41.894 1.00 0.00 C ATOM 1502 O CYS B 43 88.561 -15.436 42.562 1.00 0.00 O ATOM 1503 CB CYS B 43 89.851 -17.637 40.562 1.00 0.00 C ATOM 1504 SG CYS B 43 90.500 -19.286 40.222 1.00 0.00 S ATOM 0 H CYS B 43 87.906 -19.236 40.822 1.00 0.00 H new ATOM 0 HA CYS B 43 89.601 -17.779 42.700 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.270 -17.282 39.711 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.672 -16.934 40.703 1.00 0.00 H new ATOM 1509 N GLN B 44 87.078 -16.290 41.184 1.00 0.00 N ATOM 1510 CA GLN B 44 86.275 -15.029 41.181 1.00 0.00 C ATOM 1511 C GLN B 44 85.640 -14.770 42.551 1.00 0.00 C ATOM 1512 O GLN B 44 85.895 -13.759 43.175 1.00 0.00 O ATOM 1513 CB GLN B 44 85.173 -15.154 40.132 1.00 0.00 C ATOM 1514 CG GLN B 44 84.421 -13.827 40.004 1.00 0.00 C ATOM 1515 CD GLN B 44 83.431 -13.920 38.839 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.707 -13.318 37.715 1.00 0.00 O flip ATOM 1517 NE2 GLN B 44 82.398 -14.552 38.952 1.00 0.00 N flip ATOM 0 H GLN B 44 86.704 -17.042 40.606 1.00 0.00 H new ATOM 0 HA GLN B 44 86.937 -14.194 40.950 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.604 -15.431 39.170 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.481 -15.948 40.412 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.891 -13.605 40.930 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.124 -13.011 39.835 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.182 -15.023 39.831 1.00 0.00 H new ATOM 0 HE22 GLN B 44 81.748 -14.611 38.168 1.00 0.00 H new ATOM 1526 N LEU B 45 84.819 -15.665 43.030 1.00 0.00 N ATOM 1527 CA LEU B 45 84.190 -15.439 44.367 1.00 0.00 C ATOM 1528 C LEU B 45 85.181 -15.840 45.461 1.00 0.00 C ATOM 1529 O LEU B 45 85.149 -16.944 45.967 1.00 0.00 O ATOM 1530 CB LEU B 45 82.926 -16.286 44.510 1.00 0.00 C ATOM 1531 CG LEU B 45 81.887 -15.911 43.438 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.644 -16.796 43.617 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.486 -14.427 43.583 1.00 0.00 C ATOM 0 H LEU B 45 84.558 -16.533 42.562 1.00 0.00 H new ATOM 0 HA LEU B 45 83.927 -14.385 44.460 1.00 0.00 H new ATOM 0 HB2 LEU B 45 83.180 -17.342 44.422 1.00 0.00 H new ATOM 0 HB3 LEU B 45 82.498 -16.143 45.502 1.00 0.00 H new ATOM 0 HG LEU B 45 82.317 -16.065 42.448 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.902 -16.538 42.862 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.924 -17.844 43.507 1.00 0.00 H new ATOM 0 HD13 LEU B 45 80.223 -16.635 44.609 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.751 -14.173 42.820 1.00 0.00 H new ATOM 0 HD22 LEU B 45 81.056 -14.261 44.571 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.368 -13.798 43.461 1.00 0.00 H new ATOM 1545 N LYS B 46 86.061 -14.954 45.829 1.00 0.00 N ATOM 1546 CA LYS B 46 87.067 -15.266 46.895 1.00 0.00 C ATOM 1547 C LYS B 46 86.575 -14.747 48.251 1.00 0.00 C ATOM 1548 O LYS B 46 86.995 -15.209 49.295 1.00 0.00 O ATOM 1549 CB LYS B 46 88.396 -14.587 46.530 1.00 0.00 C ATOM 1550 CG LYS B 46 89.475 -14.871 47.591 1.00 0.00 C ATOM 1551 CD LYS B 46 89.774 -16.376 47.678 1.00 0.00 C ATOM 1552 CE LYS B 46 91.137 -16.590 48.344 1.00 0.00 C ATOM 1553 NZ LYS B 46 91.407 -18.051 48.459 1.00 0.00 N ATOM 0 H LYS B 46 86.132 -14.015 45.436 1.00 0.00 H new ATOM 0 HA LYS B 46 87.206 -16.345 46.965 1.00 0.00 H new ATOM 0 HB2 LYS B 46 88.735 -14.944 45.558 1.00 0.00 H new ATOM 0 HB3 LYS B 46 88.245 -13.511 46.439 1.00 0.00 H new ATOM 0 HG2 LYS B 46 90.387 -14.328 47.342 1.00 0.00 H new ATOM 0 HG3 LYS B 46 89.141 -14.505 48.562 1.00 0.00 H new ATOM 0 HD2 LYS B 46 88.995 -16.880 48.250 1.00 0.00 H new ATOM 0 HD3 LYS B 46 89.772 -16.816 46.681 1.00 0.00 H new ATOM 0 HE2 LYS B 46 91.920 -16.109 47.758 1.00 0.00 H new ATOM 0 HE3 LYS B 46 91.148 -16.128 49.331 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 92.332 -18.199 48.911 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 90.665 -18.497 49.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 91.413 -18.479 47.511 1.00 0.00 H new ATOM 1567 N GLY B 47 85.694 -13.784 48.246 1.00 0.00 N ATOM 1568 CA GLY B 47 85.185 -13.227 49.532 1.00 0.00 C ATOM 1569 C GLY B 47 84.071 -14.108 50.078 1.00 0.00 C ATOM 1570 O GLY B 47 83.660 -15.067 49.456 1.00 0.00 O ATOM 0 H GLY B 47 85.304 -13.358 47.405 1.00 0.00 H new ATOM 0 HA2 GLY B 47 85.997 -13.163 50.256 1.00 0.00 H new ATOM 0 HA3 GLY B 47 84.815 -12.213 49.377 1.00 0.00 H new ATOM 1574 N GLU B 48 83.576 -13.786 51.245 1.00 0.00 N ATOM 1575 CA GLU B 48 82.479 -14.600 51.849 1.00 0.00 C ATOM 1576 C GLU B 48 81.141 -14.086 51.315 1.00 0.00 C ATOM 1577 O GLU B 48 80.831 -12.916 51.416 1.00 0.00 O ATOM 1578 CB GLU B 48 82.516 -14.453 53.380 1.00 0.00 C ATOM 1579 CG GLU B 48 81.423 -15.321 54.022 1.00 0.00 C ATOM 1580 CD GLU B 48 81.709 -16.796 53.744 1.00 0.00 C ATOM 1581 OE1 GLU B 48 82.847 -17.110 53.440 1.00 0.00 O ATOM 1582 OE2 GLU B 48 80.783 -17.583 53.834 1.00 0.00 O ATOM 0 H GLU B 48 83.885 -12.993 51.807 1.00 0.00 H new ATOM 0 HA GLU B 48 82.604 -15.651 51.589 1.00 0.00 H new ATOM 0 HB2 GLU B 48 83.495 -14.749 53.758 1.00 0.00 H new ATOM 0 HB3 GLU B 48 82.370 -13.409 53.656 1.00 0.00 H new ATOM 0 HG2 GLU B 48 81.388 -15.143 55.097 1.00 0.00 H new ATOM 0 HG3 GLU B 48 80.446 -15.048 53.622 1.00 0.00 H new ATOM 1589 N ALA B 49 80.345 -14.947 50.745 1.00 0.00 N ATOM 1590 CA ALA B 49 79.025 -14.506 50.203 1.00 0.00 C ATOM 1591 C ALA B 49 77.956 -14.629 51.289 1.00 0.00 C ATOM 1592 O ALA B 49 77.483 -13.649 51.829 1.00 0.00 O ATOM 1593 CB ALA B 49 78.645 -15.379 49.005 1.00 0.00 C ATOM 0 H ALA B 49 80.550 -15.940 50.630 1.00 0.00 H new ATOM 0 HA ALA B 49 79.095 -13.466 49.884 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.682 -15.056 48.611 1.00 0.00 H new ATOM 0 HB2 ALA B 49 79.405 -15.283 48.230 1.00 0.00 H new ATOM 0 HB3 ALA B 49 78.577 -16.420 49.320 1.00 0.00 H new ATOM 1599 N MET B 50 77.569 -15.833 51.604 1.00 0.00 N ATOM 1600 CA MET B 50 76.526 -16.043 52.646 1.00 0.00 C ATOM 1601 C MET B 50 77.016 -15.482 53.984 1.00 0.00 C ATOM 1602 O MET B 50 78.177 -15.589 54.326 1.00 0.00 O ATOM 1603 CB MET B 50 76.245 -17.538 52.798 1.00 0.00 C ATOM 1604 CG MET B 50 77.517 -18.257 53.251 1.00 0.00 C ATOM 1605 SD MET B 50 77.240 -20.046 53.226 1.00 0.00 S ATOM 1606 CE MET B 50 78.877 -20.533 53.825 1.00 0.00 C ATOM 0 H MET B 50 77.933 -16.687 51.181 1.00 0.00 H new ATOM 0 HA MET B 50 75.612 -15.529 52.347 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.448 -17.696 53.524 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.900 -17.951 51.850 1.00 0.00 H new ATOM 0 HG2 MET B 50 78.348 -17.998 52.595 1.00 0.00 H new ATOM 0 HG3 MET B 50 77.792 -17.935 54.255 1.00 0.00 H new ATOM 0 HE1 MET B 50 78.933 -21.620 53.889 1.00 0.00 H new ATOM 0 HE2 MET B 50 79.639 -20.171 53.135 1.00 0.00 H new ATOM 0 HE3 MET B 50 79.046 -20.102 54.812 1.00 0.00 H new ATOM 1616 N HIS B 51 76.132 -14.883 54.735 1.00 0.00 N ATOM 1617 CA HIS B 51 76.520 -14.304 56.053 1.00 0.00 C ATOM 1618 C HIS B 51 77.578 -13.218 55.844 1.00 0.00 C ATOM 1619 O HIS B 51 77.724 -12.684 54.763 1.00 0.00 O ATOM 1620 CB HIS B 51 77.080 -15.404 56.967 1.00 0.00 C ATOM 1621 CG HIS B 51 77.081 -14.913 58.389 1.00 0.00 C ATOM 1622 ND1 HIS B 51 78.062 -14.876 59.348 1.00 0.00 N flip ATOM 1623 CD2 HIS B 51 75.955 -14.353 58.975 1.00 0.00 C flip ATOM 1624 CE1 HIS B 51 77.554 -14.300 60.506 1.00 0.00 C flip ATOM 1625 NE2 HIS B 51 76.283 -14.003 60.230 1.00 0.00 N flip ATOM 0 H HIS B 51 75.149 -14.769 54.489 1.00 0.00 H new ATOM 0 HA HIS B 51 75.639 -13.867 56.524 1.00 0.00 H new ATOM 0 HB2 HIS B 51 76.475 -16.307 56.882 1.00 0.00 H new ATOM 0 HB3 HIS B 51 78.092 -15.668 56.660 1.00 0.00 H new ATOM 0 HD2 HIS B 51 74.990 -14.222 58.507 1.00 0.00 H new ATOM 0 HE1 HIS B 51 78.078 -14.129 61.435 1.00 0.00 H new ATOM 0 HE2 HIS B 51 75.640 -13.565 60.890 1.00 0.00 H new ATOM 1633 N GLY B 52 78.317 -12.886 56.871 1.00 0.00 N ATOM 1634 CA GLY B 52 79.363 -11.831 56.736 1.00 0.00 C ATOM 1635 C GLY B 52 78.759 -10.474 57.102 1.00 0.00 C ATOM 1636 O GLY B 52 78.654 -9.594 56.275 1.00 0.00 O ATOM 0 H GLY B 52 78.240 -13.302 57.799 1.00 0.00 H new ATOM 0 HA2 GLY B 52 80.208 -12.054 57.388 1.00 0.00 H new ATOM 0 HA3 GLY B 52 79.745 -11.809 55.715 1.00 0.00 H new ATOM 1640 N GLN B 53 78.351 -10.309 58.335 1.00 0.00 N ATOM 1641 CA GLN B 53 77.740 -9.015 58.768 1.00 0.00 C ATOM 1642 C GLN B 53 76.428 -8.793 58.015 1.00 0.00 C ATOM 1643 O GLN B 53 76.310 -7.911 57.189 1.00 0.00 O ATOM 1644 CB GLN B 53 78.711 -7.860 58.486 1.00 0.00 C ATOM 1645 CG GLN B 53 78.300 -6.623 59.289 1.00 0.00 C ATOM 1646 CD GLN B 53 78.551 -6.858 60.777 1.00 0.00 C ATOM 1647 OE1 GLN B 53 79.681 -6.978 61.206 1.00 0.00 O ATOM 1648 NE2 GLN B 53 77.533 -6.917 61.591 1.00 0.00 N ATOM 0 H GLN B 53 78.415 -11.019 59.064 1.00 0.00 H new ATOM 0 HA GLN B 53 77.537 -9.051 59.838 1.00 0.00 H new ATOM 0 HB2 GLN B 53 79.726 -8.155 58.751 1.00 0.00 H new ATOM 0 HB3 GLN B 53 78.714 -7.628 57.421 1.00 0.00 H new ATOM 0 HG2 GLN B 53 78.865 -5.755 58.949 1.00 0.00 H new ATOM 0 HG3 GLN B 53 77.246 -6.403 59.120 1.00 0.00 H new ATOM 0 HE21 GLN B 53 76.585 -6.816 61.230 1.00 0.00 H new ATOM 0 HE22 GLN B 53 77.686 -7.064 62.589 1.00 0.00 H new ATOM 1657 N VAL B 54 75.437 -9.598 58.299 1.00 0.00 N ATOM 1658 CA VAL B 54 74.119 -9.456 57.606 1.00 0.00 C ATOM 1659 C VAL B 54 73.189 -8.574 58.442 1.00 0.00 C ATOM 1660 O VAL B 54 73.096 -8.715 59.644 1.00 0.00 O ATOM 1661 CB VAL B 54 73.484 -10.841 57.446 1.00 0.00 C ATOM 1662 CG1 VAL B 54 73.283 -11.473 58.829 1.00 0.00 C ATOM 1663 CG2 VAL B 54 72.127 -10.708 56.746 1.00 0.00 C ATOM 0 H VAL B 54 75.483 -10.352 58.985 1.00 0.00 H new ATOM 0 HA VAL B 54 74.271 -8.999 56.628 1.00 0.00 H new ATOM 0 HB VAL B 54 74.140 -11.472 56.847 1.00 0.00 H new ATOM 0 HG11 VAL B 54 72.831 -12.459 58.716 1.00 0.00 H new ATOM 0 HG12 VAL B 54 74.247 -11.571 59.328 1.00 0.00 H new ATOM 0 HG13 VAL B 54 72.628 -10.840 59.427 1.00 0.00 H new ATOM 0 HG21 VAL B 54 71.677 -11.695 56.633 1.00 0.00 H new ATOM 0 HG22 VAL B 54 71.470 -10.076 57.343 1.00 0.00 H new ATOM 0 HG23 VAL B 54 72.267 -10.259 55.763 1.00 0.00 H new ATOM 1673 N ASP B 55 72.498 -7.661 57.808 1.00 0.00 N ATOM 1674 CA ASP B 55 71.571 -6.759 58.545 1.00 0.00 C ATOM 1675 C ASP B 55 70.379 -6.418 57.637 1.00 0.00 C ATOM 1676 O ASP B 55 70.613 -5.958 56.532 1.00 0.00 O ATOM 1677 CB ASP B 55 72.325 -5.473 58.916 1.00 0.00 C ATOM 1678 CG ASP B 55 73.089 -5.668 60.230 1.00 0.00 C ATOM 1679 OD1 ASP B 55 72.507 -6.205 61.158 1.00 0.00 O ATOM 1680 OD2 ASP B 55 74.245 -5.277 60.286 1.00 0.00 O ATOM 1681 OXT ASP B 55 69.254 -6.626 58.063 1.00 0.00 O ATOM 0 H ASP B 55 72.539 -7.503 56.801 1.00 0.00 H new ATOM 0 HA ASP B 55 71.209 -7.245 59.451 1.00 0.00 H new ATOM 0 HB2 ASP B 55 73.019 -5.207 58.119 1.00 0.00 H new ATOM 0 HB3 ASP B 55 71.622 -4.646 59.015 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.326 -1.502 35.876 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.385 -21.349 39.579 1.00 0.00 ZN