USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -5.44! C(o=-8.4!,f=-8.1!) USER MOD Set 1.2: B 44 GLN : amide:sc= -2.92! X(o=-8.4!,f=-7.9) USER MOD Single : A 1 PHE N :NH3+ 156:sc= 0.761 (180deg=0.241) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0217 K(o=-0.022,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -23:sc= 1.23 USER MOD Single : A 16 HIS : no HD1:sc= -2.06 X(o=-2.1,f=-2.1) USER MOD Single : A 17 SER OG : rot -11:sc= 0.688 USER MOD Single : A 18 ASN : amide:sc= -0.0366 K(o=-0.037,f=-2!) USER MOD Single : A 22 MET CE :methyl -156:sc= -0.147 (180deg=-1.28) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 75:sc= 0.0405 USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= -0.0272 (180deg=-0.444) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.0243 (180deg=-0.328) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.742 K(o=-0.74,f=-2!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 1 PHE N :NH3+ 141:sc= 0.793 (180deg=0.243) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc=-0.00706 K(o=-0.0071,f=-1.2) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -23:sc= 1.2 USER MOD Single : B 16 HIS : no HD1:sc= -2.03 X(o=-2,f=-2.1) USER MOD Single : B 17 SER OG : rot -10:sc= 0.713 USER MOD Single : B 18 ASN : amide:sc= -0.0398 K(o=-0.04,f=-1.8!) USER MOD Single : B 22 MET CE :methyl -159:sc= -0.108 (180deg=-1.24) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 75:sc= 0.0431 USER MOD Single : B 42 LYS NZ :NH3+ -161:sc= -0.0424 (180deg=-0.48) USER MOD Single : B 46 LYS NZ :NH3+ -162:sc= -0.0311 (180deg=-0.37) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -0.766 K(o=-0.77,f=-2!) USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.336 -4.375 24.242 1.00 0.00 N ATOM 2 CA PHE A 1 95.099 -3.632 25.286 1.00 0.00 C ATOM 3 C PHE A 1 95.151 -2.153 24.915 1.00 0.00 C ATOM 4 O PHE A 1 96.204 -1.583 24.712 1.00 0.00 O ATOM 5 CB PHE A 1 96.518 -4.178 25.358 1.00 0.00 C ATOM 6 CG PHE A 1 96.481 -5.688 25.447 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.014 -6.313 26.610 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.912 -6.466 24.362 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.979 -7.711 26.686 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.875 -7.864 24.445 1.00 0.00 C ATOM 11 CZ PHE A 1 96.409 -8.485 25.606 1.00 0.00 C ATOM 0 H1 PHE A 1 94.624 -5.374 24.247 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.318 -4.307 24.442 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.533 -3.962 23.308 1.00 0.00 H new ATOM 0 HA PHE A 1 94.609 -3.753 26.252 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.081 -3.870 24.477 1.00 0.00 H new ATOM 0 HB3 PHE A 1 97.033 -3.766 26.226 1.00 0.00 H new ATOM 0 HD1 PHE A 1 95.681 -5.718 27.447 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.272 -5.987 23.463 1.00 0.00 H new ATOM 0 HE1 PHE A 1 95.618 -8.192 27.583 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.207 -8.463 23.610 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.381 -9.563 25.669 1.00 0.00 H new ATOM 23 N LEU A 2 94.011 -1.537 24.814 1.00 0.00 N ATOM 24 CA LEU A 2 93.947 -0.089 24.443 1.00 0.00 C ATOM 25 C LEU A 2 93.730 0.774 25.681 1.00 0.00 C ATOM 26 O LEU A 2 93.015 0.414 26.586 1.00 0.00 O ATOM 27 CB LEU A 2 92.798 0.132 23.452 1.00 0.00 C ATOM 28 CG LEU A 2 93.041 -0.690 22.177 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.829 -0.554 21.247 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.305 -0.185 21.453 1.00 0.00 C ATOM 0 H LEU A 2 93.105 -1.977 24.974 1.00 0.00 H new ATOM 0 HA LEU A 2 94.892 0.198 23.982 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.852 -0.159 23.908 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.719 1.190 23.203 1.00 0.00 H new ATOM 0 HG LEU A 2 93.182 -1.736 22.448 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.998 -1.136 20.341 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.938 -0.923 21.754 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.688 0.494 20.984 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.468 -0.775 20.551 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.175 0.863 21.183 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.167 -0.286 22.113 1.00 0.00 H new ATOM 42 N ASP A 3 94.345 1.925 25.715 1.00 0.00 N ATOM 43 CA ASP A 3 94.172 2.826 26.886 1.00 0.00 C ATOM 44 C ASP A 3 92.691 3.171 27.005 1.00 0.00 C ATOM 45 O ASP A 3 92.139 3.229 28.085 1.00 0.00 O ATOM 46 CB ASP A 3 94.985 4.108 26.685 1.00 0.00 C ATOM 47 CG ASP A 3 94.828 5.005 27.914 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.059 4.646 28.791 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.475 6.038 27.957 1.00 0.00 O ATOM 0 H ASP A 3 94.959 2.279 24.982 1.00 0.00 H new ATOM 0 HA ASP A 3 94.521 2.332 27.793 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.036 3.865 26.530 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.644 4.632 25.792 1.00 0.00 H new ATOM 54 N GLY A 4 92.037 3.385 25.892 1.00 0.00 N ATOM 55 CA GLY A 4 90.579 3.709 25.928 1.00 0.00 C ATOM 56 C GLY A 4 89.866 2.715 26.850 1.00 0.00 C ATOM 57 O GLY A 4 88.739 2.920 27.250 1.00 0.00 O ATOM 0 H GLY A 4 92.450 3.349 24.960 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.429 4.728 26.286 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.158 3.659 24.924 1.00 0.00 H new ATOM 61 N ILE A 5 90.530 1.650 27.210 1.00 0.00 N ATOM 62 CA ILE A 5 89.911 0.657 28.128 1.00 0.00 C ATOM 63 C ILE A 5 89.571 1.366 29.441 1.00 0.00 C ATOM 64 O ILE A 5 88.531 1.146 30.029 1.00 0.00 O ATOM 65 CB ILE A 5 90.893 -0.502 28.359 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.916 -1.393 27.114 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.467 -1.330 29.578 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.084 -2.379 27.210 1.00 0.00 C ATOM 0 H ILE A 5 91.477 1.426 26.906 1.00 0.00 H new ATOM 0 HA ILE A 5 88.998 0.244 27.699 1.00 0.00 H new ATOM 0 HB ILE A 5 91.888 -0.097 28.545 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.975 -1.936 27.025 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.016 -0.781 26.218 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.173 -2.147 29.728 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.455 -0.694 30.463 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.470 -1.738 29.410 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.099 -3.013 26.323 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.021 -1.827 27.278 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.964 -3.000 28.098 1.00 0.00 H new ATOM 80 N ASP A 6 90.435 2.232 29.890 1.00 0.00 N ATOM 81 CA ASP A 6 90.161 2.982 31.148 1.00 0.00 C ATOM 82 C ASP A 6 88.872 3.789 30.964 1.00 0.00 C ATOM 83 O ASP A 6 88.055 3.895 31.858 1.00 0.00 O ATOM 84 CB ASP A 6 91.326 3.936 31.433 1.00 0.00 C ATOM 85 CG ASP A 6 91.055 4.711 32.723 1.00 0.00 C ATOM 86 OD1 ASP A 6 89.950 4.611 33.232 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.955 5.398 33.177 1.00 0.00 O ATOM 0 H ASP A 6 91.322 2.454 29.439 1.00 0.00 H new ATOM 0 HA ASP A 6 90.051 2.289 31.983 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.255 3.373 31.524 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.453 4.629 30.601 1.00 0.00 H new ATOM 92 N LYS A 7 88.693 4.363 29.804 1.00 0.00 N ATOM 93 CA LYS A 7 87.468 5.174 29.535 1.00 0.00 C ATOM 94 C LYS A 7 86.227 4.280 29.626 1.00 0.00 C ATOM 95 O LYS A 7 85.201 4.680 30.137 1.00 0.00 O ATOM 96 CB LYS A 7 87.567 5.778 28.129 1.00 0.00 C ATOM 97 CG LYS A 7 86.330 6.637 27.834 1.00 0.00 C ATOM 98 CD LYS A 7 86.427 7.231 26.422 1.00 0.00 C ATOM 99 CE LYS A 7 87.654 8.147 26.306 1.00 0.00 C ATOM 100 NZ LYS A 7 87.438 9.121 25.198 1.00 0.00 N ATOM 0 H LYS A 7 89.348 4.305 29.024 1.00 0.00 H new ATOM 0 HA LYS A 7 87.387 5.972 30.273 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.468 6.386 28.049 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.652 4.983 27.389 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.428 6.032 27.921 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.249 7.438 28.569 1.00 0.00 H new ATOM 0 HD2 LYS A 7 86.494 6.428 25.688 1.00 0.00 H new ATOM 0 HD3 LYS A 7 85.522 7.795 26.196 1.00 0.00 H new ATOM 0 HE2 LYS A 7 87.817 8.677 27.245 1.00 0.00 H new ATOM 0 HE3 LYS A 7 88.548 7.554 26.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 88.267 9.743 25.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 87.302 8.606 24.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.594 9.694 25.399 1.00 0.00 H new ATOM 114 N ALA A 8 86.308 3.078 29.126 1.00 0.00 N ATOM 115 CA ALA A 8 85.126 2.172 29.180 1.00 0.00 C ATOM 116 C ALA A 8 84.702 1.963 30.637 1.00 0.00 C ATOM 117 O ALA A 8 83.532 1.835 30.935 1.00 0.00 O ATOM 118 CB ALA A 8 85.487 0.824 28.550 1.00 0.00 C ATOM 0 H ALA A 8 87.139 2.685 28.684 1.00 0.00 H new ATOM 0 HA ALA A 8 84.301 2.621 28.627 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.623 0.161 28.589 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.782 0.975 27.511 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.314 0.375 29.100 1.00 0.00 H new ATOM 124 N GLN A 9 85.638 1.925 31.547 1.00 0.00 N ATOM 125 CA GLN A 9 85.271 1.721 32.979 1.00 0.00 C ATOM 126 C GLN A 9 84.360 2.854 33.465 1.00 0.00 C ATOM 127 O GLN A 9 83.402 2.631 34.178 1.00 0.00 O ATOM 128 CB GLN A 9 86.541 1.700 33.833 1.00 0.00 C ATOM 129 CG GLN A 9 87.322 0.418 33.553 1.00 0.00 C ATOM 130 CD GLN A 9 88.677 0.477 34.257 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.286 1.525 34.341 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.174 -0.613 34.774 1.00 0.00 N ATOM 0 H GLN A 9 86.636 2.026 31.363 1.00 0.00 H new ATOM 0 HA GLN A 9 84.742 0.773 33.072 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.157 2.570 33.608 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.282 1.757 34.890 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.757 -0.447 33.902 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.464 0.294 32.479 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.661 -1.492 34.702 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.076 -0.587 35.250 1.00 0.00 H new ATOM 141 N GLU A 10 84.658 4.066 33.095 1.00 0.00 N ATOM 142 CA GLU A 10 83.822 5.216 33.543 1.00 0.00 C ATOM 143 C GLU A 10 82.391 5.062 33.020 1.00 0.00 C ATOM 144 O GLU A 10 81.433 5.366 33.703 1.00 0.00 O ATOM 145 CB GLU A 10 84.427 6.516 33.010 1.00 0.00 C ATOM 146 CG GLU A 10 85.748 6.790 33.732 1.00 0.00 C ATOM 147 CD GLU A 10 86.362 8.089 33.206 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.810 8.647 32.272 1.00 0.00 O ATOM 149 OE2 GLU A 10 87.377 8.501 33.744 1.00 0.00 O ATOM 0 H GLU A 10 85.448 4.313 32.499 1.00 0.00 H new ATOM 0 HA GLU A 10 83.798 5.240 34.632 1.00 0.00 H new ATOM 0 HB2 GLU A 10 84.595 6.439 31.936 1.00 0.00 H new ATOM 0 HB3 GLU A 10 83.735 7.344 33.166 1.00 0.00 H new ATOM 0 HG2 GLU A 10 85.578 6.865 34.806 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.438 5.961 33.576 1.00 0.00 H new ATOM 156 N GLU A 11 82.242 4.614 31.802 1.00 0.00 N ATOM 157 CA GLU A 11 80.878 4.460 31.208 1.00 0.00 C ATOM 158 C GLU A 11 80.380 3.020 31.378 1.00 0.00 C ATOM 159 O GLU A 11 79.354 2.649 30.845 1.00 0.00 O ATOM 160 CB GLU A 11 80.945 4.792 29.716 1.00 0.00 C ATOM 161 CG GLU A 11 81.233 6.284 29.536 1.00 0.00 C ATOM 162 CD GLU A 11 81.299 6.613 28.044 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.297 5.684 27.253 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.347 7.787 27.717 1.00 0.00 O ATOM 0 H GLU A 11 83.011 4.346 31.187 1.00 0.00 H new ATOM 0 HA GLU A 11 80.190 5.135 31.717 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.724 4.200 29.236 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.003 4.532 29.232 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.454 6.876 30.016 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.175 6.545 30.019 1.00 0.00 H new ATOM 171 N CYS A 12 81.086 2.205 32.112 1.00 0.00 N ATOM 172 CA CYS A 12 80.627 0.797 32.300 1.00 0.00 C ATOM 173 C CYS A 12 79.160 0.795 32.738 1.00 0.00 C ATOM 174 O CYS A 12 78.352 0.036 32.243 1.00 0.00 O ATOM 175 CB CYS A 12 81.477 0.118 33.375 1.00 0.00 C ATOM 176 SG CYS A 12 80.963 -1.609 33.548 1.00 0.00 S ATOM 0 H CYS A 12 81.955 2.449 32.587 1.00 0.00 H new ATOM 0 HA CYS A 12 80.730 0.255 31.360 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.532 0.169 33.106 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.365 0.639 34.326 1.00 0.00 H new ATOM 181 N GLU A 13 78.815 1.644 33.666 1.00 0.00 N ATOM 182 CA GLU A 13 77.405 1.703 34.147 1.00 0.00 C ATOM 183 C GLU A 13 76.479 2.046 32.978 1.00 0.00 C ATOM 184 O GLU A 13 75.373 1.553 32.880 1.00 0.00 O ATOM 185 CB GLU A 13 77.289 2.778 35.229 1.00 0.00 C ATOM 186 CG GLU A 13 78.018 2.307 36.489 1.00 0.00 C ATOM 187 CD GLU A 13 78.018 3.427 37.531 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.077 3.491 38.304 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.959 4.203 37.535 1.00 0.00 O ATOM 0 H GLU A 13 79.452 2.303 34.114 1.00 0.00 H new ATOM 0 HA GLU A 13 77.117 0.736 34.560 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.719 3.715 34.875 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.240 2.973 35.453 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.530 1.420 36.894 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.042 2.024 36.245 1.00 0.00 H new ATOM 196 N LYS A 14 76.922 2.900 32.098 1.00 0.00 N ATOM 197 CA LYS A 14 76.078 3.297 30.936 1.00 0.00 C ATOM 198 C LYS A 14 75.741 2.067 30.081 1.00 0.00 C ATOM 199 O LYS A 14 74.641 1.935 29.585 1.00 0.00 O ATOM 200 CB LYS A 14 76.831 4.327 30.092 1.00 0.00 C ATOM 201 CG LYS A 14 75.904 4.870 28.998 1.00 0.00 C ATOM 202 CD LYS A 14 76.600 6.000 28.220 1.00 0.00 C ATOM 203 CE LYS A 14 76.503 7.324 28.993 1.00 0.00 C ATOM 204 NZ LYS A 14 76.983 8.437 28.126 1.00 0.00 N ATOM 0 H LYS A 14 77.840 3.343 32.134 1.00 0.00 H new ATOM 0 HA LYS A 14 75.148 3.734 31.300 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.182 5.143 30.723 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.712 3.870 29.642 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.627 4.067 28.315 1.00 0.00 H new ATOM 0 HG3 LYS A 14 74.982 5.241 29.445 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.647 5.745 28.054 1.00 0.00 H new ATOM 0 HD3 LYS A 14 76.140 6.111 27.238 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.473 7.505 29.299 1.00 0.00 H new ATOM 0 HE3 LYS A 14 77.102 7.272 29.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 76.919 9.335 28.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 77.972 8.264 27.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 76.394 8.490 27.271 1.00 0.00 H new ATOM 218 N TYR A 15 76.676 1.170 29.896 1.00 0.00 N ATOM 219 CA TYR A 15 76.394 -0.039 29.060 1.00 0.00 C ATOM 220 C TYR A 15 75.720 -1.115 29.916 1.00 0.00 C ATOM 221 O TYR A 15 75.105 -2.029 29.405 1.00 0.00 O ATOM 222 CB TYR A 15 77.707 -0.587 28.498 1.00 0.00 C ATOM 223 CG TYR A 15 78.244 0.369 27.459 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.696 0.381 26.171 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.285 1.246 27.785 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.189 1.268 25.208 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.779 2.134 26.821 1.00 0.00 C ATOM 228 CZ TYR A 15 79.231 2.146 25.533 1.00 0.00 C ATOM 229 OH TYR A 15 79.718 3.022 24.584 1.00 0.00 O ATOM 0 H TYR A 15 77.618 1.220 30.285 1.00 0.00 H new ATOM 0 HA TYR A 15 75.731 0.238 28.240 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.434 -0.716 29.300 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.544 -1.569 28.055 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.892 -0.295 25.920 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.707 1.238 28.779 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.766 1.276 24.214 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.583 2.810 27.072 1.00 0.00 H new ATOM 0 HH TYR A 15 79.518 2.678 23.688 1.00 0.00 H new ATOM 239 N HIS A 16 75.820 -1.003 31.212 1.00 0.00 N ATOM 240 CA HIS A 16 75.172 -2.000 32.116 1.00 0.00 C ATOM 241 C HIS A 16 75.686 -3.416 31.820 1.00 0.00 C ATOM 242 O HIS A 16 76.872 -3.674 31.828 1.00 0.00 O ATOM 243 CB HIS A 16 73.652 -1.956 31.925 1.00 0.00 C ATOM 244 CG HIS A 16 73.170 -0.536 32.029 1.00 0.00 C ATOM 245 ND1 HIS A 16 72.915 0.241 30.908 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.886 0.260 33.111 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.496 1.446 31.337 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.461 1.508 32.669 1.00 0.00 N ATOM 0 H HIS A 16 76.327 -0.258 31.689 1.00 0.00 H new ATOM 0 HA HIS A 16 75.421 -1.747 33.147 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.386 -2.370 30.953 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.163 -2.573 32.679 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.978 -0.037 34.145 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.222 2.261 30.684 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.181 2.304 33.243 1.00 0.00 H new ATOM 257 N SER A 17 74.788 -4.339 31.581 1.00 0.00 N ATOM 258 CA SER A 17 75.192 -5.750 31.309 1.00 0.00 C ATOM 259 C SER A 17 75.490 -5.954 29.820 1.00 0.00 C ATOM 260 O SER A 17 75.892 -7.023 29.406 1.00 0.00 O ATOM 261 CB SER A 17 74.055 -6.684 31.726 1.00 0.00 C ATOM 262 OG SER A 17 74.409 -8.024 31.413 1.00 0.00 O ATOM 0 H SER A 17 73.782 -4.172 31.563 1.00 0.00 H new ATOM 0 HA SER A 17 76.095 -5.972 31.878 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.862 -6.587 32.794 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.135 -6.409 31.210 1.00 0.00 H new ATOM 0 HG SER A 17 75.210 -8.027 30.849 1.00 0.00 H new ATOM 268 N ASN A 18 75.293 -4.954 29.006 1.00 0.00 N ATOM 269 CA ASN A 18 75.567 -5.127 27.550 1.00 0.00 C ATOM 270 C ASN A 18 77.066 -4.995 27.288 1.00 0.00 C ATOM 271 O ASN A 18 77.527 -4.020 26.728 1.00 0.00 O ATOM 272 CB ASN A 18 74.818 -4.056 26.753 1.00 0.00 C ATOM 273 CG ASN A 18 73.318 -4.353 26.777 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.912 -5.469 27.036 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.473 -3.396 26.513 1.00 0.00 N ATOM 0 H ASN A 18 74.957 -4.031 29.282 1.00 0.00 H new ATOM 0 HA ASN A 18 75.229 -6.115 27.239 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.011 -3.071 27.178 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.178 -4.035 25.725 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.470 -3.584 26.524 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.814 -2.460 26.296 1.00 0.00 H new ATOM 282 N TRP A 19 77.836 -5.976 27.678 1.00 0.00 N ATOM 283 CA TRP A 19 79.301 -5.903 27.433 1.00 0.00 C ATOM 284 C TRP A 19 79.549 -6.048 25.930 1.00 0.00 C ATOM 285 O TRP A 19 80.541 -5.583 25.403 1.00 0.00 O ATOM 286 CB TRP A 19 80.012 -7.035 28.181 1.00 0.00 C ATOM 287 CG TRP A 19 79.499 -8.354 27.701 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.469 -9.040 28.248 1.00 0.00 C ATOM 289 CD2 TRP A 19 79.973 -9.152 26.579 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.287 -10.213 27.537 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.189 -10.326 26.497 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.999 -8.970 25.638 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.418 -11.288 25.511 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.232 -9.933 24.644 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.443 -11.092 24.582 1.00 0.00 C ATOM 0 H TRP A 19 77.514 -6.819 28.153 1.00 0.00 H new ATOM 0 HA TRP A 19 79.689 -4.949 27.789 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.088 -6.971 28.019 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.845 -6.937 29.254 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.885 -8.724 29.100 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.574 -10.909 27.754 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.613 -8.083 25.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.807 -12.177 25.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 82.022 -9.781 23.923 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.628 -11.832 23.817 1.00 0.00 H new ATOM 306 N ARG A 20 78.643 -6.686 25.235 1.00 0.00 N ATOM 307 CA ARG A 20 78.806 -6.860 23.764 1.00 0.00 C ATOM 308 C ARG A 20 78.876 -5.491 23.089 1.00 0.00 C ATOM 309 O ARG A 20 79.650 -5.273 22.177 1.00 0.00 O ATOM 310 CB ARG A 20 77.605 -7.629 23.211 1.00 0.00 C ATOM 311 CG ARG A 20 77.658 -9.083 23.685 1.00 0.00 C ATOM 312 CD ARG A 20 76.453 -9.843 23.130 1.00 0.00 C ATOM 313 NE ARG A 20 76.503 -11.259 23.591 1.00 0.00 N ATOM 314 CZ ARG A 20 75.447 -12.019 23.483 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.346 -11.538 22.973 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.492 -13.260 23.882 1.00 0.00 N ATOM 0 H ARG A 20 77.794 -7.095 25.626 1.00 0.00 H new ATOM 0 HA ARG A 20 79.725 -7.412 23.565 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.678 -7.162 23.544 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.608 -7.592 22.122 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.583 -9.552 23.351 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.656 -9.122 24.774 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.528 -9.373 23.464 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.455 -9.804 22.041 1.00 0.00 H new ATOM 0 HE ARG A 20 77.363 -11.635 23.991 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.311 -10.568 22.659 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.521 -12.132 22.889 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.353 -13.637 24.279 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.667 -13.853 23.797 1.00 0.00 H new ATOM 330 N ALA A 21 78.074 -4.566 23.530 1.00 0.00 N ATOM 331 CA ALA A 21 78.092 -3.210 22.916 1.00 0.00 C ATOM 332 C ALA A 21 79.443 -2.552 23.194 1.00 0.00 C ATOM 333 O ALA A 21 80.008 -1.887 22.349 1.00 0.00 O ATOM 334 CB ALA A 21 76.969 -2.363 23.519 1.00 0.00 C ATOM 0 H ALA A 21 77.405 -4.689 24.290 1.00 0.00 H new ATOM 0 HA ALA A 21 77.942 -3.290 21.839 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.981 -1.370 23.070 1.00 0.00 H new ATOM 0 HB2 ALA A 21 76.008 -2.839 23.322 1.00 0.00 H new ATOM 0 HB3 ALA A 21 77.116 -2.276 24.596 1.00 0.00 H new ATOM 340 N MET A 22 79.964 -2.730 24.377 1.00 0.00 N ATOM 341 CA MET A 22 81.278 -2.117 24.717 1.00 0.00 C ATOM 342 C MET A 22 82.355 -2.641 23.762 1.00 0.00 C ATOM 343 O MET A 22 83.139 -1.888 23.223 1.00 0.00 O ATOM 344 CB MET A 22 81.648 -2.496 26.152 1.00 0.00 C ATOM 345 CG MET A 22 82.834 -1.652 26.624 1.00 0.00 C ATOM 346 SD MET A 22 83.588 -2.423 28.079 1.00 0.00 S ATOM 347 CE MET A 22 82.078 -2.642 29.051 1.00 0.00 C ATOM 0 H MET A 22 79.535 -3.275 25.124 1.00 0.00 H new ATOM 0 HA MET A 22 81.210 -1.033 24.623 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.794 -2.339 26.811 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.900 -3.555 26.204 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.570 -1.562 25.825 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.501 -0.643 26.866 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.331 -2.697 30.110 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.410 -1.798 28.881 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.581 -3.564 28.749 1.00 0.00 H new ATOM 357 N ALA A 23 82.403 -3.929 23.547 1.00 0.00 N ATOM 358 CA ALA A 23 83.435 -4.493 22.630 1.00 0.00 C ATOM 359 C ALA A 23 83.264 -3.884 21.232 1.00 0.00 C ATOM 360 O ALA A 23 84.225 -3.548 20.568 1.00 0.00 O ATOM 361 CB ALA A 23 83.265 -6.019 22.561 1.00 0.00 C ATOM 0 H ALA A 23 81.773 -4.613 23.966 1.00 0.00 H new ATOM 0 HA ALA A 23 84.432 -4.256 23.002 1.00 0.00 H new ATOM 0 HB1 ALA A 23 84.016 -6.439 21.892 1.00 0.00 H new ATOM 0 HB2 ALA A 23 83.388 -6.444 23.557 1.00 0.00 H new ATOM 0 HB3 ALA A 23 82.270 -6.258 22.185 1.00 0.00 H new ATOM 367 N SER A 24 82.048 -3.746 20.784 1.00 0.00 N ATOM 368 CA SER A 24 81.808 -3.167 19.431 1.00 0.00 C ATOM 369 C SER A 24 82.271 -1.709 19.394 1.00 0.00 C ATOM 370 O SER A 24 82.786 -1.238 18.399 1.00 0.00 O ATOM 371 CB SER A 24 80.317 -3.240 19.100 1.00 0.00 C ATOM 372 OG SER A 24 79.950 -4.596 18.888 1.00 0.00 O ATOM 0 H SER A 24 81.207 -4.010 21.297 1.00 0.00 H new ATOM 0 HA SER A 24 82.373 -3.738 18.694 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.730 -2.815 19.915 1.00 0.00 H new ATOM 0 HB3 SER A 24 80.101 -2.649 18.210 1.00 0.00 H new ATOM 0 HG SER A 24 78.994 -4.647 18.677 1.00 0.00 H new ATOM 378 N ASP A 25 82.078 -0.985 20.461 1.00 0.00 N ATOM 379 CA ASP A 25 82.492 0.447 20.472 1.00 0.00 C ATOM 380 C ASP A 25 84.018 0.555 20.461 1.00 0.00 C ATOM 381 O ASP A 25 84.581 1.399 19.793 1.00 0.00 O ATOM 382 CB ASP A 25 81.954 1.118 21.737 1.00 0.00 C ATOM 383 CG ASP A 25 80.433 1.252 21.642 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.923 1.224 20.534 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.804 1.385 22.680 1.00 0.00 O ATOM 0 H ASP A 25 81.652 -1.322 21.325 1.00 0.00 H new ATOM 0 HA ASP A 25 82.091 0.939 19.586 1.00 0.00 H new ATOM 0 HB2 ASP A 25 82.223 0.530 22.615 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.408 2.101 21.860 1.00 0.00 H new ATOM 390 N PHE A 26 84.692 -0.293 21.191 1.00 0.00 N ATOM 391 CA PHE A 26 86.189 -0.247 21.222 1.00 0.00 C ATOM 392 C PHE A 26 86.750 -1.303 20.266 1.00 0.00 C ATOM 393 O PHE A 26 87.947 -1.447 20.116 1.00 0.00 O ATOM 394 CB PHE A 26 86.680 -0.515 22.647 1.00 0.00 C ATOM 395 CG PHE A 26 86.316 0.659 23.531 1.00 0.00 C ATOM 396 CD1 PHE A 26 87.197 1.743 23.656 1.00 0.00 C ATOM 397 CD2 PHE A 26 85.097 0.667 24.220 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.858 2.830 24.469 1.00 0.00 C ATOM 399 CE2 PHE A 26 84.759 1.756 25.033 1.00 0.00 C ATOM 400 CZ PHE A 26 85.639 2.837 25.158 1.00 0.00 C ATOM 0 H PHE A 26 84.271 -1.019 21.770 1.00 0.00 H new ATOM 0 HA PHE A 26 86.533 0.739 20.908 1.00 0.00 H new ATOM 0 HB2 PHE A 26 86.229 -1.429 23.033 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.759 -0.666 22.650 1.00 0.00 H new ATOM 0 HD1 PHE A 26 88.137 1.739 23.125 1.00 0.00 H new ATOM 0 HD2 PHE A 26 84.417 -0.167 24.124 1.00 0.00 H new ATOM 0 HE1 PHE A 26 87.537 3.664 24.565 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.819 1.762 25.564 1.00 0.00 H new ATOM 0 HZ PHE A 26 85.378 3.676 25.786 1.00 0.00 H new ATOM 410 N ASN A 27 85.887 -2.034 19.611 1.00 0.00 N ATOM 411 CA ASN A 27 86.350 -3.076 18.647 1.00 0.00 C ATOM 412 C ASN A 27 87.321 -4.047 19.328 1.00 0.00 C ATOM 413 O ASN A 27 88.351 -4.387 18.779 1.00 0.00 O ATOM 414 CB ASN A 27 87.053 -2.405 17.463 1.00 0.00 C ATOM 415 CG ASN A 27 86.082 -1.449 16.766 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.843 -1.814 16.584 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 86.456 -0.357 16.385 1.00 0.00 N flip ATOM 0 H ASN A 27 84.874 -1.953 19.703 1.00 0.00 H new ATOM 0 HA ASN A 27 85.482 -3.634 18.295 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.931 -1.860 17.809 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.404 -3.160 16.760 1.00 0.00 H new ATOM 0 HD21 ASN A 27 87.425 -0.071 16.527 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.801 0.274 15.923 1.00 0.00 H new ATOM 424 N LEU A 28 86.995 -4.506 20.514 1.00 0.00 N ATOM 425 CA LEU A 28 87.886 -5.472 21.240 1.00 0.00 C ATOM 426 C LEU A 28 87.115 -6.782 21.456 1.00 0.00 C ATOM 427 O LEU A 28 85.908 -6.770 21.578 1.00 0.00 O ATOM 428 CB LEU A 28 88.257 -4.883 22.607 1.00 0.00 C ATOM 429 CG LEU A 28 89.167 -3.654 22.428 1.00 0.00 C ATOM 430 CD1 LEU A 28 89.120 -2.789 23.692 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.619 -4.094 22.179 1.00 0.00 C ATOM 0 H LEU A 28 86.144 -4.252 21.015 1.00 0.00 H new ATOM 0 HA LEU A 28 88.790 -5.656 20.660 1.00 0.00 H new ATOM 0 HB2 LEU A 28 87.353 -4.600 23.146 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.765 -5.636 23.210 1.00 0.00 H new ATOM 0 HG LEU A 28 88.812 -3.082 21.571 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.765 -1.920 23.562 1.00 0.00 H new ATOM 0 HD12 LEU A 28 88.097 -2.458 23.869 1.00 0.00 H new ATOM 0 HD13 LEU A 28 89.465 -3.373 24.545 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.250 -3.214 22.054 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.973 -4.677 23.029 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.665 -4.704 21.277 1.00 0.00 H new ATOM 443 N PRO A 29 87.791 -7.907 21.502 1.00 0.00 N ATOM 444 CA PRO A 29 87.120 -9.225 21.707 1.00 0.00 C ATOM 445 C PRO A 29 86.573 -9.384 23.141 1.00 0.00 C ATOM 446 O PRO A 29 87.037 -8.737 24.058 1.00 0.00 O ATOM 447 CB PRO A 29 88.233 -10.246 21.426 1.00 0.00 C ATOM 448 CG PRO A 29 89.503 -9.519 21.736 1.00 0.00 C ATOM 449 CD PRO A 29 89.252 -8.055 21.364 1.00 0.00 C ATOM 0 HA PRO A 29 86.251 -9.347 21.061 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.123 -11.133 22.049 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.211 -10.580 20.389 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.760 -9.615 22.791 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.337 -9.929 21.166 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.788 -7.376 22.027 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.583 -7.837 20.349 1.00 0.00 H new ATOM 457 N PRO A 30 85.600 -10.249 23.334 1.00 0.00 N ATOM 458 CA PRO A 30 84.999 -10.496 24.677 1.00 0.00 C ATOM 459 C PRO A 30 86.049 -10.569 25.794 1.00 0.00 C ATOM 460 O PRO A 30 85.741 -10.405 26.958 1.00 0.00 O ATOM 461 CB PRO A 30 84.310 -11.861 24.516 1.00 0.00 C ATOM 462 CG PRO A 30 83.973 -11.975 23.058 1.00 0.00 C ATOM 463 CD PRO A 30 84.963 -11.080 22.292 1.00 0.00 C ATOM 0 HA PRO A 30 84.328 -9.688 24.968 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.968 -12.671 24.831 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.412 -11.922 25.131 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.052 -13.010 22.724 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.946 -11.658 22.874 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.701 -11.675 21.754 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.450 -10.464 21.553 1.00 0.00 H new ATOM 471 N VAL A 31 87.277 -10.843 25.453 1.00 0.00 N ATOM 472 CA VAL A 31 88.331 -10.961 26.500 1.00 0.00 C ATOM 473 C VAL A 31 88.472 -9.654 27.284 1.00 0.00 C ATOM 474 O VAL A 31 88.485 -9.652 28.499 1.00 0.00 O ATOM 475 CB VAL A 31 89.667 -11.293 25.827 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.818 -11.177 26.838 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.611 -12.722 25.282 1.00 0.00 C ATOM 0 H VAL A 31 87.597 -10.990 24.496 1.00 0.00 H new ATOM 0 HA VAL A 31 88.048 -11.752 27.195 1.00 0.00 H new ATOM 0 HB VAL A 31 89.842 -10.589 25.014 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.761 -11.416 26.345 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.859 -10.160 27.227 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.652 -11.873 27.660 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.559 -12.966 24.801 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.431 -13.417 26.102 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.804 -12.802 24.554 1.00 0.00 H new ATOM 487 N VAL A 32 88.600 -8.550 26.611 1.00 0.00 N ATOM 488 CA VAL A 32 88.765 -7.264 27.340 1.00 0.00 C ATOM 489 C VAL A 32 87.429 -6.814 27.931 1.00 0.00 C ATOM 490 O VAL A 32 87.364 -6.361 29.056 1.00 0.00 O ATOM 491 CB VAL A 32 89.292 -6.195 26.384 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.452 -4.871 27.139 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.649 -6.638 25.828 1.00 0.00 C ATOM 0 H VAL A 32 88.598 -8.480 25.593 1.00 0.00 H new ATOM 0 HA VAL A 32 89.478 -7.408 28.152 1.00 0.00 H new ATOM 0 HB VAL A 32 88.590 -6.059 25.562 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.828 -4.107 26.458 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.486 -4.560 27.536 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.156 -5.003 27.960 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.028 -5.878 25.145 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.353 -6.772 26.650 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.533 -7.581 25.293 1.00 0.00 H new ATOM 503 N ALA A 33 86.362 -6.924 27.187 1.00 0.00 N ATOM 504 CA ALA A 33 85.042 -6.485 27.720 1.00 0.00 C ATOM 505 C ALA A 33 84.697 -7.292 28.971 1.00 0.00 C ATOM 506 O ALA A 33 84.312 -6.746 29.986 1.00 0.00 O ATOM 507 CB ALA A 33 83.962 -6.692 26.655 1.00 0.00 C ATOM 0 H ALA A 33 86.347 -7.297 26.238 1.00 0.00 H new ATOM 0 HA ALA A 33 85.092 -5.427 27.979 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.997 -6.370 27.048 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.207 -6.106 25.769 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.911 -7.748 26.389 1.00 0.00 H new ATOM 513 N LYS A 34 84.833 -8.584 28.910 1.00 0.00 N ATOM 514 CA LYS A 34 84.517 -9.426 30.099 1.00 0.00 C ATOM 515 C LYS A 34 85.418 -9.010 31.260 1.00 0.00 C ATOM 516 O LYS A 34 85.001 -8.956 32.401 1.00 0.00 O ATOM 517 CB LYS A 34 84.784 -10.898 29.762 1.00 0.00 C ATOM 518 CG LYS A 34 83.748 -11.419 28.755 1.00 0.00 C ATOM 519 CD LYS A 34 82.432 -11.775 29.459 1.00 0.00 C ATOM 520 CE LYS A 34 81.497 -12.458 28.460 1.00 0.00 C ATOM 521 NZ LYS A 34 80.247 -12.876 29.152 1.00 0.00 N ATOM 0 H LYS A 34 85.150 -9.097 28.087 1.00 0.00 H new ATOM 0 HA LYS A 34 83.471 -9.294 30.375 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.787 -11.006 29.349 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.748 -11.497 30.672 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.564 -10.663 27.992 1.00 0.00 H new ATOM 0 HG3 LYS A 34 84.141 -12.298 28.244 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.625 -12.435 30.305 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.964 -10.875 29.857 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.262 -11.777 27.642 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.989 -13.326 28.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.612 -13.340 28.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.480 -13.540 29.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.775 -12.040 29.551 1.00 0.00 H new ATOM 535 N GLU A 35 86.660 -8.733 30.976 1.00 0.00 N ATOM 536 CA GLU A 35 87.610 -8.337 32.054 1.00 0.00 C ATOM 537 C GLU A 35 87.157 -7.024 32.698 1.00 0.00 C ATOM 538 O GLU A 35 87.234 -6.857 33.900 1.00 0.00 O ATOM 539 CB GLU A 35 89.003 -8.156 31.448 1.00 0.00 C ATOM 540 CG GLU A 35 90.051 -8.040 32.562 1.00 0.00 C ATOM 541 CD GLU A 35 89.980 -6.651 33.204 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.448 -5.752 32.575 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.465 -6.510 34.315 1.00 0.00 O ATOM 0 H GLU A 35 87.060 -8.764 30.038 1.00 0.00 H new ATOM 0 HA GLU A 35 87.635 -9.114 32.818 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.240 -9.001 30.802 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.023 -7.262 30.824 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.879 -8.808 33.316 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.047 -8.211 32.155 1.00 0.00 H new ATOM 550 N ILE A 36 86.682 -6.090 31.919 1.00 0.00 N ATOM 551 CA ILE A 36 86.229 -4.799 32.512 1.00 0.00 C ATOM 552 C ILE A 36 85.070 -5.090 33.469 1.00 0.00 C ATOM 553 O ILE A 36 84.991 -4.544 34.552 1.00 0.00 O ATOM 554 CB ILE A 36 85.778 -3.851 31.396 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.989 -3.466 30.542 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.181 -2.586 32.009 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.519 -2.728 29.287 1.00 0.00 C ATOM 0 H ILE A 36 86.588 -6.163 30.906 1.00 0.00 H new ATOM 0 HA ILE A 36 87.044 -4.323 33.058 1.00 0.00 H new ATOM 0 HB ILE A 36 85.029 -4.348 30.779 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.665 -2.833 31.116 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.548 -4.359 30.263 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.861 -1.913 31.214 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.323 -2.851 32.627 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.932 -2.090 32.624 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.383 -2.455 28.681 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.860 -3.376 28.709 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.979 -1.826 29.576 1.00 0.00 H new ATOM 569 N VAL A 37 84.191 -5.978 33.090 1.00 0.00 N ATOM 570 CA VAL A 37 83.057 -6.345 33.984 1.00 0.00 C ATOM 571 C VAL A 37 83.632 -7.035 35.222 1.00 0.00 C ATOM 572 O VAL A 37 83.194 -6.823 36.336 1.00 0.00 O ATOM 573 CB VAL A 37 82.128 -7.309 33.235 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.100 -7.893 34.203 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.401 -6.549 32.122 1.00 0.00 C ATOM 0 H VAL A 37 84.210 -6.467 32.195 1.00 0.00 H new ATOM 0 HA VAL A 37 82.493 -5.461 34.280 1.00 0.00 H new ATOM 0 HB VAL A 37 82.718 -8.118 32.805 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.442 -8.577 33.666 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.614 -8.433 34.998 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.509 -7.086 34.636 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.740 -7.231 31.588 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.813 -5.741 32.557 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.132 -6.134 31.428 1.00 0.00 H new ATOM 585 N ALA A 38 84.620 -7.862 35.020 1.00 0.00 N ATOM 586 CA ALA A 38 85.256 -8.584 36.157 1.00 0.00 C ATOM 587 C ALA A 38 85.896 -7.585 37.129 1.00 0.00 C ATOM 588 O ALA A 38 86.177 -7.912 38.264 1.00 0.00 O ATOM 589 CB ALA A 38 86.335 -9.522 35.611 1.00 0.00 C ATOM 0 H ALA A 38 85.018 -8.071 34.104 1.00 0.00 H new ATOM 0 HA ALA A 38 84.496 -9.156 36.689 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.806 -10.055 36.437 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.881 -10.240 34.928 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.087 -8.940 35.079 1.00 0.00 H new ATOM 595 N SER A 39 86.152 -6.378 36.690 1.00 0.00 N ATOM 596 CA SER A 39 86.801 -5.375 37.592 1.00 0.00 C ATOM 597 C SER A 39 85.741 -4.496 38.255 1.00 0.00 C ATOM 598 O SER A 39 85.889 -4.084 39.388 1.00 0.00 O ATOM 599 CB SER A 39 87.740 -4.494 36.767 1.00 0.00 C ATOM 600 OG SER A 39 88.808 -5.285 36.264 1.00 0.00 O ATOM 0 H SER A 39 85.941 -6.044 35.750 1.00 0.00 H new ATOM 0 HA SER A 39 87.361 -5.900 38.365 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.195 -4.033 35.943 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.131 -3.684 37.383 1.00 0.00 H new ATOM 0 HG SER A 39 88.485 -5.837 35.521 1.00 0.00 H new ATOM 606 N CYS A 40 84.671 -4.206 37.571 1.00 0.00 N ATOM 607 CA CYS A 40 83.616 -3.357 38.189 1.00 0.00 C ATOM 608 C CYS A 40 83.092 -4.050 39.450 1.00 0.00 C ATOM 609 O CYS A 40 82.867 -5.243 39.464 1.00 0.00 O ATOM 610 CB CYS A 40 82.475 -3.148 37.193 1.00 0.00 C ATOM 611 SG CYS A 40 81.507 -1.701 37.685 1.00 0.00 S ATOM 0 H CYS A 40 84.482 -4.517 36.618 1.00 0.00 H new ATOM 0 HA CYS A 40 84.032 -2.386 38.456 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.875 -3.008 36.189 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.838 -4.032 37.162 1.00 0.00 H new ATOM 616 N ASP A 41 82.911 -3.316 40.511 1.00 0.00 N ATOM 617 CA ASP A 41 82.419 -3.936 41.775 1.00 0.00 C ATOM 618 C ASP A 41 80.922 -4.256 41.682 1.00 0.00 C ATOM 619 O ASP A 41 80.466 -5.268 42.175 1.00 0.00 O ATOM 620 CB ASP A 41 82.660 -2.972 42.942 1.00 0.00 C ATOM 621 CG ASP A 41 84.160 -2.875 43.225 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.890 -3.727 42.747 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.554 -1.947 43.913 1.00 0.00 O ATOM 0 H ASP A 41 83.082 -2.312 40.559 1.00 0.00 H new ATOM 0 HA ASP A 41 82.963 -4.866 41.938 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.260 -1.987 42.702 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.134 -3.321 43.830 1.00 0.00 H new ATOM 628 N LYS A 42 80.148 -3.388 41.090 1.00 0.00 N ATOM 629 CA LYS A 42 78.674 -3.629 41.012 1.00 0.00 C ATOM 630 C LYS A 42 78.337 -4.774 40.044 1.00 0.00 C ATOM 631 O LYS A 42 77.455 -5.568 40.306 1.00 0.00 O ATOM 632 CB LYS A 42 77.981 -2.353 40.533 1.00 0.00 C ATOM 633 CG LYS A 42 78.054 -1.290 41.631 1.00 0.00 C ATOM 634 CD LYS A 42 77.361 -0.012 41.155 1.00 0.00 C ATOM 635 CE LYS A 42 77.433 1.052 42.252 1.00 0.00 C ATOM 636 NZ LYS A 42 76.673 0.588 43.448 1.00 0.00 N ATOM 0 H LYS A 42 80.470 -2.522 40.657 1.00 0.00 H new ATOM 0 HA LYS A 42 78.325 -3.909 42.006 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.459 -1.986 39.625 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.941 -2.563 40.284 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.577 -1.658 42.539 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.094 -1.081 41.880 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.838 0.355 40.247 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.321 -0.222 40.906 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.472 1.243 42.520 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.020 1.993 41.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.460 1.401 44.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 75.784 0.142 43.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.244 -0.103 43.975 1.00 0.00 H new ATOM 650 N CYS A 43 79.006 -4.864 38.925 1.00 0.00 N ATOM 651 CA CYS A 43 78.679 -5.958 37.957 1.00 0.00 C ATOM 652 C CYS A 43 79.374 -7.259 38.366 1.00 0.00 C ATOM 653 O CYS A 43 79.246 -8.272 37.709 1.00 0.00 O ATOM 654 CB CYS A 43 79.120 -5.558 36.548 1.00 0.00 C ATOM 655 SG CYS A 43 78.392 -3.956 36.121 1.00 0.00 S ATOM 0 H CYS A 43 79.757 -4.236 38.639 1.00 0.00 H new ATOM 0 HA CYS A 43 77.601 -6.118 37.965 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.207 -5.500 36.498 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.808 -6.315 35.829 1.00 0.00 H new ATOM 660 N GLN A 44 80.108 -7.244 39.445 1.00 0.00 N ATOM 661 CA GLN A 44 80.807 -8.487 39.887 1.00 0.00 C ATOM 662 C GLN A 44 79.811 -9.411 40.595 1.00 0.00 C ATOM 663 O GLN A 44 79.450 -10.455 40.090 1.00 0.00 O ATOM 664 CB GLN A 44 81.937 -8.106 40.852 1.00 0.00 C ATOM 665 CG GLN A 44 82.731 -9.351 41.273 1.00 0.00 C ATOM 666 CD GLN A 44 83.567 -9.856 40.095 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.632 -11.043 39.850 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.219 -9.001 39.357 1.00 0.00 N ATOM 0 H GLN A 44 80.254 -6.428 40.039 1.00 0.00 H new ATOM 0 HA GLN A 44 81.222 -9.006 39.023 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.603 -7.387 40.375 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.521 -7.618 41.733 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.380 -9.112 42.115 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.049 -10.132 41.608 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.164 -8.004 39.563 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.784 -9.330 38.574 1.00 0.00 H new ATOM 677 N LEU A 45 79.372 -9.037 41.764 1.00 0.00 N ATOM 678 CA LEU A 45 78.406 -9.894 42.513 1.00 0.00 C ATOM 679 C LEU A 45 76.984 -9.605 42.026 1.00 0.00 C ATOM 680 O LEU A 45 76.623 -8.471 41.780 1.00 0.00 O ATOM 681 CB LEU A 45 78.487 -9.564 44.006 1.00 0.00 C ATOM 682 CG LEU A 45 79.918 -9.762 44.514 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.979 -9.369 45.994 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.337 -11.236 44.350 1.00 0.00 C ATOM 0 H LEU A 45 79.640 -8.173 42.236 1.00 0.00 H new ATOM 0 HA LEU A 45 78.652 -10.943 42.347 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.172 -8.534 44.176 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.803 -10.203 44.565 1.00 0.00 H new ATOM 0 HG LEU A 45 80.600 -9.137 43.937 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.994 -9.507 46.365 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.690 -8.324 46.105 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.295 -9.997 46.566 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.356 -11.367 44.714 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.662 -11.872 44.923 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.289 -11.513 43.297 1.00 0.00 H new ATOM 696 N LYS A 46 76.169 -10.616 41.896 1.00 0.00 N ATOM 697 CA LYS A 46 74.770 -10.385 41.437 1.00 0.00 C ATOM 698 C LYS A 46 73.935 -9.892 42.619 1.00 0.00 C ATOM 699 O LYS A 46 73.958 -10.467 43.689 1.00 0.00 O ATOM 700 CB LYS A 46 74.172 -11.691 40.910 1.00 0.00 C ATOM 701 CG LYS A 46 74.950 -12.152 39.678 1.00 0.00 C ATOM 702 CD LYS A 46 74.348 -13.457 39.157 1.00 0.00 C ATOM 703 CE LYS A 46 75.123 -13.923 37.924 1.00 0.00 C ATOM 704 NZ LYS A 46 74.897 -12.970 36.800 1.00 0.00 N ATOM 0 H LYS A 46 76.410 -11.589 42.087 1.00 0.00 H new ATOM 0 HA LYS A 46 74.768 -9.642 40.639 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.209 -12.458 41.684 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.122 -11.545 40.656 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.913 -11.386 38.903 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.000 -12.298 39.931 1.00 0.00 H new ATOM 0 HD2 LYS A 46 74.385 -14.222 39.933 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.298 -13.310 38.905 1.00 0.00 H new ATOM 0 HE2 LYS A 46 76.187 -13.985 38.153 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.800 -14.923 37.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 75.157 -13.425 35.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 73.894 -12.697 36.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 75.483 -12.122 36.941 1.00 0.00 H new ATOM 718 N GLY A 47 73.196 -8.832 42.439 1.00 0.00 N ATOM 719 CA GLY A 47 72.363 -8.313 43.560 1.00 0.00 C ATOM 720 C GLY A 47 73.225 -8.182 44.818 1.00 0.00 C ATOM 721 O GLY A 47 74.362 -7.755 44.763 1.00 0.00 O ATOM 0 H GLY A 47 73.133 -8.305 41.568 1.00 0.00 H new ATOM 0 HA2 GLY A 47 71.939 -7.345 43.294 1.00 0.00 H new ATOM 0 HA3 GLY A 47 71.527 -8.986 43.748 1.00 0.00 H new ATOM 725 N GLU A 48 72.688 -8.549 45.952 1.00 0.00 N ATOM 726 CA GLU A 48 73.466 -8.451 47.222 1.00 0.00 C ATOM 727 C GLU A 48 74.241 -9.751 47.444 1.00 0.00 C ATOM 728 O GLU A 48 75.431 -9.825 47.206 1.00 0.00 O ATOM 729 CB GLU A 48 72.501 -8.226 48.386 1.00 0.00 C ATOM 730 CG GLU A 48 71.835 -6.857 48.236 1.00 0.00 C ATOM 731 CD GLU A 48 70.811 -6.660 49.355 1.00 0.00 C ATOM 732 OE1 GLU A 48 70.611 -7.589 50.120 1.00 0.00 O ATOM 733 OE2 GLU A 48 70.240 -5.583 49.425 1.00 0.00 O ATOM 0 H GLU A 48 71.741 -8.914 46.053 1.00 0.00 H new ATOM 0 HA GLU A 48 74.166 -7.618 47.162 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.745 -9.011 48.403 1.00 0.00 H new ATOM 0 HB3 GLU A 48 73.037 -8.280 49.333 1.00 0.00 H new ATOM 0 HG2 GLU A 48 72.587 -6.069 48.275 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.346 -6.784 47.265 1.00 0.00 H new ATOM 740 N ALA A 49 73.577 -10.779 47.897 1.00 0.00 N ATOM 741 CA ALA A 49 74.278 -12.074 48.132 1.00 0.00 C ATOM 742 C ALA A 49 73.256 -13.200 48.315 1.00 0.00 C ATOM 743 O ALA A 49 73.344 -14.236 47.687 1.00 0.00 O ATOM 744 CB ALA A 49 75.145 -11.964 49.388 1.00 0.00 C ATOM 0 H ALA A 49 72.580 -10.779 48.114 1.00 0.00 H new ATOM 0 HA ALA A 49 74.906 -12.300 47.270 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.658 -12.910 49.560 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.881 -11.172 49.254 1.00 0.00 H new ATOM 0 HB3 ALA A 49 74.514 -11.731 50.246 1.00 0.00 H new ATOM 750 N MET A 50 72.288 -13.008 49.168 1.00 0.00 N ATOM 751 CA MET A 50 71.266 -14.075 49.383 1.00 0.00 C ATOM 752 C MET A 50 70.327 -14.132 48.177 1.00 0.00 C ATOM 753 O MET A 50 69.921 -13.117 47.648 1.00 0.00 O ATOM 754 CB MET A 50 70.446 -13.766 50.638 1.00 0.00 C ATOM 755 CG MET A 50 69.539 -14.956 50.958 1.00 0.00 C ATOM 756 SD MET A 50 68.566 -14.597 52.443 1.00 0.00 S ATOM 757 CE MET A 50 67.523 -16.078 52.401 1.00 0.00 C ATOM 0 H MET A 50 72.159 -12.163 49.724 1.00 0.00 H new ATOM 0 HA MET A 50 71.772 -15.032 49.506 1.00 0.00 H new ATOM 0 HB2 MET A 50 71.110 -13.564 51.479 1.00 0.00 H new ATOM 0 HB3 MET A 50 69.846 -12.869 50.482 1.00 0.00 H new ATOM 0 HG2 MET A 50 68.876 -15.157 50.117 1.00 0.00 H new ATOM 0 HG3 MET A 50 70.139 -15.853 51.112 1.00 0.00 H new ATOM 0 HE1 MET A 50 66.833 -16.061 53.245 1.00 0.00 H new ATOM 0 HE2 MET A 50 66.957 -16.098 51.470 1.00 0.00 H new ATOM 0 HE3 MET A 50 68.151 -16.967 52.463 1.00 0.00 H new ATOM 767 N HIS A 51 69.973 -15.313 47.738 1.00 0.00 N ATOM 768 CA HIS A 51 69.054 -15.430 46.567 1.00 0.00 C ATOM 769 C HIS A 51 68.261 -16.735 46.661 1.00 0.00 C ATOM 770 O HIS A 51 68.640 -17.657 47.354 1.00 0.00 O ATOM 771 CB HIS A 51 69.868 -15.429 45.271 1.00 0.00 C ATOM 772 CG HIS A 51 70.781 -16.622 45.250 1.00 0.00 C ATOM 773 ND1 HIS A 51 70.326 -17.896 44.935 1.00 0.00 N ATOM 774 CD2 HIS A 51 72.125 -16.754 45.497 1.00 0.00 C ATOM 775 CE1 HIS A 51 71.380 -18.731 45.000 1.00 0.00 C ATOM 776 NE2 HIS A 51 72.497 -18.084 45.338 1.00 0.00 N ATOM 0 H HIS A 51 70.280 -16.199 48.139 1.00 0.00 H new ATOM 0 HA HIS A 51 68.367 -14.584 46.568 1.00 0.00 H new ATOM 0 HB2 HIS A 51 69.200 -15.454 44.410 1.00 0.00 H new ATOM 0 HB3 HIS A 51 70.451 -14.511 45.196 1.00 0.00 H new ATOM 0 HD2 HIS A 51 72.790 -15.949 45.772 1.00 0.00 H new ATOM 0 HE1 HIS A 51 71.328 -19.792 44.803 1.00 0.00 H new ATOM 0 HE2 HIS A 51 73.429 -18.482 45.455 1.00 0.00 H new ATOM 785 N GLY A 52 67.161 -16.815 45.961 1.00 0.00 N ATOM 786 CA GLY A 52 66.331 -18.055 45.994 1.00 0.00 C ATOM 787 C GLY A 52 65.615 -18.211 44.652 1.00 0.00 C ATOM 788 O GLY A 52 64.472 -18.616 44.589 1.00 0.00 O ATOM 0 H GLY A 52 66.800 -16.071 45.364 1.00 0.00 H new ATOM 0 HA2 GLY A 52 66.960 -18.924 46.188 1.00 0.00 H new ATOM 0 HA3 GLY A 52 65.604 -18.000 46.804 1.00 0.00 H new ATOM 792 N GLN A 53 66.280 -17.886 43.578 1.00 0.00 N ATOM 793 CA GLN A 53 65.641 -18.009 42.241 1.00 0.00 C ATOM 794 C GLN A 53 65.680 -19.473 41.803 1.00 0.00 C ATOM 795 O GLN A 53 66.581 -20.209 42.153 1.00 0.00 O ATOM 796 CB GLN A 53 66.408 -17.152 41.233 1.00 0.00 C ATOM 797 CG GLN A 53 66.173 -15.672 41.542 1.00 0.00 C ATOM 798 CD GLN A 53 66.955 -14.811 40.549 1.00 0.00 C ATOM 799 OE1 GLN A 53 66.995 -15.104 39.372 1.00 0.00 O ATOM 800 NE2 GLN A 53 67.595 -13.759 40.982 1.00 0.00 N ATOM 0 H GLN A 53 67.240 -17.540 43.570 1.00 0.00 H new ATOM 0 HA GLN A 53 64.607 -17.669 42.291 1.00 0.00 H new ATOM 0 HB2 GLN A 53 67.473 -17.380 41.281 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.078 -17.380 40.219 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.109 -15.441 41.480 1.00 0.00 H new ATOM 0 HG3 GLN A 53 66.489 -15.448 42.561 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.561 -13.513 41.971 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.129 -13.183 40.331 1.00 0.00 H new ATOM 809 N VAL A 54 64.705 -19.900 41.042 1.00 0.00 N ATOM 810 CA VAL A 54 64.667 -21.320 40.575 1.00 0.00 C ATOM 811 C VAL A 54 65.086 -21.381 39.104 1.00 0.00 C ATOM 812 O VAL A 54 64.596 -20.641 38.275 1.00 0.00 O ATOM 813 CB VAL A 54 63.243 -21.856 40.733 1.00 0.00 C ATOM 814 CG1 VAL A 54 62.296 -21.094 39.800 1.00 0.00 C ATOM 815 CG2 VAL A 54 63.217 -23.348 40.389 1.00 0.00 C ATOM 0 H VAL A 54 63.928 -19.322 40.722 1.00 0.00 H new ATOM 0 HA VAL A 54 65.352 -21.927 41.167 1.00 0.00 H new ATOM 0 HB VAL A 54 62.917 -21.717 41.764 1.00 0.00 H new ATOM 0 HG11 VAL A 54 61.283 -21.479 39.916 1.00 0.00 H new ATOM 0 HG12 VAL A 54 62.312 -20.034 40.052 1.00 0.00 H new ATOM 0 HG13 VAL A 54 62.618 -21.226 38.767 1.00 0.00 H new ATOM 0 HG21 VAL A 54 62.202 -23.730 40.502 1.00 0.00 H new ATOM 0 HG22 VAL A 54 63.546 -23.490 39.360 1.00 0.00 H new ATOM 0 HG23 VAL A 54 63.884 -23.888 41.061 1.00 0.00 H new ATOM 825 N ASP A 55 66.002 -22.256 38.777 1.00 0.00 N ATOM 826 CA ASP A 55 66.473 -22.373 37.363 1.00 0.00 C ATOM 827 C ASP A 55 66.804 -23.836 37.057 1.00 0.00 C ATOM 828 O ASP A 55 66.331 -24.695 37.782 1.00 0.00 O ATOM 829 CB ASP A 55 67.735 -21.523 37.176 1.00 0.00 C ATOM 830 CG ASP A 55 67.361 -20.040 37.137 1.00 0.00 C ATOM 831 OD1 ASP A 55 66.229 -19.742 36.795 1.00 0.00 O ATOM 832 OD2 ASP A 55 68.215 -19.228 37.449 1.00 0.00 O ATOM 833 OXT ASP A 55 67.525 -24.071 36.102 1.00 0.00 O ATOM 0 H ASP A 55 66.447 -22.899 39.432 1.00 0.00 H new ATOM 0 HA ASP A 55 65.691 -22.024 36.689 1.00 0.00 H new ATOM 0 HB2 ASP A 55 68.434 -21.710 37.991 1.00 0.00 H new ATOM 0 HB3 ASP A 55 68.240 -21.804 36.252 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 96.032 -12.229 23.500 1.00 0.00 N ATOM 840 CA PHE B 1 95.019 -13.052 22.780 1.00 0.00 C ATOM 841 C PHE B 1 95.696 -14.296 22.214 1.00 0.00 C ATOM 842 O PHE B 1 95.722 -14.517 21.019 1.00 0.00 O ATOM 843 CB PHE B 1 94.425 -12.242 21.638 1.00 0.00 C ATOM 844 CG PHE B 1 93.998 -10.880 22.145 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.898 -10.766 23.005 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.704 -9.732 21.758 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.505 -9.505 23.475 1.00 0.00 C ATOM 848 CE2 PHE B 1 94.310 -8.473 22.229 1.00 0.00 C ATOM 849 CZ PHE B 1 93.211 -8.361 23.087 1.00 0.00 C ATOM 0 H1 PHE B 1 95.854 -11.221 23.317 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.966 -12.413 24.522 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.984 -12.479 23.164 1.00 0.00 H new ATOM 0 HA PHE B 1 94.227 -13.343 23.470 1.00 0.00 H new ATOM 0 HB2 PHE B 1 95.158 -12.130 20.839 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.569 -12.767 21.214 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.353 -11.649 23.306 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.553 -9.819 21.096 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.656 -9.417 24.137 1.00 0.00 H new ATOM 0 HE2 PHE B 1 94.854 -7.589 21.930 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.907 -7.390 23.450 1.00 0.00 H new ATOM 861 N LEU B 2 96.254 -15.098 23.070 1.00 0.00 N ATOM 862 CA LEU B 2 96.956 -16.339 22.619 1.00 0.00 C ATOM 863 C LEU B 2 96.065 -17.561 22.815 1.00 0.00 C ATOM 864 O LEU B 2 95.340 -17.666 23.776 1.00 0.00 O ATOM 865 CB LEU B 2 98.251 -16.512 23.418 1.00 0.00 C ATOM 866 CG LEU B 2 99.180 -15.314 23.175 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.415 -15.441 24.073 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.616 -15.270 21.697 1.00 0.00 C ATOM 0 H LEU B 2 96.257 -14.949 24.079 1.00 0.00 H new ATOM 0 HA LEU B 2 97.188 -16.245 21.558 1.00 0.00 H new ATOM 0 HB2 LEU B 2 98.024 -16.597 24.481 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.750 -17.435 23.123 1.00 0.00 H new ATOM 0 HG LEU B 2 98.646 -14.393 23.411 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.077 -14.592 23.903 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.105 -15.456 25.118 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.943 -16.365 23.838 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.274 -14.416 21.537 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.146 -16.189 21.447 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.736 -15.174 21.061 1.00 0.00 H new ATOM 880 N ASP B 3 96.127 -18.493 21.905 1.00 0.00 N ATOM 881 CA ASP B 3 95.294 -19.718 22.036 1.00 0.00 C ATOM 882 C ASP B 3 95.679 -20.417 23.338 1.00 0.00 C ATOM 883 O ASP B 3 94.841 -20.928 24.052 1.00 0.00 O ATOM 884 CB ASP B 3 95.552 -20.657 20.854 1.00 0.00 C ATOM 885 CG ASP B 3 94.662 -21.896 20.984 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.978 -22.007 21.988 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.681 -22.713 20.078 1.00 0.00 O ATOM 0 H ASP B 3 96.720 -18.458 21.076 1.00 0.00 H new ATOM 0 HA ASP B 3 94.237 -19.452 22.044 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.344 -20.143 19.915 1.00 0.00 H new ATOM 0 HB3 ASP B 3 96.601 -20.951 20.831 1.00 0.00 H new ATOM 892 N GLY B 4 96.947 -20.431 23.657 1.00 0.00 N ATOM 893 CA GLY B 4 97.397 -21.081 24.923 1.00 0.00 C ATOM 894 C GLY B 4 96.508 -20.604 26.075 1.00 0.00 C ATOM 895 O GLY B 4 96.500 -21.175 27.148 1.00 0.00 O ATOM 0 H GLY B 4 97.691 -20.019 23.094 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.341 -22.166 24.829 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.439 -20.832 25.124 1.00 0.00 H new ATOM 899 N ILE B 5 95.738 -19.574 25.849 1.00 0.00 N ATOM 900 CA ILE B 5 94.825 -19.074 26.910 1.00 0.00 C ATOM 901 C ILE B 5 93.864 -20.205 27.282 1.00 0.00 C ATOM 902 O ILE B 5 93.559 -20.421 28.438 1.00 0.00 O ATOM 903 CB ILE B 5 94.066 -17.843 26.389 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.011 -16.639 26.379 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.857 -17.544 27.285 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.365 -15.485 25.607 1.00 0.00 C ATOM 0 H ILE B 5 95.704 -19.057 24.970 1.00 0.00 H new ATOM 0 HA ILE B 5 95.381 -18.773 27.798 1.00 0.00 H new ATOM 0 HB ILE B 5 93.710 -18.042 25.378 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.231 -16.328 27.400 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.960 -16.913 25.917 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.329 -16.670 26.904 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.184 -18.402 27.287 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.197 -17.348 28.302 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.039 -14.629 25.601 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.167 -15.799 24.582 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.428 -15.205 26.088 1.00 0.00 H new ATOM 918 N ASP B 6 93.406 -20.941 26.309 1.00 0.00 N ATOM 919 CA ASP B 6 92.488 -22.079 26.600 1.00 0.00 C ATOM 920 C ASP B 6 93.208 -23.069 27.519 1.00 0.00 C ATOM 921 O ASP B 6 92.630 -23.622 28.433 1.00 0.00 O ATOM 922 CB ASP B 6 92.119 -22.778 25.288 1.00 0.00 C ATOM 923 CG ASP B 6 91.176 -23.948 25.576 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.993 -24.263 26.739 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.661 -24.514 24.625 1.00 0.00 O ATOM 0 H ASP B 6 93.628 -20.804 25.323 1.00 0.00 H new ATOM 0 HA ASP B 6 91.582 -21.715 27.084 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.641 -22.071 24.610 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.020 -23.138 24.790 1.00 0.00 H new ATOM 930 N LYS B 7 94.471 -23.292 27.275 1.00 0.00 N ATOM 931 CA LYS B 7 95.253 -24.245 28.118 1.00 0.00 C ATOM 932 C LYS B 7 95.309 -23.731 29.560 1.00 0.00 C ATOM 933 O LYS B 7 95.212 -24.493 30.502 1.00 0.00 O ATOM 934 CB LYS B 7 96.676 -24.358 27.554 1.00 0.00 C ATOM 935 CG LYS B 7 97.498 -25.348 28.389 1.00 0.00 C ATOM 936 CD LYS B 7 98.924 -25.449 27.832 1.00 0.00 C ATOM 937 CE LYS B 7 98.902 -25.977 26.391 1.00 0.00 C ATOM 938 NZ LYS B 7 100.222 -26.593 26.073 1.00 0.00 N ATOM 0 H LYS B 7 95.000 -22.852 26.522 1.00 0.00 H new ATOM 0 HA LYS B 7 94.774 -25.224 28.108 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.639 -24.689 26.516 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.156 -23.380 27.559 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.527 -25.022 29.429 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.023 -26.329 28.376 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.402 -24.470 27.859 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.520 -26.112 28.459 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.106 -26.713 26.273 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.690 -25.164 25.697 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.211 -26.952 25.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 100.971 -25.878 26.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.405 -27.379 26.729 1.00 0.00 H new ATOM 952 N ALA B 8 95.472 -22.451 29.744 1.00 0.00 N ATOM 953 CA ALA B 8 95.544 -21.903 31.127 1.00 0.00 C ATOM 954 C ALA B 8 94.257 -22.247 31.886 1.00 0.00 C ATOM 955 O ALA B 8 94.278 -22.489 33.077 1.00 0.00 O ATOM 956 CB ALA B 8 95.715 -20.382 31.066 1.00 0.00 C ATOM 0 H ALA B 8 95.558 -21.761 28.998 1.00 0.00 H new ATOM 0 HA ALA B 8 96.396 -22.343 31.646 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.768 -19.981 32.078 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.634 -20.140 30.532 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.865 -19.941 30.545 1.00 0.00 H new ATOM 962 N GLN B 9 93.136 -22.269 31.214 1.00 0.00 N ATOM 963 CA GLN B 9 91.857 -22.598 31.911 1.00 0.00 C ATOM 964 C GLN B 9 91.926 -24.003 32.518 1.00 0.00 C ATOM 965 O GLN B 9 91.480 -24.235 33.624 1.00 0.00 O ATOM 966 CB GLN B 9 90.701 -22.541 30.910 1.00 0.00 C ATOM 967 CG GLN B 9 90.446 -21.089 30.509 1.00 0.00 C ATOM 968 CD GLN B 9 89.425 -21.042 29.374 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.419 -21.895 28.510 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.549 -20.075 29.346 1.00 0.00 N ATOM 0 H GLN B 9 93.050 -22.074 30.216 1.00 0.00 H new ATOM 0 HA GLN B 9 91.696 -21.872 32.708 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.939 -23.136 30.029 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.802 -22.971 31.352 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.079 -20.524 31.366 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.378 -20.619 30.193 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.556 -19.359 30.073 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.857 -20.035 28.597 1.00 0.00 H new ATOM 979 N GLU B 10 92.470 -24.943 31.799 1.00 0.00 N ATOM 980 CA GLU B 10 92.558 -26.335 32.325 1.00 0.00 C ATOM 981 C GLU B 10 93.410 -26.366 33.597 1.00 0.00 C ATOM 982 O GLU B 10 93.112 -27.074 34.539 1.00 0.00 O ATOM 983 CB GLU B 10 93.188 -27.235 31.262 1.00 0.00 C ATOM 984 CG GLU B 10 92.207 -27.401 30.097 1.00 0.00 C ATOM 985 CD GLU B 10 92.828 -28.302 29.027 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.981 -28.667 29.183 1.00 0.00 O ATOM 987 OE2 GLU B 10 92.138 -28.609 28.068 1.00 0.00 O ATOM 0 H GLU B 10 92.859 -24.808 30.866 1.00 0.00 H new ATOM 0 HA GLU B 10 91.557 -26.693 32.565 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.122 -26.800 30.907 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.431 -28.208 31.690 1.00 0.00 H new ATOM 0 HG2 GLU B 10 91.273 -27.834 30.454 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.965 -26.427 29.671 1.00 0.00 H new ATOM 994 N GLU B 11 94.480 -25.618 33.622 1.00 0.00 N ATOM 995 CA GLU B 11 95.377 -25.612 34.819 1.00 0.00 C ATOM 996 C GLU B 11 95.022 -24.448 35.750 1.00 0.00 C ATOM 997 O GLU B 11 95.721 -24.178 36.707 1.00 0.00 O ATOM 998 CB GLU B 11 96.826 -25.454 34.351 1.00 0.00 C ATOM 999 CG GLU B 11 97.261 -26.713 33.595 1.00 0.00 C ATOM 1000 CD GLU B 11 98.709 -26.552 33.128 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.230 -25.455 33.241 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.273 -27.530 32.665 1.00 0.00 O ATOM 0 H GLU B 11 94.775 -25.006 32.861 1.00 0.00 H new ATOM 0 HA GLU B 11 95.251 -26.549 35.362 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.917 -24.580 33.706 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.479 -25.288 35.207 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.171 -27.587 34.240 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.608 -26.880 32.739 1.00 0.00 H new ATOM 1009 N CYS B 12 93.950 -23.751 35.486 1.00 0.00 N ATOM 1010 CA CYS B 12 93.575 -22.611 36.373 1.00 0.00 C ATOM 1011 C CYS B 12 93.578 -23.080 37.830 1.00 0.00 C ATOM 1012 O CYS B 12 94.089 -22.413 38.708 1.00 0.00 O ATOM 1013 CB CYS B 12 92.178 -22.109 36.005 1.00 0.00 C ATOM 1014 SG CYS B 12 91.758 -20.681 37.036 1.00 0.00 S ATOM 0 H CYS B 12 93.321 -23.919 34.701 1.00 0.00 H new ATOM 0 HA CYS B 12 94.295 -21.802 36.246 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.145 -21.832 34.951 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.445 -22.903 36.149 1.00 0.00 H new ATOM 1019 N GLU B 13 93.010 -24.223 38.088 1.00 0.00 N ATOM 1020 CA GLU B 13 92.971 -24.750 39.481 1.00 0.00 C ATOM 1021 C GLU B 13 94.399 -24.931 40.001 1.00 0.00 C ATOM 1022 O GLU B 13 94.685 -24.701 41.160 1.00 0.00 O ATOM 1023 CB GLU B 13 92.247 -26.098 39.490 1.00 0.00 C ATOM 1024 CG GLU B 13 90.760 -25.876 39.211 1.00 0.00 C ATOM 1025 CD GLU B 13 90.052 -27.227 39.088 1.00 0.00 C ATOM 1026 OE1 GLU B 13 89.608 -27.736 40.101 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.966 -27.727 37.977 1.00 0.00 O ATOM 0 H GLU B 13 92.568 -24.820 37.389 1.00 0.00 H new ATOM 0 HA GLU B 13 92.441 -24.046 40.123 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.675 -26.759 38.736 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.378 -26.588 40.455 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.312 -25.292 40.015 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.634 -25.303 38.292 1.00 0.00 H new ATOM 1034 N LYS B 14 95.294 -25.352 39.152 1.00 0.00 N ATOM 1035 CA LYS B 14 96.704 -25.565 39.584 1.00 0.00 C ATOM 1036 C LYS B 14 97.308 -24.249 40.091 1.00 0.00 C ATOM 1037 O LYS B 14 98.052 -24.232 41.052 1.00 0.00 O ATOM 1038 CB LYS B 14 97.520 -26.087 38.400 1.00 0.00 C ATOM 1039 CG LYS B 14 98.925 -26.474 38.876 1.00 0.00 C ATOM 1040 CD LYS B 14 99.717 -27.126 37.729 1.00 0.00 C ATOM 1041 CE LYS B 14 99.332 -28.606 37.581 1.00 0.00 C ATOM 1042 NZ LYS B 14 100.263 -29.265 36.620 1.00 0.00 N ATOM 0 H LYS B 14 95.108 -25.559 38.171 1.00 0.00 H new ATOM 0 HA LYS B 14 96.725 -26.294 40.394 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.025 -26.950 37.956 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.585 -25.323 37.625 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.452 -25.589 39.234 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.854 -27.164 39.717 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.519 -26.598 36.796 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.786 -27.040 37.923 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.378 -29.104 38.549 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.305 -28.693 37.227 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.004 -30.267 36.518 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.197 -28.795 35.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.237 -29.193 36.976 1.00 0.00 H new ATOM 1056 N TYR B 15 97.010 -23.148 39.451 1.00 0.00 N ATOM 1057 CA TYR B 15 97.585 -21.843 39.905 1.00 0.00 C ATOM 1058 C TYR B 15 96.726 -21.262 41.031 1.00 0.00 C ATOM 1059 O TYR B 15 97.162 -20.406 41.775 1.00 0.00 O ATOM 1060 CB TYR B 15 97.614 -20.863 38.730 1.00 0.00 C ATOM 1061 CG TYR B 15 98.653 -21.310 37.729 1.00 0.00 C ATOM 1062 CD1 TYR B 15 100.009 -21.060 37.971 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.262 -21.976 36.562 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.974 -21.476 37.046 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.226 -22.393 35.636 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.582 -22.143 35.880 1.00 0.00 C ATOM 1067 OH TYR B 15 101.533 -22.554 34.968 1.00 0.00 O ATOM 0 H TYR B 15 96.397 -23.094 38.638 1.00 0.00 H new ATOM 0 HA TYR B 15 98.598 -22.005 40.272 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.633 -20.817 38.257 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.844 -19.859 39.086 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.311 -20.546 38.872 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.216 -22.169 36.375 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.020 -21.282 37.232 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.924 -22.907 34.735 1.00 0.00 H new ATOM 0 HH TYR B 15 102.343 -22.013 35.074 1.00 0.00 H new ATOM 1077 N HIS B 16 95.517 -21.733 41.168 1.00 0.00 N ATOM 1078 CA HIS B 16 94.624 -21.232 42.256 1.00 0.00 C ATOM 1079 C HIS B 16 94.428 -19.714 42.143 1.00 0.00 C ATOM 1080 O HIS B 16 94.028 -19.202 41.116 1.00 0.00 O ATOM 1081 CB HIS B 16 95.236 -21.567 43.620 1.00 0.00 C ATOM 1082 CG HIS B 16 95.606 -23.024 43.664 1.00 0.00 C ATOM 1083 ND1 HIS B 16 96.902 -23.464 43.439 1.00 0.00 N ATOM 1084 CD2 HIS B 16 94.864 -24.153 43.914 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.902 -24.805 43.557 1.00 0.00 C ATOM 1086 NE2 HIS B 16 95.685 -25.271 43.845 1.00 0.00 N ATOM 0 H HIS B 16 95.105 -22.449 40.569 1.00 0.00 H new ATOM 0 HA HIS B 16 93.653 -21.718 42.157 1.00 0.00 H new ATOM 0 HB2 HIS B 16 96.119 -20.952 43.794 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.526 -21.338 44.414 1.00 0.00 H new ATOM 0 HD2 HIS B 16 93.806 -24.169 44.131 1.00 0.00 H new ATOM 0 HE1 HIS B 16 97.777 -25.426 43.434 1.00 0.00 H new ATOM 0 HE2 HIS B 16 95.415 -26.244 43.985 1.00 0.00 H new ATOM 1095 N SER B 17 94.685 -18.997 43.208 1.00 0.00 N ATOM 1096 CA SER B 17 94.495 -17.516 43.198 1.00 0.00 C ATOM 1097 C SER B 17 95.751 -16.811 42.677 1.00 0.00 C ATOM 1098 O SER B 17 95.773 -15.604 42.535 1.00 0.00 O ATOM 1099 CB SER B 17 94.209 -17.041 44.622 1.00 0.00 C ATOM 1100 OG SER B 17 94.090 -15.625 44.630 1.00 0.00 O ATOM 0 H SER B 17 95.021 -19.379 44.092 1.00 0.00 H new ATOM 0 HA SER B 17 93.660 -17.274 42.541 1.00 0.00 H new ATOM 0 HB2 SER B 17 93.291 -17.497 44.992 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.012 -17.354 45.290 1.00 0.00 H new ATOM 0 HG SER B 17 94.374 -15.268 43.763 1.00 0.00 H new ATOM 1106 N ASN B 18 96.797 -17.536 42.394 1.00 0.00 N ATOM 1107 CA ASN B 18 98.035 -16.874 41.890 1.00 0.00 C ATOM 1108 C ASN B 18 97.889 -16.572 40.400 1.00 0.00 C ATOM 1109 O ASN B 18 98.509 -17.200 39.565 1.00 0.00 O ATOM 1110 CB ASN B 18 99.238 -17.797 42.104 1.00 0.00 C ATOM 1111 CG ASN B 18 99.569 -17.876 43.595 1.00 0.00 C ATOM 1112 OD1 ASN B 18 99.183 -17.016 44.361 1.00 0.00 O ATOM 1113 ND2 ASN B 18 100.273 -18.880 44.042 1.00 0.00 N ATOM 0 H ASN B 18 96.850 -18.550 42.488 1.00 0.00 H new ATOM 0 HA ASN B 18 98.188 -15.943 42.436 1.00 0.00 H new ATOM 0 HB2 ASN B 18 99.018 -18.792 41.717 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.099 -17.423 41.550 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.499 -18.943 45.035 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.597 -19.602 43.399 1.00 0.00 H new ATOM 1120 N TRP B 19 97.084 -15.601 40.056 1.00 0.00 N ATOM 1121 CA TRP B 19 96.919 -15.255 38.620 1.00 0.00 C ATOM 1122 C TRP B 19 98.216 -14.612 38.125 1.00 0.00 C ATOM 1123 O TRP B 19 98.539 -14.652 36.955 1.00 0.00 O ATOM 1124 CB TRP B 19 95.760 -14.268 38.451 1.00 0.00 C ATOM 1125 CG TRP B 19 96.043 -13.020 39.224 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.662 -12.790 40.501 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.769 -11.835 38.793 1.00 0.00 C ATOM 1128 NE1 TRP B 19 96.102 -11.533 40.878 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.791 -10.906 39.858 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.400 -11.481 37.589 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.420 -9.668 39.734 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.036 -10.237 37.460 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.046 -9.331 38.530 1.00 0.00 C ATOM 0 H TRP B 19 96.537 -15.037 40.707 1.00 0.00 H new ATOM 0 HA TRP B 19 96.700 -16.154 38.044 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.623 -14.030 37.396 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.831 -14.720 38.799 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.106 -13.475 41.124 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.938 -11.120 41.796 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.396 -12.170 36.758 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.424 -8.974 40.562 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.521 -9.976 36.531 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.536 -8.375 38.424 1.00 0.00 H new ATOM 1144 N ARG B 20 98.966 -14.022 39.018 1.00 0.00 N ATOM 1145 CA ARG B 20 100.249 -13.379 38.616 1.00 0.00 C ATOM 1146 C ARG B 20 101.178 -14.423 38.000 1.00 0.00 C ATOM 1147 O ARG B 20 101.860 -14.168 37.028 1.00 0.00 O ATOM 1148 CB ARG B 20 100.921 -12.779 39.853 1.00 0.00 C ATOM 1149 CG ARG B 20 100.123 -11.567 40.338 1.00 0.00 C ATOM 1150 CD ARG B 20 100.803 -10.974 41.573 1.00 0.00 C ATOM 1151 NE ARG B 20 100.029 -9.792 42.049 1.00 0.00 N ATOM 1152 CZ ARG B 20 100.251 -9.301 43.237 1.00 0.00 C ATOM 1153 NH1 ARG B 20 101.148 -9.847 44.013 1.00 0.00 N ATOM 1154 NH2 ARG B 20 99.577 -8.263 43.649 1.00 0.00 N ATOM 0 H ARG B 20 98.743 -13.958 40.011 1.00 0.00 H new ATOM 0 HA ARG B 20 100.047 -12.596 37.885 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.982 -13.526 40.644 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.943 -12.482 39.616 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.061 -10.818 39.548 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.102 -11.862 40.578 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.864 -11.723 42.362 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.825 -10.680 41.332 1.00 0.00 H new ATOM 0 HE ARG B 20 99.325 -9.367 41.445 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.676 -10.658 43.690 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.321 -9.462 44.942 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.877 -7.836 43.042 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.750 -7.878 44.578 1.00 0.00 H new ATOM 1168 N ALA B 21 101.207 -15.598 38.559 1.00 0.00 N ATOM 1169 CA ALA B 21 102.091 -16.662 38.011 1.00 0.00 C ATOM 1170 C ALA B 21 101.607 -17.043 36.612 1.00 0.00 C ATOM 1171 O ALA B 21 102.391 -17.269 35.711 1.00 0.00 O ATOM 1172 CB ALA B 21 102.041 -17.890 38.925 1.00 0.00 C ATOM 0 H ALA B 21 100.656 -15.869 39.373 1.00 0.00 H new ATOM 0 HA ALA B 21 103.117 -16.297 37.957 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.689 -18.669 38.523 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.381 -17.615 39.923 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.018 -18.261 38.980 1.00 0.00 H new ATOM 1178 N MET B 22 100.319 -17.116 36.424 1.00 0.00 N ATOM 1179 CA MET B 22 99.776 -17.483 35.086 1.00 0.00 C ATOM 1180 C MET B 22 100.240 -16.458 34.045 1.00 0.00 C ATOM 1181 O MET B 22 100.700 -16.810 32.979 1.00 0.00 O ATOM 1182 CB MET B 22 98.248 -17.476 35.152 1.00 0.00 C ATOM 1183 CG MET B 22 97.672 -18.123 33.889 1.00 0.00 C ATOM 1184 SD MET B 22 95.927 -17.673 33.715 1.00 0.00 S ATOM 1185 CE MET B 22 95.394 -18.115 35.386 1.00 0.00 C ATOM 0 H MET B 22 99.617 -16.937 37.142 1.00 0.00 H new ATOM 0 HA MET B 22 100.133 -18.473 34.804 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.910 -18.018 36.036 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.883 -16.453 35.246 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.231 -17.795 33.013 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.774 -19.207 33.945 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.316 -18.273 35.394 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.897 -19.030 35.698 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.648 -17.309 36.074 1.00 0.00 H new ATOM 1195 N ALA B 23 100.125 -15.192 34.342 1.00 0.00 N ATOM 1196 CA ALA B 23 100.560 -14.156 33.361 1.00 0.00 C ATOM 1197 C ALA B 23 102.052 -14.339 33.049 1.00 0.00 C ATOM 1198 O ALA B 23 102.479 -14.228 31.916 1.00 0.00 O ATOM 1199 CB ALA B 23 100.315 -12.763 33.963 1.00 0.00 C ATOM 0 H ALA B 23 99.750 -14.831 35.219 1.00 0.00 H new ATOM 0 HA ALA B 23 99.991 -14.257 32.437 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.630 -11.999 33.252 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.254 -12.642 34.179 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.887 -12.659 34.885 1.00 0.00 H new ATOM 1205 N SER B 24 102.845 -14.610 34.048 1.00 0.00 N ATOM 1206 CA SER B 24 104.308 -14.793 33.819 1.00 0.00 C ATOM 1207 C SER B 24 104.552 -16.026 32.945 1.00 0.00 C ATOM 1208 O SER B 24 105.442 -16.044 32.117 1.00 0.00 O ATOM 1209 CB SER B 24 105.014 -14.970 35.163 1.00 0.00 C ATOM 1210 OG SER B 24 104.984 -13.738 35.873 1.00 0.00 O ATOM 0 H SER B 24 102.543 -14.713 35.017 1.00 0.00 H new ATOM 0 HA SER B 24 104.704 -13.914 33.310 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.524 -15.751 35.745 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.045 -15.288 35.007 1.00 0.00 H new ATOM 0 HG SER B 24 105.434 -13.847 36.737 1.00 0.00 H new ATOM 1216 N ASP B 25 103.781 -17.062 33.128 1.00 0.00 N ATOM 1217 CA ASP B 25 103.986 -18.295 32.313 1.00 0.00 C ATOM 1218 C ASP B 25 103.594 -18.036 30.857 1.00 0.00 C ATOM 1219 O ASP B 25 104.253 -18.485 29.941 1.00 0.00 O ATOM 1220 CB ASP B 25 103.112 -19.419 32.874 1.00 0.00 C ATOM 1221 CG ASP B 25 103.657 -19.866 34.232 1.00 0.00 C ATOM 1222 OD1 ASP B 25 104.820 -19.612 34.496 1.00 0.00 O ATOM 1223 OD2 ASP B 25 102.900 -20.458 34.984 1.00 0.00 O ATOM 0 H ASP B 25 103.019 -17.109 33.805 1.00 0.00 H new ATOM 0 HA ASP B 25 105.037 -18.580 32.355 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.083 -19.075 32.979 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.097 -20.261 32.182 1.00 0.00 H new ATOM 1228 N PHE B 26 102.528 -17.314 30.635 1.00 0.00 N ATOM 1229 CA PHE B 26 102.090 -17.021 29.233 1.00 0.00 C ATOM 1230 C PHE B 26 102.576 -15.624 28.829 1.00 0.00 C ATOM 1231 O PHE B 26 102.345 -15.171 27.726 1.00 0.00 O ATOM 1232 CB PHE B 26 100.564 -17.086 29.150 1.00 0.00 C ATOM 1233 CG PHE B 26 100.116 -18.522 29.318 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.006 -19.358 28.198 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.817 -19.021 30.593 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.596 -20.688 28.354 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.408 -20.351 30.747 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.297 -21.184 29.628 1.00 0.00 C ATOM 0 H PHE B 26 101.938 -16.912 31.364 1.00 0.00 H new ATOM 0 HA PHE B 26 102.516 -17.760 28.554 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.119 -16.461 29.924 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.223 -16.696 28.191 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.238 -18.976 27.215 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.902 -18.379 31.457 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.511 -21.331 27.491 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.178 -20.734 31.730 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.981 -22.210 29.748 1.00 0.00 H new ATOM 1248 N ASN B 27 103.258 -14.949 29.717 1.00 0.00 N ATOM 1249 CA ASN B 27 103.782 -13.587 29.399 1.00 0.00 C ATOM 1250 C ASN B 27 102.647 -12.672 28.927 1.00 0.00 C ATOM 1251 O ASN B 27 102.789 -11.954 27.957 1.00 0.00 O ATOM 1252 CB ASN B 27 104.844 -13.689 28.301 1.00 0.00 C ATOM 1253 CG ASN B 27 105.986 -14.589 28.776 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.417 -14.483 30.004 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.488 -15.400 28.024 1.00 0.00 N flip ATOM 0 H ASN B 27 103.476 -15.285 30.655 1.00 0.00 H new ATOM 0 HA ASN B 27 104.224 -13.163 30.301 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.403 -14.094 27.390 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.226 -12.698 28.057 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.151 -15.483 27.065 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.246 -15.998 28.352 1.00 0.00 H new ATOM 1262 N LEU B 28 101.529 -12.681 29.613 1.00 0.00 N ATOM 1263 CA LEU B 28 100.377 -11.800 29.222 1.00 0.00 C ATOM 1264 C LEU B 28 100.088 -10.833 30.379 1.00 0.00 C ATOM 1265 O LEU B 28 100.315 -11.161 31.525 1.00 0.00 O ATOM 1266 CB LEU B 28 99.138 -12.671 28.979 1.00 0.00 C ATOM 1267 CG LEU B 28 99.339 -13.544 27.727 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.377 -14.736 27.770 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.061 -12.727 26.454 1.00 0.00 C ATOM 0 H LEU B 28 101.362 -13.264 30.433 1.00 0.00 H new ATOM 0 HA LEU B 28 100.620 -11.245 28.316 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.954 -13.304 29.847 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.259 -12.039 28.853 1.00 0.00 H new ATOM 0 HG LEU B 28 100.371 -13.896 27.712 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.521 -15.352 26.883 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.575 -15.331 28.661 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.349 -14.373 27.797 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.207 -13.358 25.577 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.034 -12.364 26.472 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.745 -11.879 26.409 1.00 0.00 H new ATOM 1281 N PRO B 29 99.593 -9.649 30.097 1.00 0.00 N ATOM 1282 CA PRO B 29 99.282 -8.646 31.159 1.00 0.00 C ATOM 1283 C PRO B 29 98.062 -9.056 32.009 1.00 0.00 C ATOM 1284 O PRO B 29 97.229 -9.823 31.570 1.00 0.00 O ATOM 1285 CB PRO B 29 98.995 -7.360 30.369 1.00 0.00 C ATOM 1286 CG PRO B 29 98.520 -7.832 29.032 1.00 0.00 C ATOM 1287 CD PRO B 29 99.278 -9.132 28.751 1.00 0.00 C ATOM 0 HA PRO B 29 100.098 -8.540 31.874 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.239 -6.751 30.865 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.890 -6.744 30.276 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.443 -8.001 29.038 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.722 -7.088 28.261 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.669 -9.836 28.184 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.182 -8.951 28.169 1.00 0.00 H new ATOM 1295 N PRO B 30 97.954 -8.540 33.214 1.00 0.00 N ATOM 1296 CA PRO B 30 96.813 -8.853 34.126 1.00 0.00 C ATOM 1297 C PRO B 30 95.459 -8.881 33.402 1.00 0.00 C ATOM 1298 O PRO B 30 94.503 -9.460 33.878 1.00 0.00 O ATOM 1299 CB PRO B 30 96.840 -7.702 35.143 1.00 0.00 C ATOM 1300 CG PRO B 30 98.266 -7.237 35.192 1.00 0.00 C ATOM 1301 CD PRO B 30 98.909 -7.605 33.842 1.00 0.00 C ATOM 0 HA PRO B 30 96.919 -9.844 34.568 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.175 -6.894 34.838 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.504 -8.038 36.124 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.315 -6.161 35.361 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.799 -7.714 36.015 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.063 -6.721 33.223 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.885 -8.070 33.982 1.00 0.00 H new ATOM 1309 N VAL B 31 95.365 -8.239 32.273 1.00 0.00 N ATOM 1310 CA VAL B 31 94.067 -8.204 31.541 1.00 0.00 C ATOM 1311 C VAL B 31 93.607 -9.618 31.174 1.00 0.00 C ATOM 1312 O VAL B 31 92.474 -9.988 31.411 1.00 0.00 O ATOM 1313 CB VAL B 31 94.247 -7.384 30.261 1.00 0.00 C ATOM 1314 CG1 VAL B 31 93.014 -7.531 29.355 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.435 -5.911 30.627 1.00 0.00 C ATOM 0 H VAL B 31 96.130 -7.736 31.824 1.00 0.00 H new ATOM 0 HA VAL B 31 93.311 -7.752 32.183 1.00 0.00 H new ATOM 0 HB VAL B 31 95.124 -7.749 29.726 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.156 -6.942 28.449 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.881 -8.580 29.089 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.130 -7.175 29.884 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.564 -5.324 29.718 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.558 -5.556 31.168 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.318 -5.802 31.257 1.00 0.00 H new ATOM 1325 N VAL B 32 94.458 -10.405 30.585 1.00 0.00 N ATOM 1326 CA VAL B 32 94.034 -11.777 30.193 1.00 0.00 C ATOM 1327 C VAL B 32 93.962 -12.681 31.425 1.00 0.00 C ATOM 1328 O VAL B 32 93.040 -13.453 31.581 1.00 0.00 O ATOM 1329 CB VAL B 32 95.025 -12.356 29.185 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.587 -13.772 28.794 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.059 -11.463 27.939 1.00 0.00 C ATOM 0 H VAL B 32 95.422 -10.162 30.358 1.00 0.00 H new ATOM 0 HA VAL B 32 93.045 -11.723 29.737 1.00 0.00 H new ATOM 0 HB VAL B 32 96.019 -12.397 29.629 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.294 -14.186 28.075 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.562 -14.403 29.682 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.594 -13.735 28.347 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.765 -11.873 27.217 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.065 -11.423 27.493 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.371 -10.457 28.221 1.00 0.00 H new ATOM 1341 N ALA B 33 94.928 -12.600 32.299 1.00 0.00 N ATOM 1342 CA ALA B 33 94.904 -13.472 33.508 1.00 0.00 C ATOM 1343 C ALA B 33 93.648 -13.183 34.330 1.00 0.00 C ATOM 1344 O ALA B 33 92.937 -14.083 34.733 1.00 0.00 O ATOM 1345 CB ALA B 33 96.150 -13.210 34.356 1.00 0.00 C ATOM 0 H ALA B 33 95.728 -11.972 32.229 1.00 0.00 H new ATOM 0 HA ALA B 33 94.894 -14.517 33.197 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.130 -13.849 35.239 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.042 -13.430 33.769 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.167 -12.165 34.665 1.00 0.00 H new ATOM 1351 N LYS B 34 93.367 -11.938 34.576 1.00 0.00 N ATOM 1352 CA LYS B 34 92.153 -11.590 35.366 1.00 0.00 C ATOM 1353 C LYS B 34 90.915 -12.118 34.641 1.00 0.00 C ATOM 1354 O LYS B 34 89.983 -12.607 35.248 1.00 0.00 O ATOM 1355 CB LYS B 34 92.047 -10.067 35.491 1.00 0.00 C ATOM 1356 CG LYS B 34 93.156 -9.522 36.406 1.00 0.00 C ATOM 1357 CD LYS B 34 92.785 -9.710 37.883 1.00 0.00 C ATOM 1358 CE LYS B 34 93.819 -8.993 38.754 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.426 -9.104 40.187 1.00 0.00 N ATOM 0 H LYS B 34 93.925 -11.143 34.265 1.00 0.00 H new ATOM 0 HA LYS B 34 92.222 -12.036 36.358 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.124 -9.609 34.505 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.071 -9.796 35.893 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.094 -10.035 36.194 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.318 -8.464 36.199 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.789 -9.310 38.075 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.755 -10.771 38.131 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.805 -9.432 38.602 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.889 -7.944 38.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.129 -8.617 40.779 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.493 -8.666 40.326 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.381 -10.107 40.458 1.00 0.00 H new ATOM 1373 N GLU B 35 90.897 -12.003 33.344 1.00 0.00 N ATOM 1374 CA GLU B 35 89.719 -12.473 32.564 1.00 0.00 C ATOM 1375 C GLU B 35 89.552 -13.986 32.723 1.00 0.00 C ATOM 1376 O GLU B 35 88.452 -14.484 32.848 1.00 0.00 O ATOM 1377 CB GLU B 35 89.934 -12.135 31.088 1.00 0.00 C ATOM 1378 CG GLU B 35 88.630 -12.335 30.310 1.00 0.00 C ATOM 1379 CD GLU B 35 88.377 -13.828 30.086 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.322 -14.594 30.178 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.239 -14.181 29.821 1.00 0.00 O ATOM 0 H GLU B 35 91.651 -11.602 32.787 1.00 0.00 H new ATOM 0 HA GLU B 35 88.820 -11.979 32.933 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.272 -11.104 30.988 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.717 -12.769 30.671 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.798 -11.895 30.860 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.686 -11.820 29.351 1.00 0.00 H new ATOM 1388 N ILE B 36 90.628 -14.724 32.723 1.00 0.00 N ATOM 1389 CA ILE B 36 90.506 -16.202 32.879 1.00 0.00 C ATOM 1390 C ILE B 36 89.872 -16.492 34.241 1.00 0.00 C ATOM 1391 O ILE B 36 89.012 -17.340 34.372 1.00 0.00 O ATOM 1392 CB ILE B 36 91.892 -16.847 32.785 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.437 -16.665 31.366 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.783 -18.341 33.085 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.909 -17.079 31.324 1.00 0.00 C ATOM 0 H ILE B 36 91.580 -14.371 32.623 1.00 0.00 H new ATOM 0 HA ILE B 36 89.881 -16.617 32.088 1.00 0.00 H new ATOM 0 HB ILE B 36 92.560 -16.375 33.506 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.860 -17.267 30.664 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.332 -15.625 31.056 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.770 -18.799 33.018 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.385 -18.482 34.090 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.116 -18.810 32.362 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.295 -16.949 30.313 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.481 -16.459 32.014 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.001 -18.125 31.615 1.00 0.00 H new ATOM 1407 N VAL B 37 90.265 -15.761 35.249 1.00 0.00 N ATOM 1408 CA VAL B 37 89.664 -15.952 36.600 1.00 0.00 C ATOM 1409 C VAL B 37 88.189 -15.552 36.525 1.00 0.00 C ATOM 1410 O VAL B 37 87.326 -16.186 37.100 1.00 0.00 O ATOM 1411 CB VAL B 37 90.396 -15.051 37.602 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.645 -15.038 38.934 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.814 -15.587 37.823 1.00 0.00 C ATOM 0 H VAL B 37 90.980 -15.036 35.194 1.00 0.00 H new ATOM 0 HA VAL B 37 89.753 -16.990 36.921 1.00 0.00 H new ATOM 0 HB VAL B 37 90.443 -14.036 37.207 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.170 -14.396 39.641 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.635 -14.657 38.779 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.593 -16.051 39.332 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.337 -14.949 38.535 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.762 -16.602 38.216 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.353 -15.592 36.876 1.00 0.00 H new ATOM 1423 N ALA B 38 87.906 -14.499 35.811 1.00 0.00 N ATOM 1424 CA ALA B 38 86.500 -14.028 35.673 1.00 0.00 C ATOM 1425 C ALA B 38 85.649 -15.093 34.973 1.00 0.00 C ATOM 1426 O ALA B 38 84.436 -15.067 35.038 1.00 0.00 O ATOM 1427 CB ALA B 38 86.480 -12.740 34.846 1.00 0.00 C ATOM 0 H ALA B 38 88.597 -13.938 35.312 1.00 0.00 H new ATOM 0 HA ALA B 38 86.088 -13.842 36.665 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.453 -12.391 34.742 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.074 -11.976 35.348 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.899 -12.935 33.859 1.00 0.00 H new ATOM 1433 N SER B 39 86.267 -16.020 34.283 1.00 0.00 N ATOM 1434 CA SER B 39 85.479 -17.067 33.561 1.00 0.00 C ATOM 1435 C SER B 39 85.362 -18.327 34.419 1.00 0.00 C ATOM 1436 O SER B 39 84.360 -19.013 34.392 1.00 0.00 O ATOM 1437 CB SER B 39 86.191 -17.416 32.253 1.00 0.00 C ATOM 1438 OG SER B 39 86.175 -16.286 31.393 1.00 0.00 O ATOM 0 H SER B 39 87.280 -16.097 34.189 1.00 0.00 H new ATOM 0 HA SER B 39 84.480 -16.682 33.355 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.218 -17.719 32.455 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.698 -18.261 31.772 1.00 0.00 H new ATOM 0 HG SER B 39 86.828 -15.626 31.707 1.00 0.00 H new ATOM 1444 N CYS B 40 86.367 -18.639 35.187 1.00 0.00 N ATOM 1445 CA CYS B 40 86.286 -19.854 36.043 1.00 0.00 C ATOM 1446 C CYS B 40 85.096 -19.713 36.996 1.00 0.00 C ATOM 1447 O CYS B 40 84.865 -18.663 37.561 1.00 0.00 O ATOM 1448 CB CYS B 40 87.581 -20.007 36.840 1.00 0.00 C ATOM 1449 SG CYS B 40 87.736 -21.717 37.410 1.00 0.00 S ATOM 0 H CYS B 40 87.236 -18.109 35.259 1.00 0.00 H new ATOM 0 HA CYS B 40 86.150 -20.738 35.421 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.437 -19.740 36.220 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.580 -19.327 37.692 1.00 0.00 H new ATOM 1454 N ASP B 41 84.333 -20.755 37.166 1.00 0.00 N ATOM 1455 CA ASP B 41 83.150 -20.674 38.068 1.00 0.00 C ATOM 1456 C ASP B 41 83.581 -20.697 39.540 1.00 0.00 C ATOM 1457 O ASP B 41 83.014 -20.014 40.368 1.00 0.00 O ATOM 1458 CB ASP B 41 82.221 -21.860 37.795 1.00 0.00 C ATOM 1459 CG ASP B 41 81.558 -21.688 36.427 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.599 -20.587 35.905 1.00 0.00 O ATOM 1461 OD2 ASP B 41 81.023 -22.663 35.922 1.00 0.00 O ATOM 0 H ASP B 41 84.477 -21.661 36.719 1.00 0.00 H new ATOM 0 HA ASP B 41 82.630 -19.736 37.873 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.786 -22.792 37.822 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.461 -21.926 38.573 1.00 0.00 H new ATOM 1466 N LYS B 42 84.550 -21.501 39.879 1.00 0.00 N ATOM 1467 CA LYS B 42 84.979 -21.594 41.309 1.00 0.00 C ATOM 1468 C LYS B 42 85.708 -20.322 41.769 1.00 0.00 C ATOM 1469 O LYS B 42 85.523 -19.871 42.881 1.00 0.00 O ATOM 1470 CB LYS B 42 85.916 -22.790 41.475 1.00 0.00 C ATOM 1471 CG LYS B 42 85.123 -24.089 41.312 1.00 0.00 C ATOM 1472 CD LYS B 42 86.061 -25.286 41.478 1.00 0.00 C ATOM 1473 CE LYS B 42 85.267 -26.584 41.314 1.00 0.00 C ATOM 1474 NZ LYS B 42 84.258 -26.694 42.406 1.00 0.00 N ATOM 0 H LYS B 42 85.065 -22.098 39.232 1.00 0.00 H new ATOM 0 HA LYS B 42 84.085 -21.714 41.921 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.715 -22.744 40.735 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.389 -22.761 42.457 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.324 -24.135 42.052 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.650 -24.118 40.330 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.860 -25.240 40.738 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.533 -25.258 42.460 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.771 -26.598 40.344 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.941 -27.440 41.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.949 -27.683 42.495 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.682 -26.382 43.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.438 -26.094 42.183 1.00 0.00 H new ATOM 1488 N CYS B 43 86.542 -19.747 40.945 1.00 0.00 N ATOM 1489 CA CYS B 43 87.282 -18.519 41.379 1.00 0.00 C ATOM 1490 C CYS B 43 86.400 -17.279 41.204 1.00 0.00 C ATOM 1491 O CYS B 43 86.812 -16.172 41.489 1.00 0.00 O ATOM 1492 CB CYS B 43 88.563 -18.362 40.559 1.00 0.00 C ATOM 1493 SG CYS B 43 89.539 -19.883 40.672 1.00 0.00 S ATOM 0 H CYS B 43 86.744 -20.068 39.998 1.00 0.00 H new ATOM 0 HA CYS B 43 87.542 -18.623 42.432 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.318 -18.150 39.518 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.143 -17.516 40.928 1.00 0.00 H new ATOM 1498 N GLN B 44 85.193 -17.450 40.740 1.00 0.00 N ATOM 1499 CA GLN B 44 84.298 -16.273 40.551 1.00 0.00 C ATOM 1500 C GLN B 44 83.701 -15.860 41.900 1.00 0.00 C ATOM 1501 O GLN B 44 84.030 -14.825 42.445 1.00 0.00 O ATOM 1502 CB GLN B 44 83.167 -16.657 39.589 1.00 0.00 C ATOM 1503 CG GLN B 44 82.273 -15.444 39.307 1.00 0.00 C ATOM 1504 CD GLN B 44 83.052 -14.415 38.488 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.648 -14.745 37.483 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.074 -13.172 38.880 1.00 0.00 N ATOM 0 H GLN B 44 84.788 -18.351 40.484 1.00 0.00 H new ATOM 0 HA GLN B 44 84.868 -15.440 40.140 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.586 -17.033 38.656 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.573 -17.463 40.019 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.380 -15.755 38.765 1.00 0.00 H new ATOM 0 HG3 GLN B 44 81.938 -15.000 40.244 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.573 -12.895 39.724 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.592 -12.477 38.342 1.00 0.00 H new ATOM 1515 N LEU B 45 82.824 -16.660 42.437 1.00 0.00 N ATOM 1516 CA LEU B 45 82.196 -16.316 43.748 1.00 0.00 C ATOM 1517 C LEU B 45 83.116 -16.764 44.885 1.00 0.00 C ATOM 1518 O LEU B 45 83.708 -17.823 44.832 1.00 0.00 O ATOM 1519 CB LEU B 45 80.861 -17.054 43.878 1.00 0.00 C ATOM 1520 CG LEU B 45 79.938 -16.689 42.711 1.00 0.00 C ATOM 1521 CD1 LEU B 45 78.634 -17.484 42.839 1.00 0.00 C ATOM 1522 CD2 LEU B 45 79.633 -15.179 42.730 1.00 0.00 C ATOM 0 H LEU B 45 82.512 -17.540 42.026 1.00 0.00 H new ATOM 0 HA LEU B 45 82.035 -15.239 43.801 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.032 -18.130 43.893 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.384 -16.794 44.823 1.00 0.00 H new ATOM 0 HG LEU B 45 80.428 -16.934 41.769 1.00 0.00 H new ATOM 0 HD11 LEU B 45 77.971 -17.230 42.012 1.00 0.00 H new ATOM 0 HD12 LEU B 45 78.854 -18.551 42.813 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.148 -17.237 43.783 1.00 0.00 H new ATOM 0 HD21 LEU B 45 78.976 -14.930 41.896 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.143 -14.919 43.668 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.563 -14.619 42.639 1.00 0.00 H new ATOM 1534 N LYS B 46 83.232 -15.977 45.921 1.00 0.00 N ATOM 1535 CA LYS B 46 84.105 -16.379 47.061 1.00 0.00 C ATOM 1536 C LYS B 46 83.354 -17.385 47.934 1.00 0.00 C ATOM 1537 O LYS B 46 82.218 -17.167 48.306 1.00 0.00 O ATOM 1538 CB LYS B 46 84.457 -15.151 47.901 1.00 0.00 C ATOM 1539 CG LYS B 46 85.277 -14.172 47.061 1.00 0.00 C ATOM 1540 CD LYS B 46 85.627 -12.946 47.908 1.00 0.00 C ATOM 1541 CE LYS B 46 86.447 -11.963 47.073 1.00 0.00 C ATOM 1542 NZ LYS B 46 87.780 -12.561 46.768 1.00 0.00 N ATOM 0 H LYS B 46 82.763 -15.078 46.027 1.00 0.00 H new ATOM 0 HA LYS B 46 85.021 -16.828 46.676 1.00 0.00 H new ATOM 0 HB2 LYS B 46 83.547 -14.668 48.256 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.023 -15.451 48.783 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.188 -14.654 46.706 1.00 0.00 H new ATOM 0 HG3 LYS B 46 84.712 -13.870 46.180 1.00 0.00 H new ATOM 0 HD2 LYS B 46 84.716 -12.465 48.264 1.00 0.00 H new ATOM 0 HD3 LYS B 46 86.192 -13.250 48.789 1.00 0.00 H new ATOM 0 HE2 LYS B 46 85.921 -11.729 46.147 1.00 0.00 H new ATOM 0 HE3 LYS B 46 86.572 -11.025 47.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 88.439 -11.811 46.478 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 88.149 -13.037 47.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 87.682 -13.253 45.998 1.00 0.00 H new ATOM 1556 N GLY B 47 83.974 -18.482 48.266 1.00 0.00 N ATOM 1557 CA GLY B 47 83.284 -19.491 49.119 1.00 0.00 C ATOM 1558 C GLY B 47 81.903 -19.793 48.536 1.00 0.00 C ATOM 1559 O GLY B 47 81.734 -19.908 47.338 1.00 0.00 O ATOM 0 H GLY B 47 84.924 -18.724 47.986 1.00 0.00 H new ATOM 0 HA2 GLY B 47 83.876 -20.405 49.171 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.186 -19.116 50.138 1.00 0.00 H new ATOM 1563 N GLU B 48 80.912 -19.919 49.377 1.00 0.00 N ATOM 1564 CA GLU B 48 79.534 -20.213 48.885 1.00 0.00 C ATOM 1565 C GLU B 48 78.807 -18.897 48.600 1.00 0.00 C ATOM 1566 O GLU B 48 78.682 -18.480 47.467 1.00 0.00 O ATOM 1567 CB GLU B 48 78.774 -20.996 49.957 1.00 0.00 C ATOM 1568 CG GLU B 48 79.419 -22.372 50.134 1.00 0.00 C ATOM 1569 CD GLU B 48 78.709 -23.129 51.257 1.00 0.00 C ATOM 1570 OE1 GLU B 48 77.834 -22.547 51.877 1.00 0.00 O ATOM 1571 OE2 GLU B 48 79.057 -24.276 51.482 1.00 0.00 O ATOM 0 H GLU B 48 80.998 -19.830 50.390 1.00 0.00 H new ATOM 0 HA GLU B 48 79.587 -20.804 47.970 1.00 0.00 H new ATOM 0 HB2 GLU B 48 78.789 -20.451 50.901 1.00 0.00 H new ATOM 0 HB3 GLU B 48 77.728 -21.106 49.670 1.00 0.00 H new ATOM 0 HG2 GLU B 48 79.356 -22.937 49.204 1.00 0.00 H new ATOM 0 HG3 GLU B 48 80.478 -22.261 50.369 1.00 0.00 H new ATOM 1578 N ALA B 49 78.330 -18.239 49.622 1.00 0.00 N ATOM 1579 CA ALA B 49 77.615 -16.948 49.404 1.00 0.00 C ATOM 1580 C ALA B 49 77.469 -16.200 50.731 1.00 0.00 C ATOM 1581 O ALA B 49 77.789 -15.033 50.833 1.00 0.00 O ATOM 1582 CB ALA B 49 76.229 -17.226 48.821 1.00 0.00 C ATOM 0 H ALA B 49 78.404 -18.538 50.595 1.00 0.00 H new ATOM 0 HA ALA B 49 78.189 -16.335 48.710 1.00 0.00 H new ATOM 0 HB1 ALA B 49 75.706 -16.283 48.661 1.00 0.00 H new ATOM 0 HB2 ALA B 49 76.332 -17.749 47.870 1.00 0.00 H new ATOM 0 HB3 ALA B 49 75.660 -17.844 49.515 1.00 0.00 H new ATOM 1588 N MET B 50 76.990 -16.858 51.750 1.00 0.00 N ATOM 1589 CA MET B 50 76.830 -16.172 53.067 1.00 0.00 C ATOM 1590 C MET B 50 78.203 -15.971 53.708 1.00 0.00 C ATOM 1591 O MET B 50 79.048 -16.842 53.671 1.00 0.00 O ATOM 1592 CB MET B 50 75.964 -17.027 53.995 1.00 0.00 C ATOM 1593 CG MET B 50 75.636 -16.230 55.259 1.00 0.00 C ATOM 1594 SD MET B 50 74.611 -17.234 56.364 1.00 0.00 S ATOM 1595 CE MET B 50 74.596 -16.095 57.772 1.00 0.00 C ATOM 0 H MET B 50 76.703 -17.837 51.730 1.00 0.00 H new ATOM 0 HA MET B 50 76.351 -15.206 52.910 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.045 -17.319 53.487 1.00 0.00 H new ATOM 0 HB3 MET B 50 76.489 -17.946 54.257 1.00 0.00 H new ATOM 0 HG2 MET B 50 76.556 -15.938 55.766 1.00 0.00 H new ATOM 0 HG3 MET B 50 75.112 -15.311 54.996 1.00 0.00 H new ATOM 0 HE1 MET B 50 74.008 -16.526 58.582 1.00 0.00 H new ATOM 0 HE2 MET B 50 75.617 -15.927 58.115 1.00 0.00 H new ATOM 0 HE3 MET B 50 74.154 -15.146 57.468 1.00 0.00 H new ATOM 1605 N HIS B 51 78.434 -14.830 54.305 1.00 0.00 N ATOM 1606 CA HIS B 51 79.755 -14.580 54.954 1.00 0.00 C ATOM 1607 C HIS B 51 79.585 -13.586 56.103 1.00 0.00 C ATOM 1608 O HIS B 51 78.619 -12.850 56.167 1.00 0.00 O ATOM 1609 CB HIS B 51 80.733 -14.003 53.927 1.00 0.00 C ATOM 1610 CG HIS B 51 80.218 -12.680 53.430 1.00 0.00 C ATOM 1611 ND1 HIS B 51 80.342 -11.513 54.170 1.00 0.00 N ATOM 1612 CD2 HIS B 51 79.579 -12.323 52.268 1.00 0.00 C ATOM 1613 CE1 HIS B 51 79.791 -10.516 53.452 1.00 0.00 C ATOM 1614 NE2 HIS B 51 79.313 -10.958 52.288 1.00 0.00 N ATOM 0 H HIS B 51 77.766 -14.062 54.371 1.00 0.00 H new ATOM 0 HA HIS B 51 80.146 -15.521 55.341 1.00 0.00 H new ATOM 0 HB2 HIS B 51 81.717 -13.876 54.378 1.00 0.00 H new ATOM 0 HB3 HIS B 51 80.852 -14.695 53.093 1.00 0.00 H new ATOM 0 HD2 HIS B 51 79.323 -12.997 51.464 1.00 0.00 H new ATOM 0 HE1 HIS B 51 79.742 -9.487 53.778 1.00 0.00 H new ATOM 0 HE2 HIS B 51 78.849 -10.410 51.564 1.00 0.00 H new ATOM 1623 N GLY B 52 80.523 -13.558 57.010 1.00 0.00 N ATOM 1624 CA GLY B 52 80.438 -12.614 58.164 1.00 0.00 C ATOM 1625 C GLY B 52 81.852 -12.231 58.599 1.00 0.00 C ATOM 1626 O GLY B 52 82.140 -12.101 59.773 1.00 0.00 O ATOM 0 H GLY B 52 81.352 -14.153 57.002 1.00 0.00 H new ATOM 0 HA2 GLY B 52 79.877 -11.723 57.881 1.00 0.00 H new ATOM 0 HA3 GLY B 52 79.902 -13.079 58.992 1.00 0.00 H new ATOM 1630 N GLN B 53 82.740 -12.051 57.660 1.00 0.00 N ATOM 1631 CA GLN B 53 84.136 -11.679 58.017 1.00 0.00 C ATOM 1632 C GLN B 53 84.191 -10.184 58.330 1.00 0.00 C ATOM 1633 O GLN B 53 83.443 -9.399 57.781 1.00 0.00 O ATOM 1634 CB GLN B 53 85.059 -11.992 56.838 1.00 0.00 C ATOM 1635 CG GLN B 53 85.183 -13.508 56.678 1.00 0.00 C ATOM 1636 CD GLN B 53 86.090 -13.825 55.487 1.00 0.00 C ATOM 1637 OE1 GLN B 53 87.109 -13.191 55.297 1.00 0.00 O ATOM 1638 NE2 GLN B 53 85.753 -14.781 54.664 1.00 0.00 N ATOM 0 H GLN B 53 82.558 -12.146 56.661 1.00 0.00 H new ATOM 0 HA GLN B 53 84.460 -12.246 58.890 1.00 0.00 H new ATOM 0 HB2 GLN B 53 84.662 -11.550 55.924 1.00 0.00 H new ATOM 0 HB3 GLN B 53 86.042 -11.551 57.004 1.00 0.00 H new ATOM 0 HG2 GLN B 53 85.593 -13.948 57.587 1.00 0.00 H new ATOM 0 HG3 GLN B 53 84.198 -13.950 56.526 1.00 0.00 H new ATOM 0 HE21 GLN B 53 84.898 -15.313 54.823 1.00 0.00 H new ATOM 0 HE22 GLN B 53 86.345 -14.996 53.862 1.00 0.00 H new ATOM 1647 N VAL B 54 85.070 -9.787 59.212 1.00 0.00 N ATOM 1648 CA VAL B 54 85.185 -8.342 59.579 1.00 0.00 C ATOM 1649 C VAL B 54 86.423 -7.744 58.903 1.00 0.00 C ATOM 1650 O VAL B 54 87.505 -8.294 58.968 1.00 0.00 O ATOM 1651 CB VAL B 54 85.313 -8.226 61.099 1.00 0.00 C ATOM 1652 CG1 VAL B 54 86.625 -8.867 61.561 1.00 0.00 C ATOM 1653 CG2 VAL B 54 85.292 -6.748 61.501 1.00 0.00 C ATOM 0 H VAL B 54 85.719 -10.406 59.698 1.00 0.00 H new ATOM 0 HA VAL B 54 84.301 -7.799 59.246 1.00 0.00 H new ATOM 0 HB VAL B 54 84.478 -8.743 61.571 1.00 0.00 H new ATOM 0 HG11 VAL B 54 86.710 -8.781 62.644 1.00 0.00 H new ATOM 0 HG12 VAL B 54 86.635 -9.920 61.279 1.00 0.00 H new ATOM 0 HG13 VAL B 54 87.465 -8.357 61.089 1.00 0.00 H new ATOM 0 HG21 VAL B 54 85.383 -6.664 62.584 1.00 0.00 H new ATOM 0 HG22 VAL B 54 86.125 -6.230 61.026 1.00 0.00 H new ATOM 0 HG23 VAL B 54 84.353 -6.297 61.180 1.00 0.00 H new ATOM 1663 N ASP B 55 86.267 -6.624 58.246 1.00 0.00 N ATOM 1664 CA ASP B 55 87.425 -5.981 57.551 1.00 0.00 C ATOM 1665 C ASP B 55 87.279 -4.459 57.618 1.00 0.00 C ATOM 1666 O ASP B 55 86.535 -3.992 58.465 1.00 0.00 O ATOM 1667 CB ASP B 55 87.445 -6.420 56.082 1.00 0.00 C ATOM 1668 CG ASP B 55 87.931 -7.868 55.977 1.00 0.00 C ATOM 1669 OD1 ASP B 55 88.635 -8.304 56.871 1.00 0.00 O ATOM 1670 OD2 ASP B 55 87.589 -8.515 55.000 1.00 0.00 O ATOM 1671 OXT ASP B 55 87.914 -3.787 56.822 1.00 0.00 O ATOM 0 H ASP B 55 85.382 -6.123 58.160 1.00 0.00 H new ATOM 0 HA ASP B 55 88.352 -6.282 58.038 1.00 0.00 H new ATOM 0 HB2 ASP B 55 86.447 -6.330 55.653 1.00 0.00 H new ATOM 0 HB3 ASP B 55 88.099 -5.765 55.507 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.755 -1.776 35.828 1.00 0.00 CD HETATM 1678 CD CD B 56 89.945 -21.506 38.685 1.00 0.00 CD