USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 12 HIS HD1 : A 12 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HD1 : B 12 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Set 1.1: A 44 GLN : amide:sc= -4.95 K(o=-10,f=-9.2!) USER MOD Set 1.2: B 44 GLN : amide:sc= -5.17! C(o=-10!,f=-10!) USER MOD Single : A 1 PHE N :NH3+ 158:sc= 0.549 (180deg=0.201) USER MOD Single : A 7 LYS NZ :NH3+ -161:sc= -0.0455 (180deg=-0.415) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ -130:sc= -1.73 (180deg=-4.34!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -37:sc= 0.783 USER MOD Single : A 18 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.018) USER MOD Single : A 22 MET CE :methyl -155:sc= -0.162 (180deg=-1.22) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0259 K(o=-0.026,f=-2.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 125:sc= 0.916 USER MOD Single : A 42 LYS NZ :NH3+ -152:sc= -0.249 (180deg=-1.11) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 1 PHE N :NH3+ 159:sc= 0.534 (180deg=0.175) USER MOD Single : B 7 LYS NZ :NH3+ -131:sc= -0.0545 (180deg=-0.426) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 14 LYS NZ :NH3+ -130:sc= -1.93 (180deg=-4.47!) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -79:sc= 0.801 USER MOD Single : B 18 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.018) USER MOD Single : B 22 MET CE :methyl -157:sc= -0.135 (180deg=-1.17) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0545 K(o=-0.055,f=-2.3!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 151:sc= 0.921 USER MOD Single : B 42 LYS NZ :NH3+ -152:sc= -0.2 (180deg=-1.01) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.068 -3.502 24.008 1.00 0.00 N ATOM 2 CA PHE A 1 94.636 -4.156 25.276 1.00 0.00 C ATOM 3 C PHE A 1 94.158 -3.092 26.271 1.00 0.00 C ATOM 4 O PHE A 1 92.982 -2.811 26.383 1.00 0.00 O ATOM 5 CB PHE A 1 95.814 -4.916 25.900 1.00 0.00 C ATOM 6 CG PHE A 1 96.099 -6.186 25.130 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.867 -6.142 23.961 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.607 -7.412 25.597 1.00 0.00 C ATOM 9 CE1 PHE A 1 97.146 -7.324 23.261 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.881 -8.592 24.896 1.00 0.00 C ATOM 11 CZ PHE A 1 96.652 -8.549 23.729 1.00 0.00 C ATOM 0 H1 PHE A 1 95.717 -4.133 23.495 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.235 -3.307 23.417 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.554 -2.609 24.226 1.00 0.00 H new ATOM 0 HA PHE A 1 93.825 -4.849 25.053 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.700 -4.282 25.906 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.588 -5.157 26.939 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.245 -5.197 23.598 1.00 0.00 H new ATOM 0 HD2 PHE A 1 95.015 -7.447 26.500 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.742 -7.291 22.361 1.00 0.00 H new ATOM 0 HE2 PHE A 1 95.498 -9.535 25.256 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.866 -9.460 23.189 1.00 0.00 H new ATOM 23 N LEU A 2 95.071 -2.522 27.013 1.00 0.00 N ATOM 24 CA LEU A 2 94.691 -1.498 28.029 1.00 0.00 C ATOM 25 C LEU A 2 94.033 -0.291 27.352 1.00 0.00 C ATOM 26 O LEU A 2 93.081 0.272 27.858 1.00 0.00 O ATOM 27 CB LEU A 2 95.954 -1.031 28.758 1.00 0.00 C ATOM 28 CG LEU A 2 96.635 -2.219 29.454 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.977 -1.760 30.031 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.747 -2.760 30.587 1.00 0.00 C ATOM 0 H LEU A 2 96.069 -2.724 26.958 1.00 0.00 H new ATOM 0 HA LEU A 2 93.984 -1.939 28.732 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.643 -0.572 28.049 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.697 -0.268 29.493 1.00 0.00 H new ATOM 0 HG LEU A 2 96.794 -3.014 28.726 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.466 -2.599 30.527 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.613 -1.394 29.225 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.809 -0.960 30.752 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.245 -3.601 31.069 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.573 -1.973 31.320 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.793 -3.090 30.176 1.00 0.00 H new ATOM 42 N ASP A 3 94.534 0.121 26.221 1.00 0.00 N ATOM 43 CA ASP A 3 93.937 1.302 25.528 1.00 0.00 C ATOM 44 C ASP A 3 92.514 0.984 25.074 1.00 0.00 C ATOM 45 O ASP A 3 91.622 1.801 25.182 1.00 0.00 O ATOM 46 CB ASP A 3 94.783 1.651 24.307 1.00 0.00 C ATOM 47 CG ASP A 3 96.127 2.225 24.758 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.993 1.447 25.121 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.270 3.437 24.726 1.00 0.00 O ATOM 0 H ASP A 3 95.329 -0.306 25.746 1.00 0.00 H new ATOM 0 HA ASP A 3 93.913 2.144 26.220 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.943 0.762 23.697 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.258 2.375 23.684 1.00 0.00 H new ATOM 54 N GLY A 4 92.290 -0.196 24.573 1.00 0.00 N ATOM 55 CA GLY A 4 90.920 -0.562 24.118 1.00 0.00 C ATOM 56 C GLY A 4 89.967 -0.484 25.308 1.00 0.00 C ATOM 57 O GLY A 4 88.837 -0.051 25.192 1.00 0.00 O ATOM 0 H GLY A 4 92.995 -0.924 24.458 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.592 0.113 23.328 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.918 -1.568 23.699 1.00 0.00 H new ATOM 61 N ILE A 5 90.424 -0.905 26.452 1.00 0.00 N ATOM 62 CA ILE A 5 89.570 -0.871 27.670 1.00 0.00 C ATOM 63 C ILE A 5 89.268 0.577 28.068 1.00 0.00 C ATOM 64 O ILE A 5 88.174 0.896 28.491 1.00 0.00 O ATOM 65 CB ILE A 5 90.305 -1.585 28.810 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.354 -3.087 28.519 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.581 -1.345 30.138 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.300 -3.770 29.508 1.00 0.00 C ATOM 0 H ILE A 5 91.363 -1.275 26.597 1.00 0.00 H new ATOM 0 HA ILE A 5 88.625 -1.375 27.466 1.00 0.00 H new ATOM 0 HB ILE A 5 91.318 -1.190 28.883 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.355 -3.516 28.600 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.693 -3.259 27.498 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.113 -1.857 30.940 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.551 -0.276 30.348 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.564 -1.731 30.073 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.334 -4.839 29.300 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.300 -3.348 29.405 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.941 -3.610 30.525 1.00 0.00 H new ATOM 80 N ASP A 6 90.230 1.450 27.968 1.00 0.00 N ATOM 81 CA ASP A 6 89.988 2.862 28.379 1.00 0.00 C ATOM 82 C ASP A 6 88.859 3.472 27.546 1.00 0.00 C ATOM 83 O ASP A 6 88.004 4.161 28.064 1.00 0.00 O ATOM 84 CB ASP A 6 91.266 3.676 28.175 1.00 0.00 C ATOM 85 CG ASP A 6 92.297 3.277 29.232 1.00 0.00 C ATOM 86 OD1 ASP A 6 91.898 3.028 30.357 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.469 3.227 28.898 1.00 0.00 O ATOM 0 H ASP A 6 91.168 1.250 27.622 1.00 0.00 H new ATOM 0 HA ASP A 6 89.701 2.880 29.430 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.666 3.501 27.176 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.047 4.741 28.248 1.00 0.00 H new ATOM 92 N LYS A 7 88.834 3.224 26.269 1.00 0.00 N ATOM 93 CA LYS A 7 87.739 3.798 25.439 1.00 0.00 C ATOM 94 C LYS A 7 86.429 3.098 25.805 1.00 0.00 C ATOM 95 O LYS A 7 85.385 3.711 25.905 1.00 0.00 O ATOM 96 CB LYS A 7 88.043 3.565 23.957 1.00 0.00 C ATOM 97 CG LYS A 7 89.230 4.431 23.527 1.00 0.00 C ATOM 98 CD LYS A 7 89.523 4.188 22.044 1.00 0.00 C ATOM 99 CE LYS A 7 90.709 5.048 21.603 1.00 0.00 C ATOM 100 NZ LYS A 7 90.351 6.490 21.711 1.00 0.00 N ATOM 0 H LYS A 7 89.516 2.655 25.767 1.00 0.00 H new ATOM 0 HA LYS A 7 87.656 4.869 25.624 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.268 2.513 23.784 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.168 3.807 23.355 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.007 5.484 23.698 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.107 4.190 24.127 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.744 3.134 21.875 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.644 4.430 21.446 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.578 4.832 22.224 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.983 4.807 20.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.002 7.054 21.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 89.376 6.632 21.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.424 6.793 22.703 1.00 0.00 H new ATOM 114 N ALA A 8 86.493 1.812 26.015 1.00 0.00 N ATOM 115 CA ALA A 8 85.274 1.036 26.386 1.00 0.00 C ATOM 116 C ALA A 8 84.827 1.396 27.806 1.00 0.00 C ATOM 117 O ALA A 8 83.651 1.485 28.095 1.00 0.00 O ATOM 118 CB ALA A 8 85.589 -0.459 26.324 1.00 0.00 C ATOM 0 H ALA A 8 87.347 1.259 25.945 1.00 0.00 H new ATOM 0 HA ALA A 8 84.473 1.280 25.688 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.701 -1.030 26.595 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.897 -0.724 25.313 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.395 -0.690 27.021 1.00 0.00 H new ATOM 124 N GLN A 9 85.761 1.569 28.702 1.00 0.00 N ATOM 125 CA GLN A 9 85.397 1.882 30.112 1.00 0.00 C ATOM 126 C GLN A 9 84.642 3.211 30.174 1.00 0.00 C ATOM 127 O GLN A 9 85.010 4.180 29.539 1.00 0.00 O ATOM 128 CB GLN A 9 86.674 1.974 30.951 1.00 0.00 C ATOM 129 CG GLN A 9 86.312 2.203 32.420 1.00 0.00 C ATOM 130 CD GLN A 9 87.590 2.279 33.255 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.667 2.002 32.765 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.515 2.629 34.511 1.00 0.00 N ATOM 0 H GLN A 9 86.762 1.507 28.517 1.00 0.00 H new ATOM 0 HA GLN A 9 84.755 1.093 30.505 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.255 1.057 30.848 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.300 2.790 30.589 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.741 3.126 32.525 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.678 1.393 32.780 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.611 2.862 34.923 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.360 2.670 35.080 1.00 0.00 H new ATOM 141 N GLU A 10 83.583 3.257 30.937 1.00 0.00 N ATOM 142 CA GLU A 10 82.791 4.515 31.050 1.00 0.00 C ATOM 143 C GLU A 10 81.976 4.472 32.354 1.00 0.00 C ATOM 144 O GLU A 10 82.370 3.848 33.319 1.00 0.00 O ATOM 145 CB GLU A 10 81.854 4.628 29.830 1.00 0.00 C ATOM 146 CG GLU A 10 81.617 6.101 29.471 1.00 0.00 C ATOM 147 CD GLU A 10 80.687 6.186 28.260 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.390 5.148 27.693 1.00 0.00 O ATOM 149 OE2 GLU A 10 80.284 7.288 27.922 1.00 0.00 O ATOM 0 H GLU A 10 83.231 2.474 31.489 1.00 0.00 H new ATOM 0 HA GLU A 10 83.450 5.383 31.071 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.291 4.106 28.979 1.00 0.00 H new ATOM 0 HB3 GLU A 10 80.903 4.143 30.048 1.00 0.00 H new ATOM 0 HG2 GLU A 10 81.177 6.627 30.318 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.566 6.590 29.250 1.00 0.00 H new ATOM 156 N GLU A 11 80.848 5.126 32.389 1.00 0.00 N ATOM 157 CA GLU A 11 80.015 5.118 33.626 1.00 0.00 C ATOM 158 C GLU A 11 79.195 3.826 33.688 1.00 0.00 C ATOM 159 O GLU A 11 78.947 3.188 32.684 1.00 0.00 O ATOM 160 CB GLU A 11 79.064 6.316 33.609 1.00 0.00 C ATOM 161 CG GLU A 11 79.863 7.612 33.755 1.00 0.00 C ATOM 162 CD GLU A 11 78.913 8.808 33.670 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.392 9.051 32.594 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.723 9.461 34.682 1.00 0.00 O ATOM 0 H GLU A 11 80.466 5.667 31.613 1.00 0.00 H new ATOM 0 HA GLU A 11 80.667 5.178 34.497 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.498 6.330 32.678 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.341 6.230 34.420 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.392 7.621 34.708 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.618 7.677 32.971 1.00 0.00 H new ATOM 171 N HIS A 12 78.765 3.442 34.860 1.00 0.00 N ATOM 172 CA HIS A 12 77.951 2.199 34.991 1.00 0.00 C ATOM 173 C HIS A 12 76.513 2.500 34.557 1.00 0.00 C ATOM 174 O HIS A 12 75.614 2.594 35.370 1.00 0.00 O ATOM 175 CB HIS A 12 77.974 1.746 36.455 1.00 0.00 C ATOM 176 CG HIS A 12 77.119 0.521 36.643 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.606 -0.767 36.446 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.813 0.371 37.043 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.606 -1.627 36.732 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.497 -0.982 37.099 1.00 0.00 N ATOM 0 H HIS A 12 78.943 3.937 35.734 1.00 0.00 H new ATOM 0 HA HIS A 12 78.358 1.408 34.362 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.999 1.531 36.759 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.613 2.550 37.096 1.00 0.00 H new ATOM 0 HD2 HIS A 12 75.136 1.179 37.278 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.692 -2.702 36.671 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.603 -1.395 37.365 1.00 0.00 H new ATOM 188 N GLU A 13 76.296 2.664 33.274 1.00 0.00 N ATOM 189 CA GLU A 13 74.923 2.976 32.760 1.00 0.00 C ATOM 190 C GLU A 13 74.271 1.700 32.206 1.00 0.00 C ATOM 191 O GLU A 13 74.526 0.606 32.668 1.00 0.00 O ATOM 192 CB GLU A 13 75.035 4.037 31.646 1.00 0.00 C ATOM 193 CG GLU A 13 73.754 4.884 31.585 1.00 0.00 C ATOM 194 CD GLU A 13 73.664 5.589 30.229 1.00 0.00 C ATOM 195 OE1 GLU A 13 74.613 5.490 29.468 1.00 0.00 O ATOM 196 OE2 GLU A 13 72.648 6.216 29.974 1.00 0.00 O ATOM 0 H GLU A 13 77.016 2.595 32.555 1.00 0.00 H new ATOM 0 HA GLU A 13 74.305 3.361 33.571 1.00 0.00 H new ATOM 0 HB2 GLU A 13 75.895 4.680 31.832 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.203 3.549 30.686 1.00 0.00 H new ATOM 0 HG2 GLU A 13 72.880 4.250 31.734 1.00 0.00 H new ATOM 0 HG3 GLU A 13 73.755 5.620 32.389 1.00 0.00 H new ATOM 203 N LYS A 14 73.423 1.844 31.222 1.00 0.00 N ATOM 204 CA LYS A 14 72.736 0.661 30.628 1.00 0.00 C ATOM 205 C LYS A 14 73.743 -0.186 29.846 1.00 0.00 C ATOM 206 O LYS A 14 73.624 -1.392 29.762 1.00 0.00 O ATOM 207 CB LYS A 14 71.642 1.140 29.672 1.00 0.00 C ATOM 208 CG LYS A 14 70.502 1.775 30.470 1.00 0.00 C ATOM 209 CD LYS A 14 69.506 2.439 29.511 1.00 0.00 C ATOM 210 CE LYS A 14 68.884 1.389 28.582 1.00 0.00 C ATOM 211 NZ LYS A 14 69.797 1.136 27.430 1.00 0.00 N ATOM 0 H LYS A 14 73.175 2.739 30.801 1.00 0.00 H new ATOM 0 HA LYS A 14 72.299 0.062 31.427 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.052 1.863 28.967 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.266 0.302 29.086 1.00 0.00 H new ATOM 0 HG2 LYS A 14 69.996 1.016 31.067 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.900 2.514 31.165 1.00 0.00 H new ATOM 0 HD2 LYS A 14 68.723 2.942 30.079 1.00 0.00 H new ATOM 0 HD3 LYS A 14 70.012 3.203 28.921 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.708 0.463 29.130 1.00 0.00 H new ATOM 0 HE3 LYS A 14 67.915 1.736 28.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 69.261 1.203 26.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 70.559 1.844 27.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 70.209 0.185 27.516 1.00 0.00 H new ATOM 225 N TYR A 15 74.721 0.442 29.256 1.00 0.00 N ATOM 226 CA TYR A 15 75.727 -0.313 28.456 1.00 0.00 C ATOM 227 C TYR A 15 76.444 -1.331 29.343 1.00 0.00 C ATOM 228 O TYR A 15 76.712 -2.441 28.927 1.00 0.00 O ATOM 229 CB TYR A 15 76.737 0.672 27.849 1.00 0.00 C ATOM 230 CG TYR A 15 76.125 1.301 26.620 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.361 2.466 26.740 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.300 0.703 25.368 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.771 3.034 25.608 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.716 1.272 24.232 1.00 0.00 C ATOM 235 CZ TYR A 15 74.948 2.439 24.352 1.00 0.00 C ATOM 236 OH TYR A 15 74.363 2.998 23.236 1.00 0.00 O ATOM 0 H TYR A 15 74.868 1.451 29.293 1.00 0.00 H new ATOM 0 HA TYR A 15 75.224 -0.850 27.652 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.998 1.441 28.576 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.660 0.154 27.588 1.00 0.00 H new ATOM 0 HD1 TYR A 15 75.227 2.927 27.708 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.887 -0.199 25.278 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.178 3.932 25.701 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.856 0.814 23.264 1.00 0.00 H new ATOM 0 HH TYR A 15 74.586 2.462 22.446 1.00 0.00 H new ATOM 246 N HIS A 16 76.756 -0.981 30.559 1.00 0.00 N ATOM 247 CA HIS A 16 77.452 -1.960 31.440 1.00 0.00 C ATOM 248 C HIS A 16 76.569 -3.200 31.612 1.00 0.00 C ATOM 249 O HIS A 16 77.053 -4.316 31.613 1.00 0.00 O ATOM 250 CB HIS A 16 77.716 -1.324 32.816 1.00 0.00 C ATOM 251 CG HIS A 16 78.990 -0.521 32.784 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.833 -0.432 33.885 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.581 0.229 31.798 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.873 0.347 33.539 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.766 0.774 32.279 1.00 0.00 N ATOM 0 H HIS A 16 76.562 -0.071 30.978 1.00 0.00 H new ATOM 0 HA HIS A 16 78.402 -2.244 30.988 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.880 -0.682 33.094 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.787 -2.102 33.576 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.187 0.373 30.803 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.692 0.596 34.198 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.418 1.375 31.774 1.00 0.00 H new ATOM 263 N SER A 17 75.284 -3.028 31.755 1.00 0.00 N ATOM 264 CA SER A 17 74.405 -4.217 31.921 1.00 0.00 C ATOM 265 C SER A 17 74.528 -5.111 30.683 1.00 0.00 C ATOM 266 O SER A 17 74.626 -6.317 30.787 1.00 0.00 O ATOM 267 CB SER A 17 72.953 -3.767 32.097 1.00 0.00 C ATOM 268 OG SER A 17 72.493 -3.173 30.890 1.00 0.00 O ATOM 0 H SER A 17 74.809 -2.125 31.764 1.00 0.00 H new ATOM 0 HA SER A 17 74.710 -4.777 32.805 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.326 -4.619 32.358 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.879 -3.054 32.918 1.00 0.00 H new ATOM 0 HG SER A 17 73.220 -2.658 30.481 1.00 0.00 H new ATOM 274 N ASN A 18 74.540 -4.529 29.510 1.00 0.00 N ATOM 275 CA ASN A 18 74.677 -5.346 28.264 1.00 0.00 C ATOM 276 C ASN A 18 76.145 -5.372 27.832 1.00 0.00 C ATOM 277 O ASN A 18 76.585 -4.546 27.057 1.00 0.00 O ATOM 278 CB ASN A 18 73.835 -4.721 27.146 1.00 0.00 C ATOM 279 CG ASN A 18 72.348 -4.900 27.457 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.576 -3.968 27.341 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.911 -6.066 27.848 1.00 0.00 N ATOM 0 H ASN A 18 74.461 -3.523 29.361 1.00 0.00 H new ATOM 0 HA ASN A 18 74.332 -6.362 28.458 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.071 -3.661 27.049 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.075 -5.189 26.192 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.921 -6.196 28.057 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.559 -6.847 27.945 1.00 0.00 H new ATOM 288 N TRP A 19 76.910 -6.310 28.319 1.00 0.00 N ATOM 289 CA TRP A 19 78.344 -6.373 27.919 1.00 0.00 C ATOM 290 C TRP A 19 78.445 -6.803 26.454 1.00 0.00 C ATOM 291 O TRP A 19 79.380 -6.457 25.759 1.00 0.00 O ATOM 292 CB TRP A 19 79.107 -7.354 28.816 1.00 0.00 C ATOM 293 CG TRP A 19 78.672 -8.759 28.549 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.790 -9.452 29.303 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.094 -9.657 27.480 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.644 -10.719 28.767 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.425 -10.893 27.643 1.00 0.00 C ATOM 298 CE3 TRP A 19 79.980 -9.521 26.394 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.630 -11.956 26.765 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.187 -10.590 25.508 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.513 -11.806 25.694 1.00 0.00 C ATOM 0 H TRP A 19 76.607 -7.032 28.973 1.00 0.00 H new ATOM 0 HA TRP A 19 78.792 -5.386 28.036 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.178 -7.259 28.639 1.00 0.00 H new ATOM 0 HB3 TRP A 19 78.934 -7.107 29.864 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.283 -9.078 30.180 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.033 -11.437 29.156 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.503 -8.589 26.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.109 -12.890 26.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.869 -10.476 24.678 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.677 -12.625 25.010 1.00 0.00 H new ATOM 312 N ARG A 20 77.495 -7.563 25.979 1.00 0.00 N ATOM 313 CA ARG A 20 77.547 -8.019 24.561 1.00 0.00 C ATOM 314 C ARG A 20 77.535 -6.809 23.620 1.00 0.00 C ATOM 315 O ARG A 20 78.237 -6.780 22.629 1.00 0.00 O ATOM 316 CB ARG A 20 76.322 -8.893 24.268 1.00 0.00 C ATOM 317 CG ARG A 20 76.444 -10.225 25.011 1.00 0.00 C ATOM 318 CD ARG A 20 75.215 -11.089 24.712 1.00 0.00 C ATOM 319 NE ARG A 20 73.998 -10.425 25.260 1.00 0.00 N ATOM 320 CZ ARG A 20 72.812 -10.804 24.867 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.689 -11.750 23.976 1.00 0.00 N ATOM 322 NH2 ARG A 20 71.748 -10.231 25.361 1.00 0.00 N ATOM 0 H ARG A 20 76.687 -7.887 26.511 1.00 0.00 H new ATOM 0 HA ARG A 20 78.462 -8.590 24.402 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.413 -8.376 24.577 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.239 -9.071 23.196 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.351 -10.744 24.702 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.527 -10.049 26.084 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.111 -11.233 23.637 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.335 -12.077 25.156 1.00 0.00 H new ATOM 0 HE ARG A 20 74.092 -9.673 25.943 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.520 -12.194 23.586 1.00 0.00 H new ATOM 0 HH12 ARG A 20 71.762 -12.045 23.670 1.00 0.00 H new ATOM 0 HH21 ARG A 20 71.844 -9.488 26.053 1.00 0.00 H new ATOM 0 HH22 ARG A 20 70.821 -10.526 25.055 1.00 0.00 H new ATOM 336 N ALA A 21 76.749 -5.812 23.919 1.00 0.00 N ATOM 337 CA ALA A 21 76.705 -4.611 23.033 1.00 0.00 C ATOM 338 C ALA A 21 78.083 -3.947 23.002 1.00 0.00 C ATOM 339 O ALA A 21 78.540 -3.491 21.974 1.00 0.00 O ATOM 340 CB ALA A 21 75.673 -3.612 23.566 1.00 0.00 C ATOM 0 H ALA A 21 76.137 -5.775 24.734 1.00 0.00 H new ATOM 0 HA ALA A 21 76.424 -4.919 22.026 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.644 -2.737 22.916 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.689 -4.081 23.587 1.00 0.00 H new ATOM 0 HB3 ALA A 21 75.950 -3.306 24.575 1.00 0.00 H new ATOM 346 N MET A 22 78.746 -3.883 24.125 1.00 0.00 N ATOM 347 CA MET A 22 80.091 -3.241 24.159 1.00 0.00 C ATOM 348 C MET A 22 81.035 -3.993 23.225 1.00 0.00 C ATOM 349 O MET A 22 81.791 -3.403 22.482 1.00 0.00 O ATOM 350 CB MET A 22 80.649 -3.301 25.582 1.00 0.00 C ATOM 351 CG MET A 22 81.896 -2.416 25.686 1.00 0.00 C ATOM 352 SD MET A 22 82.829 -2.848 27.176 1.00 0.00 S ATOM 353 CE MET A 22 81.479 -2.673 28.366 1.00 0.00 C ATOM 0 H MET A 22 78.415 -4.247 25.019 1.00 0.00 H new ATOM 0 HA MET A 22 80.003 -2.202 23.840 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.894 -2.967 26.293 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.899 -4.330 25.842 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.521 -2.547 24.803 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.607 -1.366 25.718 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.889 -2.456 29.352 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.825 -1.857 28.057 1.00 0.00 H new ATOM 0 HE3 MET A 22 80.907 -3.600 28.407 1.00 0.00 H new ATOM 363 N ALA A 23 81.002 -5.294 23.264 1.00 0.00 N ATOM 364 CA ALA A 23 81.903 -6.081 22.382 1.00 0.00 C ATOM 365 C ALA A 23 81.561 -5.785 20.921 1.00 0.00 C ATOM 366 O ALA A 23 82.431 -5.629 20.087 1.00 0.00 O ATOM 367 CB ALA A 23 81.712 -7.573 22.664 1.00 0.00 C ATOM 0 H ALA A 23 80.391 -5.845 23.867 1.00 0.00 H new ATOM 0 HA ALA A 23 82.940 -5.807 22.575 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.372 -8.153 22.018 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.952 -7.780 23.707 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.676 -7.851 22.468 1.00 0.00 H new ATOM 373 N SER A 24 80.297 -5.706 20.605 1.00 0.00 N ATOM 374 CA SER A 24 79.894 -5.418 19.198 1.00 0.00 C ATOM 375 C SER A 24 80.273 -3.981 18.831 1.00 0.00 C ATOM 376 O SER A 24 80.719 -3.708 17.735 1.00 0.00 O ATOM 377 CB SER A 24 78.380 -5.590 19.057 1.00 0.00 C ATOM 378 OG SER A 24 78.048 -6.967 19.181 1.00 0.00 O ATOM 0 H SER A 24 79.525 -5.828 21.260 1.00 0.00 H new ATOM 0 HA SER A 24 80.409 -6.109 18.531 1.00 0.00 H new ATOM 0 HB2 SER A 24 77.864 -5.010 19.822 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.048 -5.210 18.091 1.00 0.00 H new ATOM 0 HG SER A 24 77.078 -7.079 19.093 1.00 0.00 H new ATOM 384 N ASP A 25 80.090 -3.061 19.738 1.00 0.00 N ATOM 385 CA ASP A 25 80.430 -1.639 19.439 1.00 0.00 C ATOM 386 C ASP A 25 81.917 -1.501 19.117 1.00 0.00 C ATOM 387 O ASP A 25 82.301 -0.759 18.234 1.00 0.00 O ATOM 388 CB ASP A 25 80.099 -0.768 20.652 1.00 0.00 C ATOM 389 CG ASP A 25 80.450 0.688 20.340 1.00 0.00 C ATOM 390 OD1 ASP A 25 79.592 1.389 19.830 1.00 0.00 O ATOM 391 OD2 ASP A 25 81.575 1.076 20.614 1.00 0.00 O ATOM 0 H ASP A 25 79.720 -3.231 20.673 1.00 0.00 H new ATOM 0 HA ASP A 25 79.847 -1.316 18.577 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.041 -0.854 20.898 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.658 -1.110 21.523 1.00 0.00 H new ATOM 396 N PHE A 26 82.757 -2.197 19.833 1.00 0.00 N ATOM 397 CA PHE A 26 84.231 -2.099 19.587 1.00 0.00 C ATOM 398 C PHE A 26 84.713 -3.307 18.783 1.00 0.00 C ATOM 399 O PHE A 26 85.877 -3.416 18.456 1.00 0.00 O ATOM 400 CB PHE A 26 84.953 -2.057 20.934 1.00 0.00 C ATOM 401 CG PHE A 26 84.696 -0.725 21.597 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.482 0.385 21.263 1.00 0.00 C ATOM 403 CD2 PHE A 26 83.671 -0.597 22.544 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.245 1.620 21.875 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.435 0.640 23.156 1.00 0.00 C ATOM 406 CZ PHE A 26 84.221 1.749 22.822 1.00 0.00 C ATOM 0 H PHE A 26 82.488 -2.834 20.583 1.00 0.00 H new ATOM 0 HA PHE A 26 84.446 -1.194 19.019 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.603 -2.868 21.573 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.023 -2.204 20.791 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.271 0.287 20.533 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.063 -1.452 22.802 1.00 0.00 H new ATOM 0 HE1 PHE A 26 85.852 2.475 21.617 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.646 0.739 23.887 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.038 2.703 23.294 1.00 0.00 H new ATOM 416 N ASN A 27 83.825 -4.206 18.456 1.00 0.00 N ATOM 417 CA ASN A 27 84.220 -5.407 17.662 1.00 0.00 C ATOM 418 C ASN A 27 85.343 -6.166 18.380 1.00 0.00 C ATOM 419 O ASN A 27 86.276 -6.638 17.762 1.00 0.00 O ATOM 420 CB ASN A 27 84.682 -4.982 16.264 1.00 0.00 C ATOM 421 CG ASN A 27 83.478 -4.476 15.467 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.349 -4.789 15.790 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.670 -3.698 14.438 1.00 0.00 N ATOM 0 H ASN A 27 82.837 -4.161 18.706 1.00 0.00 H new ATOM 0 HA ASN A 27 83.357 -6.066 17.564 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.437 -4.200 16.340 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.146 -5.824 15.750 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.873 -3.352 13.904 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.618 -3.435 14.167 1.00 0.00 H new ATOM 430 N LEU A 28 85.246 -6.295 19.682 1.00 0.00 N ATOM 431 CA LEU A 28 86.288 -7.036 20.469 1.00 0.00 C ATOM 432 C LEU A 28 85.636 -8.303 21.038 1.00 0.00 C ATOM 433 O LEU A 28 84.446 -8.325 21.281 1.00 0.00 O ATOM 434 CB LEU A 28 86.765 -6.156 21.633 1.00 0.00 C ATOM 435 CG LEU A 28 87.388 -4.860 21.100 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.502 -3.849 22.242 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.788 -5.132 20.527 1.00 0.00 C ATOM 0 H LEU A 28 84.482 -5.915 20.240 1.00 0.00 H new ATOM 0 HA LEU A 28 87.137 -7.289 19.834 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.926 -5.922 22.288 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.496 -6.699 22.233 1.00 0.00 H new ATOM 0 HG LEU A 28 86.752 -4.464 20.308 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.945 -2.926 21.868 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.510 -3.640 22.643 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.133 -4.260 23.030 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.215 -4.201 20.153 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.429 -5.537 21.310 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.714 -5.851 19.711 1.00 0.00 H new ATOM 449 N PRO A 29 86.388 -9.358 21.247 1.00 0.00 N ATOM 450 CA PRO A 29 85.821 -10.628 21.793 1.00 0.00 C ATOM 451 C PRO A 29 85.402 -10.481 23.271 1.00 0.00 C ATOM 452 O PRO A 29 85.983 -9.704 24.002 1.00 0.00 O ATOM 453 CB PRO A 29 86.975 -11.634 21.642 1.00 0.00 C ATOM 454 CG PRO A 29 88.214 -10.799 21.658 1.00 0.00 C ATOM 455 CD PRO A 29 87.837 -9.476 20.989 1.00 0.00 C ATOM 0 HA PRO A 29 84.915 -10.936 21.271 1.00 0.00 H new ATOM 0 HB2 PRO A 29 86.976 -12.359 22.456 1.00 0.00 H new ATOM 0 HB3 PRO A 29 86.890 -12.197 20.713 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.562 -10.636 22.678 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.024 -11.292 21.120 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.390 -8.639 21.416 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.054 -9.490 19.921 1.00 0.00 H new ATOM 463 N PRO A 30 84.403 -11.216 23.711 1.00 0.00 N ATOM 464 CA PRO A 30 83.921 -11.148 25.121 1.00 0.00 C ATOM 465 C PRO A 30 85.075 -11.060 26.132 1.00 0.00 C ATOM 466 O PRO A 30 84.895 -10.658 27.261 1.00 0.00 O ATOM 467 CB PRO A 30 83.160 -12.470 25.302 1.00 0.00 C ATOM 468 CG PRO A 30 82.670 -12.844 23.934 1.00 0.00 C ATOM 469 CD PRO A 30 83.623 -12.190 22.918 1.00 0.00 C ATOM 0 HA PRO A 30 83.315 -10.259 25.298 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.810 -13.244 25.711 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.329 -12.352 25.997 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.660 -13.927 23.811 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.648 -12.497 23.783 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.272 -12.930 22.450 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.071 -11.698 22.117 1.00 0.00 H new ATOM 477 N VAL A 31 86.247 -11.469 25.742 1.00 0.00 N ATOM 478 CA VAL A 31 87.397 -11.453 26.689 1.00 0.00 C ATOM 479 C VAL A 31 87.681 -10.035 27.189 1.00 0.00 C ATOM 480 O VAL A 31 87.804 -9.806 28.375 1.00 0.00 O ATOM 481 CB VAL A 31 88.627 -12.010 25.964 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.889 -11.788 26.803 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.431 -13.507 25.727 1.00 0.00 C ATOM 0 H VAL A 31 86.461 -11.815 24.806 1.00 0.00 H new ATOM 0 HA VAL A 31 87.157 -12.067 27.557 1.00 0.00 H new ATOM 0 HB VAL A 31 88.744 -11.492 25.012 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.753 -12.189 26.274 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.031 -10.720 26.972 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.783 -12.296 27.762 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.302 -13.911 25.211 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.308 -14.014 26.684 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.542 -13.665 25.116 1.00 0.00 H new ATOM 493 N VAL A 32 87.790 -9.083 26.314 1.00 0.00 N ATOM 494 CA VAL A 32 88.067 -7.698 26.782 1.00 0.00 C ATOM 495 C VAL A 32 86.841 -7.143 27.513 1.00 0.00 C ATOM 496 O VAL A 32 86.956 -6.486 28.532 1.00 0.00 O ATOM 497 CB VAL A 32 88.425 -6.820 25.580 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.472 -5.349 25.999 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.803 -7.239 25.057 1.00 0.00 C ATOM 0 H VAL A 32 87.701 -9.198 25.304 1.00 0.00 H new ATOM 0 HA VAL A 32 88.907 -7.704 27.476 1.00 0.00 H new ATOM 0 HB VAL A 32 87.671 -6.944 24.803 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.727 -4.733 25.137 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.497 -5.049 26.383 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.225 -5.216 26.776 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.070 -6.621 24.200 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.546 -7.109 25.844 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.774 -8.286 24.755 1.00 0.00 H new ATOM 509 N ALA A 33 85.667 -7.408 27.011 1.00 0.00 N ATOM 510 CA ALA A 33 84.438 -6.900 27.686 1.00 0.00 C ATOM 511 C ALA A 33 84.273 -7.579 29.051 1.00 0.00 C ATOM 512 O ALA A 33 83.899 -6.953 30.023 1.00 0.00 O ATOM 513 CB ALA A 33 83.215 -7.196 26.814 1.00 0.00 C ATOM 0 H ALA A 33 85.505 -7.953 26.164 1.00 0.00 H new ATOM 0 HA ALA A 33 84.529 -5.824 27.832 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.317 -6.824 27.308 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.328 -6.703 25.849 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.127 -8.272 26.663 1.00 0.00 H new ATOM 519 N LYS A 34 84.552 -8.854 29.135 1.00 0.00 N ATOM 520 CA LYS A 34 84.412 -9.565 30.439 1.00 0.00 C ATOM 521 C LYS A 34 85.351 -8.947 31.480 1.00 0.00 C ATOM 522 O LYS A 34 85.005 -8.824 32.638 1.00 0.00 O ATOM 523 CB LYS A 34 84.710 -11.062 30.259 1.00 0.00 C ATOM 524 CG LYS A 34 83.553 -11.750 29.504 1.00 0.00 C ATOM 525 CD LYS A 34 82.421 -12.121 30.477 1.00 0.00 C ATOM 526 CE LYS A 34 81.321 -12.877 29.725 1.00 0.00 C ATOM 527 NZ LYS A 34 80.280 -13.326 30.693 1.00 0.00 N ATOM 0 H LYS A 34 84.870 -9.432 28.357 1.00 0.00 H new ATOM 0 HA LYS A 34 83.387 -9.458 30.794 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.641 -11.191 29.707 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.849 -11.532 31.233 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.171 -11.086 28.729 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.919 -12.647 29.004 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.812 -12.738 31.286 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.010 -11.220 30.933 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.875 -12.233 28.967 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.745 -13.736 29.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.532 -13.840 30.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.712 -13.954 31.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.869 -12.498 31.170 1.00 0.00 H new ATOM 541 N GLU A 35 86.540 -8.571 31.090 1.00 0.00 N ATOM 542 CA GLU A 35 87.485 -7.980 32.081 1.00 0.00 C ATOM 543 C GLU A 35 86.872 -6.715 32.687 1.00 0.00 C ATOM 544 O GLU A 35 86.958 -6.488 33.877 1.00 0.00 O ATOM 545 CB GLU A 35 88.801 -7.629 31.374 1.00 0.00 C ATOM 546 CG GLU A 35 89.761 -6.925 32.346 1.00 0.00 C ATOM 547 CD GLU A 35 89.402 -5.438 32.466 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.957 -4.871 31.480 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.579 -4.892 33.541 1.00 0.00 O ATOM 0 H GLU A 35 86.895 -8.647 30.137 1.00 0.00 H new ATOM 0 HA GLU A 35 87.678 -8.699 32.877 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.266 -8.536 30.987 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.601 -6.983 30.519 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.709 -7.399 33.326 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.787 -7.031 31.995 1.00 0.00 H new ATOM 556 N ILE A 36 86.240 -5.896 31.894 1.00 0.00 N ATOM 557 CA ILE A 36 85.617 -4.665 32.461 1.00 0.00 C ATOM 558 C ILE A 36 84.513 -5.083 33.433 1.00 0.00 C ATOM 559 O ILE A 36 84.347 -4.509 34.491 1.00 0.00 O ATOM 560 CB ILE A 36 85.031 -3.819 31.332 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.176 -3.252 30.494 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.218 -2.665 31.924 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.620 -2.634 29.212 1.00 0.00 C ATOM 0 H ILE A 36 86.128 -6.022 30.888 1.00 0.00 H new ATOM 0 HA ILE A 36 86.365 -4.072 32.987 1.00 0.00 H new ATOM 0 HB ILE A 36 84.382 -4.435 30.709 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.720 -2.500 31.066 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.886 -4.042 30.250 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.801 -2.062 31.117 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.408 -3.066 32.534 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.865 -2.044 32.543 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.440 -2.231 28.617 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.096 -3.398 28.637 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.927 -1.832 29.466 1.00 0.00 H new ATOM 575 N VAL A 37 83.766 -6.094 33.083 1.00 0.00 N ATOM 576 CA VAL A 37 82.682 -6.573 33.983 1.00 0.00 C ATOM 577 C VAL A 37 83.320 -7.079 35.277 1.00 0.00 C ATOM 578 O VAL A 37 82.820 -6.858 36.363 1.00 0.00 O ATOM 579 CB VAL A 37 81.927 -7.714 33.292 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.975 -8.389 34.282 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.129 -7.153 32.112 1.00 0.00 C ATOM 0 H VAL A 37 83.861 -6.610 32.208 1.00 0.00 H new ATOM 0 HA VAL A 37 81.983 -5.767 34.207 1.00 0.00 H new ATOM 0 HB VAL A 37 82.644 -8.452 32.932 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.443 -9.198 33.781 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.546 -8.793 35.118 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.257 -7.658 34.652 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.591 -7.963 31.619 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.417 -6.412 32.474 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.810 -6.685 31.402 1.00 0.00 H new ATOM 591 N ALA A 38 84.428 -7.754 35.159 1.00 0.00 N ATOM 592 CA ALA A 38 85.125 -8.279 36.366 1.00 0.00 C ATOM 593 C ALA A 38 85.714 -7.112 37.163 1.00 0.00 C ATOM 594 O ALA A 38 85.715 -7.118 38.379 1.00 0.00 O ATOM 595 CB ALA A 38 86.248 -9.226 35.933 1.00 0.00 C ATOM 0 H ALA A 38 84.884 -7.966 34.272 1.00 0.00 H new ATOM 0 HA ALA A 38 84.415 -8.821 36.991 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.759 -9.611 36.815 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.826 -10.056 35.367 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.959 -8.685 35.308 1.00 0.00 H new ATOM 601 N SER A 39 86.219 -6.112 36.492 1.00 0.00 N ATOM 602 CA SER A 39 86.811 -4.953 37.219 1.00 0.00 C ATOM 603 C SER A 39 85.690 -4.135 37.859 1.00 0.00 C ATOM 604 O SER A 39 85.811 -3.668 38.974 1.00 0.00 O ATOM 605 CB SER A 39 87.603 -4.077 36.245 1.00 0.00 C ATOM 606 OG SER A 39 88.694 -4.827 35.730 1.00 0.00 O ATOM 0 H SER A 39 86.247 -6.048 35.474 1.00 0.00 H new ATOM 0 HA SER A 39 87.485 -5.316 37.995 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.959 -3.742 35.432 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.967 -3.184 36.753 1.00 0.00 H new ATOM 0 HG SER A 39 88.661 -4.821 34.751 1.00 0.00 H new ATOM 612 N CYS A 40 84.593 -3.969 37.173 1.00 0.00 N ATOM 613 CA CYS A 40 83.469 -3.198 37.767 1.00 0.00 C ATOM 614 C CYS A 40 82.779 -4.088 38.806 1.00 0.00 C ATOM 615 O CYS A 40 82.095 -5.036 38.474 1.00 0.00 O ATOM 616 CB CYS A 40 82.479 -2.801 36.666 1.00 0.00 C ATOM 617 SG CYS A 40 81.379 -1.495 37.272 1.00 0.00 S ATOM 0 H CYS A 40 84.428 -4.331 36.234 1.00 0.00 H new ATOM 0 HA CYS A 40 83.837 -2.289 38.243 1.00 0.00 H new ATOM 0 HB2 CYS A 40 83.020 -2.454 35.786 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.894 -3.669 36.360 1.00 0.00 H new ATOM 622 N ASP A 41 82.978 -3.798 40.063 1.00 0.00 N ATOM 623 CA ASP A 41 82.366 -4.627 41.143 1.00 0.00 C ATOM 624 C ASP A 41 80.843 -4.618 41.025 1.00 0.00 C ATOM 625 O ASP A 41 80.188 -5.616 41.244 1.00 0.00 O ATOM 626 CB ASP A 41 82.772 -4.071 42.509 1.00 0.00 C ATOM 627 CG ASP A 41 84.247 -4.380 42.768 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.569 -5.547 42.925 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.030 -3.446 42.802 1.00 0.00 O ATOM 0 H ASP A 41 83.543 -3.015 40.392 1.00 0.00 H new ATOM 0 HA ASP A 41 82.722 -5.652 41.041 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.604 -2.994 42.540 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.154 -4.512 43.291 1.00 0.00 H new ATOM 634 N LYS A 42 80.274 -3.495 40.706 1.00 0.00 N ATOM 635 CA LYS A 42 78.794 -3.419 40.605 1.00 0.00 C ATOM 636 C LYS A 42 78.295 -4.402 39.537 1.00 0.00 C ATOM 637 O LYS A 42 77.289 -5.057 39.716 1.00 0.00 O ATOM 638 CB LYS A 42 78.384 -1.991 40.237 1.00 0.00 C ATOM 639 CG LYS A 42 78.653 -1.067 41.434 1.00 0.00 C ATOM 640 CD LYS A 42 78.160 0.359 41.139 1.00 0.00 C ATOM 641 CE LYS A 42 79.190 1.120 40.295 1.00 0.00 C ATOM 642 NZ LYS A 42 80.468 1.236 41.054 1.00 0.00 N ATOM 0 H LYS A 42 80.769 -2.625 40.510 1.00 0.00 H new ATOM 0 HA LYS A 42 78.349 -3.685 41.564 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.945 -1.651 39.366 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.328 -1.960 39.968 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.151 -1.455 42.320 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.720 -1.050 41.655 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.207 0.319 40.611 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.984 0.890 42.074 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.360 0.599 39.353 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.811 2.111 40.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.975 2.092 40.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 80.263 1.297 42.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 81.059 0.400 40.869 1.00 0.00 H new ATOM 656 N CYS A 43 78.984 -4.523 38.433 1.00 0.00 N ATOM 657 CA CYS A 43 78.525 -5.480 37.383 1.00 0.00 C ATOM 658 C CYS A 43 78.837 -6.916 37.817 1.00 0.00 C ATOM 659 O CYS A 43 78.091 -7.835 37.545 1.00 0.00 O ATOM 660 CB CYS A 43 79.260 -5.217 36.068 1.00 0.00 C ATOM 661 SG CYS A 43 78.920 -3.542 35.488 1.00 0.00 S ATOM 0 H CYS A 43 79.836 -4.007 38.214 1.00 0.00 H new ATOM 0 HA CYS A 43 77.452 -5.346 37.246 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.333 -5.350 36.210 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.946 -5.941 35.316 1.00 0.00 H new ATOM 666 N GLN A 44 79.953 -7.116 38.464 1.00 0.00 N ATOM 667 CA GLN A 44 80.341 -8.492 38.886 1.00 0.00 C ATOM 668 C GLN A 44 79.520 -8.934 40.100 1.00 0.00 C ATOM 669 O GLN A 44 78.612 -9.733 39.988 1.00 0.00 O ATOM 670 CB GLN A 44 81.830 -8.496 39.247 1.00 0.00 C ATOM 671 CG GLN A 44 82.282 -9.919 39.582 1.00 0.00 C ATOM 672 CD GLN A 44 83.769 -9.908 39.940 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.512 -8.901 39.567 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.262 -10.826 40.566 1.00 0.00 N ATOM 0 H GLN A 44 80.615 -6.383 38.719 1.00 0.00 H new ATOM 0 HA GLN A 44 80.149 -9.186 38.067 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.416 -8.106 38.415 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.008 -7.839 40.098 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.699 -10.311 40.415 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.106 -10.578 38.732 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.683 -11.613 40.858 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.255 -10.809 40.799 1.00 0.00 H new ATOM 683 N LEU A 45 79.839 -8.432 41.259 1.00 0.00 N ATOM 684 CA LEU A 45 79.082 -8.837 42.477 1.00 0.00 C ATOM 685 C LEU A 45 77.679 -8.233 42.430 1.00 0.00 C ATOM 686 O LEU A 45 77.494 -7.099 42.034 1.00 0.00 O ATOM 687 CB LEU A 45 79.816 -8.334 43.721 1.00 0.00 C ATOM 688 CG LEU A 45 81.252 -8.870 43.727 1.00 0.00 C ATOM 689 CD1 LEU A 45 81.984 -8.334 44.961 1.00 0.00 C ATOM 690 CD2 LEU A 45 81.246 -10.410 43.758 1.00 0.00 C ATOM 0 H LEU A 45 80.590 -7.760 41.417 1.00 0.00 H new ATOM 0 HA LEU A 45 79.006 -9.924 42.515 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.825 -7.244 43.734 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.293 -8.659 44.620 1.00 0.00 H new ATOM 0 HG LEU A 45 81.762 -8.539 42.822 1.00 0.00 H new ATOM 0 HD11 LEU A 45 83.006 -8.712 44.970 1.00 0.00 H new ATOM 0 HD12 LEU A 45 82.000 -7.245 44.930 1.00 0.00 H new ATOM 0 HD13 LEU A 45 81.467 -8.663 45.862 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.272 -10.778 43.762 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.734 -10.754 44.657 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.728 -10.790 42.877 1.00 0.00 H new ATOM 702 N LYS A 46 76.687 -8.983 42.828 1.00 0.00 N ATOM 703 CA LYS A 46 75.289 -8.459 42.806 1.00 0.00 C ATOM 704 C LYS A 46 74.945 -7.875 44.177 1.00 0.00 C ATOM 705 O LYS A 46 74.023 -7.097 44.318 1.00 0.00 O ATOM 706 CB LYS A 46 74.329 -9.614 42.490 1.00 0.00 C ATOM 707 CG LYS A 46 74.688 -10.249 41.132 1.00 0.00 C ATOM 708 CD LYS A 46 74.066 -9.444 39.970 1.00 0.00 C ATOM 709 CE LYS A 46 72.662 -9.972 39.659 1.00 0.00 C ATOM 710 NZ LYS A 46 72.036 -9.128 38.603 1.00 0.00 N ATOM 0 H LYS A 46 76.784 -9.939 43.169 1.00 0.00 H new ATOM 0 HA LYS A 46 75.197 -7.682 42.047 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.382 -10.366 43.277 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.303 -9.248 42.468 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.771 -10.285 41.017 1.00 0.00 H new ATOM 0 HG3 LYS A 46 74.330 -11.278 41.100 1.00 0.00 H new ATOM 0 HD2 LYS A 46 74.016 -8.388 40.234 1.00 0.00 H new ATOM 0 HD3 LYS A 46 74.697 -9.521 39.085 1.00 0.00 H new ATOM 0 HE2 LYS A 46 72.717 -11.008 39.326 1.00 0.00 H new ATOM 0 HE3 LYS A 46 72.049 -9.959 40.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 71.083 -9.486 38.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.970 -8.145 38.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.617 -9.162 37.741 1.00 0.00 H new ATOM 724 N GLY A 47 75.683 -8.244 45.189 1.00 0.00 N ATOM 725 CA GLY A 47 75.406 -7.713 46.556 1.00 0.00 C ATOM 726 C GLY A 47 74.338 -8.574 47.236 1.00 0.00 C ATOM 727 O GLY A 47 74.096 -8.457 48.420 1.00 0.00 O ATOM 0 H GLY A 47 76.468 -8.892 45.128 1.00 0.00 H new ATOM 0 HA2 GLY A 47 76.320 -7.714 47.149 1.00 0.00 H new ATOM 0 HA3 GLY A 47 75.068 -6.679 46.494 1.00 0.00 H new ATOM 731 N GLU A 48 73.698 -9.438 46.495 1.00 0.00 N ATOM 732 CA GLU A 48 72.646 -10.307 47.099 1.00 0.00 C ATOM 733 C GLU A 48 73.301 -11.542 47.730 1.00 0.00 C ATOM 734 O GLU A 48 72.675 -12.286 48.459 1.00 0.00 O ATOM 735 CB GLU A 48 71.665 -10.746 46.004 1.00 0.00 C ATOM 736 CG GLU A 48 70.466 -11.454 46.642 1.00 0.00 C ATOM 737 CD GLU A 48 69.407 -11.738 45.573 1.00 0.00 C ATOM 738 OE1 GLU A 48 69.388 -11.027 44.582 1.00 0.00 O ATOM 739 OE2 GLU A 48 68.634 -12.662 45.765 1.00 0.00 O ATOM 0 H GLU A 48 73.858 -9.580 45.498 1.00 0.00 H new ATOM 0 HA GLU A 48 72.109 -9.753 47.869 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.328 -9.880 45.435 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.163 -11.414 45.302 1.00 0.00 H new ATOM 0 HG2 GLU A 48 70.787 -12.386 47.107 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.043 -10.833 47.432 1.00 0.00 H new ATOM 746 N ALA A 49 74.559 -11.766 47.454 1.00 0.00 N ATOM 747 CA ALA A 49 75.257 -12.956 48.030 1.00 0.00 C ATOM 748 C ALA A 49 75.334 -12.842 49.552 1.00 0.00 C ATOM 749 O ALA A 49 75.681 -13.786 50.233 1.00 0.00 O ATOM 750 CB ALA A 49 76.681 -13.027 47.475 1.00 0.00 C ATOM 0 H ALA A 49 75.135 -11.176 46.854 1.00 0.00 H new ATOM 0 HA ALA A 49 74.698 -13.852 47.760 1.00 0.00 H new ATOM 0 HB1 ALA A 49 77.192 -13.894 47.894 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.644 -13.117 46.389 1.00 0.00 H new ATOM 0 HB3 ALA A 49 77.223 -12.121 47.746 1.00 0.00 H new ATOM 756 N MET A 50 75.034 -11.697 50.093 1.00 0.00 N ATOM 757 CA MET A 50 75.120 -11.531 51.572 1.00 0.00 C ATOM 758 C MET A 50 74.179 -12.510 52.279 1.00 0.00 C ATOM 759 O MET A 50 74.401 -13.703 52.280 1.00 0.00 O ATOM 760 CB MET A 50 74.734 -10.099 51.932 1.00 0.00 C ATOM 761 CG MET A 50 75.764 -9.134 51.343 1.00 0.00 C ATOM 762 SD MET A 50 75.316 -7.432 51.763 1.00 0.00 S ATOM 763 CE MET A 50 76.692 -6.625 50.910 1.00 0.00 C ATOM 0 H MET A 50 74.733 -10.869 49.578 1.00 0.00 H new ATOM 0 HA MET A 50 76.140 -11.738 51.897 1.00 0.00 H new ATOM 0 HB2 MET A 50 73.741 -9.870 51.545 1.00 0.00 H new ATOM 0 HB3 MET A 50 74.689 -9.984 53.015 1.00 0.00 H new ATOM 0 HG2 MET A 50 76.756 -9.365 51.730 1.00 0.00 H new ATOM 0 HG3 MET A 50 75.809 -9.252 50.260 1.00 0.00 H new ATOM 0 HE1 MET A 50 76.617 -5.545 51.038 1.00 0.00 H new ATOM 0 HE2 MET A 50 77.635 -6.975 51.329 1.00 0.00 H new ATOM 0 HE3 MET A 50 76.654 -6.868 49.848 1.00 0.00 H new ATOM 773 N HIS A 51 73.139 -12.015 52.894 1.00 0.00 N ATOM 774 CA HIS A 51 72.199 -12.919 53.616 1.00 0.00 C ATOM 775 C HIS A 51 71.171 -13.489 52.639 1.00 0.00 C ATOM 776 O HIS A 51 70.554 -12.772 51.879 1.00 0.00 O ATOM 777 CB HIS A 51 71.480 -12.132 54.714 1.00 0.00 C ATOM 778 CG HIS A 51 72.480 -11.673 55.741 1.00 0.00 C ATOM 779 ND1 HIS A 51 73.018 -12.534 56.689 1.00 0.00 N ATOM 780 CD2 HIS A 51 73.051 -10.447 55.983 1.00 0.00 C ATOM 781 CE1 HIS A 51 73.869 -11.820 57.450 1.00 0.00 C ATOM 782 NE2 HIS A 51 73.924 -10.545 57.060 1.00 0.00 N ATOM 0 H HIS A 51 72.900 -11.024 52.928 1.00 0.00 H new ATOM 0 HA HIS A 51 72.761 -13.740 54.062 1.00 0.00 H new ATOM 0 HB2 HIS A 51 70.966 -11.273 54.283 1.00 0.00 H new ATOM 0 HB3 HIS A 51 70.720 -12.756 55.185 1.00 0.00 H new ATOM 0 HD2 HIS A 51 72.852 -9.546 55.422 1.00 0.00 H new ATOM 0 HE1 HIS A 51 74.436 -12.228 58.273 1.00 0.00 H new ATOM 0 HE2 HIS A 51 74.488 -9.799 57.467 1.00 0.00 H new ATOM 790 N GLY A 52 70.979 -14.782 52.662 1.00 0.00 N ATOM 791 CA GLY A 52 69.986 -15.410 51.746 1.00 0.00 C ATOM 792 C GLY A 52 68.600 -15.346 52.386 1.00 0.00 C ATOM 793 O GLY A 52 67.790 -14.503 52.056 1.00 0.00 O ATOM 0 H GLY A 52 71.469 -15.430 53.278 1.00 0.00 H new ATOM 0 HA2 GLY A 52 69.981 -14.893 50.787 1.00 0.00 H new ATOM 0 HA3 GLY A 52 70.261 -16.446 51.548 1.00 0.00 H new ATOM 797 N GLN A 53 68.322 -16.230 53.308 1.00 0.00 N ATOM 798 CA GLN A 53 66.990 -16.218 53.978 1.00 0.00 C ATOM 799 C GLN A 53 67.140 -16.808 55.383 1.00 0.00 C ATOM 800 O GLN A 53 67.501 -17.956 55.547 1.00 0.00 O ATOM 801 CB GLN A 53 66.003 -17.058 53.165 1.00 0.00 C ATOM 802 CG GLN A 53 64.623 -17.017 53.826 1.00 0.00 C ATOM 803 CD GLN A 53 63.640 -17.857 53.009 1.00 0.00 C ATOM 804 OE1 GLN A 53 63.946 -18.270 51.909 1.00 0.00 O ATOM 805 NE2 GLN A 53 62.469 -18.137 53.511 1.00 0.00 N ATOM 0 H GLN A 53 68.960 -16.959 53.625 1.00 0.00 H new ATOM 0 HA GLN A 53 66.615 -15.197 54.046 1.00 0.00 H new ATOM 0 HB2 GLN A 53 65.940 -16.677 52.146 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.355 -18.088 53.099 1.00 0.00 H new ATOM 0 HG2 GLN A 53 64.685 -17.399 54.845 1.00 0.00 H new ATOM 0 HG3 GLN A 53 64.270 -15.988 53.892 1.00 0.00 H new ATOM 0 HE21 GLN A 53 62.214 -17.789 54.435 1.00 0.00 H new ATOM 0 HE22 GLN A 53 61.808 -18.704 52.979 1.00 0.00 H new ATOM 814 N VAL A 54 66.867 -16.028 56.398 1.00 0.00 N ATOM 815 CA VAL A 54 66.994 -16.526 57.803 1.00 0.00 C ATOM 816 C VAL A 54 65.601 -16.789 58.386 1.00 0.00 C ATOM 817 O VAL A 54 64.694 -15.998 58.229 1.00 0.00 O ATOM 818 CB VAL A 54 67.700 -15.462 58.644 1.00 0.00 C ATOM 819 CG1 VAL A 54 69.080 -15.174 58.047 1.00 0.00 C ATOM 820 CG2 VAL A 54 66.868 -14.178 58.639 1.00 0.00 C ATOM 0 H VAL A 54 66.559 -15.059 56.313 1.00 0.00 H new ATOM 0 HA VAL A 54 67.569 -17.452 57.812 1.00 0.00 H new ATOM 0 HB VAL A 54 67.813 -15.821 59.667 1.00 0.00 H new ATOM 0 HG11 VAL A 54 69.584 -14.416 58.646 1.00 0.00 H new ATOM 0 HG12 VAL A 54 69.673 -16.088 58.045 1.00 0.00 H new ATOM 0 HG13 VAL A 54 68.966 -14.813 57.025 1.00 0.00 H new ATOM 0 HG21 VAL A 54 67.369 -13.417 59.238 1.00 0.00 H new ATOM 0 HG22 VAL A 54 66.758 -13.820 57.615 1.00 0.00 H new ATOM 0 HG23 VAL A 54 65.883 -14.381 59.060 1.00 0.00 H new ATOM 830 N ASP A 55 65.427 -17.896 59.061 1.00 0.00 N ATOM 831 CA ASP A 55 64.094 -18.210 59.657 1.00 0.00 C ATOM 832 C ASP A 55 64.283 -19.103 60.885 1.00 0.00 C ATOM 833 O ASP A 55 64.594 -20.269 60.704 1.00 0.00 O ATOM 834 CB ASP A 55 63.228 -18.939 58.627 1.00 0.00 C ATOM 835 CG ASP A 55 61.789 -19.025 59.139 1.00 0.00 C ATOM 836 OD1 ASP A 55 61.613 -19.340 60.305 1.00 0.00 O ATOM 837 OD2 ASP A 55 60.887 -18.776 58.358 1.00 0.00 O ATOM 838 OXT ASP A 55 64.113 -18.607 61.986 1.00 0.00 O ATOM 0 H ASP A 55 66.150 -18.596 59.225 1.00 0.00 H new ATOM 0 HA ASP A 55 63.603 -17.283 59.951 1.00 0.00 H new ATOM 0 HB2 ASP A 55 63.255 -18.410 57.674 1.00 0.00 H new ATOM 0 HB3 ASP A 55 63.622 -19.939 58.448 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.686 -14.098 21.460 1.00 0.00 N ATOM 845 CA PHE B 1 92.664 -13.835 22.512 1.00 0.00 C ATOM 846 C PHE B 1 92.136 -15.162 23.066 1.00 0.00 C ATOM 847 O PHE B 1 92.590 -15.654 24.080 1.00 0.00 O ATOM 848 CB PHE B 1 91.487 -13.052 21.914 1.00 0.00 C ATOM 849 CG PHE B 1 91.873 -11.609 21.675 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.574 -11.252 20.517 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.513 -10.626 22.606 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.916 -9.912 20.290 1.00 0.00 C ATOM 853 CE2 PHE B 1 91.856 -9.288 22.380 1.00 0.00 C ATOM 854 CZ PHE B 1 92.557 -8.930 21.222 1.00 0.00 C ATOM 0 H1 PHE B 1 93.781 -13.260 20.851 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.601 -14.305 21.909 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.390 -14.912 20.885 1.00 0.00 H new ATOM 0 HA PHE B 1 93.127 -13.255 23.311 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.177 -13.511 20.975 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.632 -13.098 22.589 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.851 -12.009 19.799 1.00 0.00 H new ATOM 0 HD2 PHE B 1 90.971 -10.901 23.499 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.456 -9.637 19.396 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.580 -8.531 23.099 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.821 -7.897 21.048 1.00 0.00 H new ATOM 866 N LEU B 2 91.154 -15.728 22.414 1.00 0.00 N ATOM 867 CA LEU B 2 90.556 -17.006 22.897 1.00 0.00 C ATOM 868 C LEU B 2 91.608 -18.119 22.904 1.00 0.00 C ATOM 869 O LEU B 2 91.655 -18.933 23.805 1.00 0.00 O ATOM 870 CB LEU B 2 89.413 -17.407 21.960 1.00 0.00 C ATOM 871 CG LEU B 2 88.337 -16.311 21.939 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.294 -16.656 20.872 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.651 -16.203 23.311 1.00 0.00 C ATOM 0 H LEU B 2 90.738 -15.355 21.560 1.00 0.00 H new ATOM 0 HA LEU B 2 90.184 -16.863 23.911 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.798 -17.569 20.953 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.976 -18.350 22.290 1.00 0.00 H new ATOM 0 HG LEU B 2 88.807 -15.355 21.709 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.526 -15.883 20.850 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.777 -16.715 19.897 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.835 -17.616 21.108 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.892 -15.422 23.278 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.181 -17.155 23.559 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.393 -15.956 24.070 1.00 0.00 H new ATOM 885 N ASP B 3 92.446 -18.170 21.906 1.00 0.00 N ATOM 886 CA ASP B 3 93.481 -19.244 21.862 1.00 0.00 C ATOM 887 C ASP B 3 94.468 -19.075 23.016 1.00 0.00 C ATOM 888 O ASP B 3 94.872 -20.034 23.645 1.00 0.00 O ATOM 889 CB ASP B 3 94.238 -19.160 20.541 1.00 0.00 C ATOM 890 CG ASP B 3 93.323 -19.591 19.393 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.513 -18.784 18.970 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.452 -20.722 18.955 1.00 0.00 O ATOM 0 H ASP B 3 92.460 -17.518 21.122 1.00 0.00 H new ATOM 0 HA ASP B 3 92.990 -20.213 21.951 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.589 -18.141 20.376 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.120 -19.799 20.575 1.00 0.00 H new ATOM 897 N GLY B 4 94.856 -17.867 23.304 1.00 0.00 N ATOM 898 CA GLY B 4 95.814 -17.642 24.423 1.00 0.00 C ATOM 899 C GLY B 4 95.190 -18.152 25.720 1.00 0.00 C ATOM 900 O GLY B 4 95.849 -18.734 26.559 1.00 0.00 O ATOM 0 H GLY B 4 94.553 -17.025 22.815 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.752 -18.162 24.226 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.049 -16.581 24.510 1.00 0.00 H new ATOM 904 N ILE B 5 93.918 -17.931 25.883 1.00 0.00 N ATOM 905 CA ILE B 5 93.220 -18.388 27.115 1.00 0.00 C ATOM 906 C ILE B 5 93.193 -19.917 27.177 1.00 0.00 C ATOM 907 O ILE B 5 93.341 -20.505 28.230 1.00 0.00 O ATOM 908 CB ILE B 5 91.786 -17.844 27.103 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.823 -16.330 27.326 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.958 -18.502 28.209 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.439 -15.747 27.051 1.00 0.00 C ATOM 0 H ILE B 5 93.325 -17.448 25.208 1.00 0.00 H new ATOM 0 HA ILE B 5 93.752 -18.017 27.991 1.00 0.00 H new ATOM 0 HB ILE B 5 91.327 -18.069 26.140 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.127 -16.109 28.349 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.561 -15.872 26.668 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.943 -18.106 28.188 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.930 -19.580 28.050 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.410 -18.289 29.178 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.461 -14.669 27.209 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.154 -15.957 26.020 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.713 -16.198 27.728 1.00 0.00 H new ATOM 923 N ASP B 6 92.975 -20.567 26.070 1.00 0.00 N ATOM 924 CA ASP B 6 92.906 -22.055 26.092 1.00 0.00 C ATOM 925 C ASP B 6 94.223 -22.640 26.601 1.00 0.00 C ATOM 926 O ASP B 6 94.232 -23.566 27.388 1.00 0.00 O ATOM 927 CB ASP B 6 92.633 -22.572 24.678 1.00 0.00 C ATOM 928 CG ASP B 6 91.188 -22.257 24.289 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.329 -22.346 25.151 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.965 -21.933 23.134 1.00 0.00 O ATOM 0 H ASP B 6 92.842 -20.136 25.155 1.00 0.00 H new ATOM 0 HA ASP B 6 92.101 -22.362 26.760 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.320 -22.108 23.971 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.807 -23.647 24.633 1.00 0.00 H new ATOM 935 N LYS B 7 95.336 -22.115 26.175 1.00 0.00 N ATOM 936 CA LYS B 7 96.633 -22.661 26.666 1.00 0.00 C ATOM 937 C LYS B 7 96.790 -22.295 28.143 1.00 0.00 C ATOM 938 O LYS B 7 97.245 -23.081 28.950 1.00 0.00 O ATOM 939 CB LYS B 7 97.784 -22.045 25.865 1.00 0.00 C ATOM 940 CG LYS B 7 97.758 -22.573 24.428 1.00 0.00 C ATOM 941 CD LYS B 7 98.913 -21.951 23.637 1.00 0.00 C ATOM 942 CE LYS B 7 98.895 -22.473 22.199 1.00 0.00 C ATOM 943 NZ LYS B 7 99.151 -23.941 22.195 1.00 0.00 N ATOM 0 H LYS B 7 95.406 -21.340 25.515 1.00 0.00 H new ATOM 0 HA LYS B 7 96.650 -23.744 26.544 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.698 -20.958 25.864 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.737 -22.289 26.334 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.845 -23.660 24.426 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.806 -22.329 23.956 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.825 -20.865 23.641 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.864 -22.195 24.111 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.931 -22.261 21.737 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.652 -21.960 21.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.890 -24.163 21.498 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.465 -24.241 23.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.276 -24.445 21.945 1.00 0.00 H new ATOM 957 N ALA B 8 96.403 -21.100 28.494 1.00 0.00 N ATOM 958 CA ALA B 8 96.505 -20.646 29.911 1.00 0.00 C ATOM 959 C ALA B 8 95.491 -21.391 30.781 1.00 0.00 C ATOM 960 O ALA B 8 95.766 -21.744 31.911 1.00 0.00 O ATOM 961 CB ALA B 8 96.223 -19.146 29.984 1.00 0.00 C ATOM 0 H ALA B 8 96.015 -20.409 27.851 1.00 0.00 H new ATOM 0 HA ALA B 8 97.510 -20.855 30.277 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.297 -18.812 31.019 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.951 -18.609 29.376 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.219 -18.946 29.609 1.00 0.00 H new ATOM 967 N GLN B 9 94.308 -21.603 30.273 1.00 0.00 N ATOM 968 CA GLN B 9 93.258 -22.290 31.078 1.00 0.00 C ATOM 969 C GLN B 9 93.714 -23.705 31.434 1.00 0.00 C ATOM 970 O GLN B 9 94.249 -24.425 30.614 1.00 0.00 O ATOM 971 CB GLN B 9 91.964 -22.356 30.262 1.00 0.00 C ATOM 972 CG GLN B 9 90.851 -22.973 31.111 1.00 0.00 C ATOM 973 CD GLN B 9 89.558 -23.027 30.296 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.482 -22.470 29.219 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.526 -23.666 30.775 1.00 0.00 N ATOM 0 H GLN B 9 94.022 -21.329 29.333 1.00 0.00 H new ATOM 0 HA GLN B 9 93.085 -21.733 31.999 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.676 -21.356 29.938 1.00 0.00 H new ATOM 0 HB3 GLN B 9 92.120 -22.950 29.362 1.00 0.00 H new ATOM 0 HG2 GLN B 9 91.135 -23.976 31.429 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.699 -22.383 32.015 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.590 -24.134 31.679 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.655 -23.698 30.245 1.00 0.00 H new ATOM 984 N GLU B 10 93.505 -24.106 32.661 1.00 0.00 N ATOM 985 CA GLU B 10 93.922 -25.473 33.087 1.00 0.00 C ATOM 986 C GLU B 10 93.120 -25.868 34.337 1.00 0.00 C ATOM 987 O GLU B 10 92.005 -25.428 34.532 1.00 0.00 O ATOM 988 CB GLU B 10 95.433 -25.463 33.393 1.00 0.00 C ATOM 989 CG GLU B 10 96.051 -26.834 33.090 1.00 0.00 C ATOM 990 CD GLU B 10 97.547 -26.794 33.405 1.00 0.00 C ATOM 991 OE1 GLU B 10 98.041 -25.719 33.704 1.00 0.00 O ATOM 992 OE2 GLU B 10 98.173 -27.839 33.345 1.00 0.00 O ATOM 0 H GLU B 10 93.062 -23.543 33.388 1.00 0.00 H new ATOM 0 HA GLU B 10 93.728 -26.198 32.297 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.926 -24.695 32.796 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.596 -25.207 34.440 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.563 -27.606 33.685 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.895 -27.093 32.043 1.00 0.00 H new ATOM 999 N GLU B 11 93.676 -26.693 35.184 1.00 0.00 N ATOM 1000 CA GLU B 11 92.944 -27.110 36.414 1.00 0.00 C ATOM 1001 C GLU B 11 93.072 -26.023 37.484 1.00 0.00 C ATOM 1002 O GLU B 11 93.983 -25.220 37.461 1.00 0.00 O ATOM 1003 CB GLU B 11 93.544 -28.414 36.947 1.00 0.00 C ATOM 1004 CG GLU B 11 93.231 -29.557 35.980 1.00 0.00 C ATOM 1005 CD GLU B 11 93.893 -30.842 36.482 1.00 0.00 C ATOM 1006 OE1 GLU B 11 95.110 -30.916 36.435 1.00 0.00 O ATOM 1007 OE2 GLU B 11 93.170 -31.730 36.906 1.00 0.00 O ATOM 0 H GLU B 11 94.607 -27.096 35.076 1.00 0.00 H new ATOM 0 HA GLU B 11 91.892 -27.260 36.172 1.00 0.00 H new ATOM 0 HB2 GLU B 11 94.623 -28.308 37.064 1.00 0.00 H new ATOM 0 HB3 GLU B 11 93.137 -28.637 37.933 1.00 0.00 H new ATOM 0 HG2 GLU B 11 92.153 -29.697 35.901 1.00 0.00 H new ATOM 0 HG3 GLU B 11 93.594 -29.313 34.982 1.00 0.00 H new ATOM 1014 N HIS B 12 92.173 -26.001 38.429 1.00 0.00 N ATOM 1015 CA HIS B 12 92.244 -24.977 39.512 1.00 0.00 C ATOM 1016 C HIS B 12 93.302 -25.407 40.532 1.00 0.00 C ATOM 1017 O HIS B 12 92.989 -25.835 41.626 1.00 0.00 O ATOM 1018 CB HIS B 12 90.872 -24.874 40.186 1.00 0.00 C ATOM 1019 CG HIS B 12 90.916 -23.887 41.323 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.704 -22.526 41.138 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.111 -24.055 42.672 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.774 -21.936 42.350 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.020 -22.824 43.312 1.00 0.00 N ATOM 0 H HIS B 12 91.389 -26.650 38.499 1.00 0.00 H new ATOM 0 HA HIS B 12 92.516 -24.005 39.101 1.00 0.00 H new ATOM 0 HB2 HIS B 12 90.124 -24.564 39.456 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.568 -25.853 40.558 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.305 -24.998 43.161 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.647 -20.877 42.519 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.121 -22.639 44.310 1.00 0.00 H new ATOM 1031 N GLU B 13 94.559 -25.309 40.169 1.00 0.00 N ATOM 1032 CA GLU B 13 95.662 -25.722 41.096 1.00 0.00 C ATOM 1033 C GLU B 13 96.270 -24.483 41.768 1.00 0.00 C ATOM 1034 O GLU B 13 95.601 -23.496 42.002 1.00 0.00 O ATOM 1035 CB GLU B 13 96.744 -26.468 40.288 1.00 0.00 C ATOM 1036 CG GLU B 13 97.476 -27.479 41.184 1.00 0.00 C ATOM 1037 CD GLU B 13 98.818 -27.858 40.550 1.00 0.00 C ATOM 1038 OE1 GLU B 13 99.063 -27.436 39.432 1.00 0.00 O ATOM 1039 OE2 GLU B 13 99.575 -28.565 41.194 1.00 0.00 O ATOM 0 H GLU B 13 94.871 -24.958 39.263 1.00 0.00 H new ATOM 0 HA GLU B 13 95.265 -26.380 41.869 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.286 -26.984 39.444 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.457 -25.754 39.876 1.00 0.00 H new ATOM 0 HG2 GLU B 13 97.639 -27.051 42.173 1.00 0.00 H new ATOM 0 HG3 GLU B 13 96.863 -28.370 41.319 1.00 0.00 H new ATOM 1046 N LYS B 14 97.536 -24.539 42.086 1.00 0.00 N ATOM 1047 CA LYS B 14 98.207 -23.386 42.752 1.00 0.00 C ATOM 1048 C LYS B 14 98.345 -22.224 41.764 1.00 0.00 C ATOM 1049 O LYS B 14 98.309 -21.069 42.137 1.00 0.00 O ATOM 1050 CB LYS B 14 99.601 -23.814 43.214 1.00 0.00 C ATOM 1051 CG LYS B 14 99.478 -24.798 44.380 1.00 0.00 C ATOM 1052 CD LYS B 14 100.857 -25.386 44.708 1.00 0.00 C ATOM 1053 CE LYS B 14 101.815 -24.273 45.154 1.00 0.00 C ATOM 1054 NZ LYS B 14 102.403 -23.611 43.954 1.00 0.00 N ATOM 0 H LYS B 14 98.139 -25.343 41.911 1.00 0.00 H new ATOM 0 HA LYS B 14 97.610 -23.067 43.607 1.00 0.00 H new ATOM 0 HB2 LYS B 14 100.142 -24.278 42.389 1.00 0.00 H new ATOM 0 HB3 LYS B 14 100.177 -22.941 43.521 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.071 -24.291 45.255 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.783 -25.597 44.122 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.764 -26.133 45.496 1.00 0.00 H new ATOM 0 HD3 LYS B 14 101.261 -25.895 43.833 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.282 -23.541 45.761 1.00 0.00 H new ATOM 0 HE3 LYS B 14 102.607 -24.688 45.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 103.437 -23.563 44.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 102.164 -24.159 43.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 102.019 -22.649 43.865 1.00 0.00 H new ATOM 1068 N TYR B 15 98.522 -22.524 40.510 1.00 0.00 N ATOM 1069 CA TYR B 15 98.688 -21.447 39.493 1.00 0.00 C ATOM 1070 C TYR B 15 97.448 -20.552 39.472 1.00 0.00 C ATOM 1071 O TYR B 15 97.551 -19.348 39.351 1.00 0.00 O ATOM 1072 CB TYR B 15 98.915 -22.080 38.113 1.00 0.00 C ATOM 1073 CG TYR B 15 100.362 -22.506 38.005 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.749 -23.779 38.435 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.315 -21.614 37.501 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.093 -24.163 38.359 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.657 -21.997 37.422 1.00 0.00 C ATOM 1078 CZ TYR B 15 103.047 -23.273 37.852 1.00 0.00 C ATOM 1079 OH TYR B 15 104.372 -23.652 37.779 1.00 0.00 O ATOM 0 H TYR B 15 98.559 -23.474 40.142 1.00 0.00 H new ATOM 0 HA TYR B 15 99.552 -20.834 39.750 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.258 -22.939 37.979 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.672 -21.366 37.326 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.012 -24.465 38.825 1.00 0.00 H new ATOM 0 HD2 TYR B 15 101.014 -20.630 37.173 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.394 -25.146 38.691 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.393 -21.310 37.030 1.00 0.00 H new ATOM 0 HH TYR B 15 104.902 -22.918 37.403 1.00 0.00 H new ATOM 1089 N HIS B 16 96.279 -21.113 39.591 1.00 0.00 N ATOM 1090 CA HIS B 16 95.059 -20.258 39.577 1.00 0.00 C ATOM 1091 C HIS B 16 95.129 -19.260 40.739 1.00 0.00 C ATOM 1092 O HIS B 16 94.767 -18.109 40.596 1.00 0.00 O ATOM 1093 CB HIS B 16 93.808 -21.138 39.731 1.00 0.00 C ATOM 1094 CG HIS B 16 93.387 -21.687 38.393 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.050 -21.884 38.066 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.104 -22.083 37.293 1.00 0.00 C ATOM 1097 CE1 HIS B 16 92.007 -22.376 36.815 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.231 -22.515 36.301 1.00 0.00 N ATOM 0 H HIS B 16 96.115 -22.114 39.696 1.00 0.00 H new ATOM 0 HA HIS B 16 95.004 -19.718 38.632 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.014 -21.958 40.419 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.996 -20.554 40.164 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.181 -22.062 37.210 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.096 -22.627 36.292 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.475 -22.865 35.374 1.00 0.00 H new ATOM 1106 N SER B 17 95.589 -19.679 41.886 1.00 0.00 N ATOM 1107 CA SER B 17 95.669 -18.725 43.027 1.00 0.00 C ATOM 1108 C SER B 17 96.591 -17.563 42.648 1.00 0.00 C ATOM 1109 O SER B 17 96.293 -16.415 42.908 1.00 0.00 O ATOM 1110 CB SER B 17 96.217 -19.443 44.261 1.00 0.00 C ATOM 1111 OG SER B 17 97.573 -19.803 44.036 1.00 0.00 O ATOM 0 H SER B 17 95.909 -20.628 42.081 1.00 0.00 H new ATOM 0 HA SER B 17 94.675 -18.340 43.254 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.142 -18.796 45.135 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.623 -20.333 44.471 1.00 0.00 H new ATOM 0 HG SER B 17 97.610 -20.607 43.477 1.00 0.00 H new ATOM 1117 N ASN B 18 97.705 -17.848 42.019 1.00 0.00 N ATOM 1118 CA ASN B 18 98.639 -16.753 41.607 1.00 0.00 C ATOM 1119 C ASN B 18 98.370 -16.382 40.146 1.00 0.00 C ATOM 1120 O ASN B 18 98.976 -16.920 39.241 1.00 0.00 O ATOM 1121 CB ASN B 18 100.088 -17.233 41.745 1.00 0.00 C ATOM 1122 CG ASN B 18 100.445 -17.377 43.226 1.00 0.00 C ATOM 1123 OD1 ASN B 18 101.013 -18.371 43.632 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.134 -16.419 44.056 1.00 0.00 N ATOM 0 H ASN B 18 98.008 -18.790 41.773 1.00 0.00 H new ATOM 0 HA ASN B 18 98.481 -15.884 42.245 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.215 -18.188 41.236 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.763 -16.524 41.265 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.368 -16.505 45.045 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.657 -15.584 43.716 1.00 0.00 H new ATOM 1131 N TRP B 19 97.474 -15.465 39.902 1.00 0.00 N ATOM 1132 CA TRP B 19 97.189 -15.071 38.493 1.00 0.00 C ATOM 1133 C TRP B 19 98.386 -14.304 37.928 1.00 0.00 C ATOM 1134 O TRP B 19 98.636 -14.316 36.739 1.00 0.00 O ATOM 1135 CB TRP B 19 95.924 -14.207 38.424 1.00 0.00 C ATOM 1136 CG TRP B 19 96.164 -12.873 39.053 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.788 -12.530 40.307 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.808 -11.696 38.482 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.159 -11.218 40.542 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.791 -10.663 39.448 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.401 -11.425 37.233 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.338 -9.407 39.186 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 97.954 -10.164 36.968 1.00 0.00 C ATOM 1144 CH2 TRP B 19 97.922 -9.156 37.941 1.00 0.00 C ATOM 0 H TRP B 19 96.930 -14.974 40.612 1.00 0.00 H new ATOM 0 HA TRP B 19 97.022 -15.969 37.898 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.623 -14.076 37.385 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.103 -14.713 38.933 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.281 -13.175 41.009 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.987 -10.722 41.416 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.430 -12.194 36.475 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.311 -8.634 39.940 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.408 -9.968 36.008 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.348 -8.186 37.729 1.00 0.00 H new ATOM 1155 N ARG B 20 99.124 -13.631 38.768 1.00 0.00 N ATOM 1156 CA ARG B 20 100.298 -12.858 38.271 1.00 0.00 C ATOM 1157 C ARG B 20 101.303 -13.804 37.603 1.00 0.00 C ATOM 1158 O ARG B 20 101.879 -13.486 36.583 1.00 0.00 O ATOM 1159 CB ARG B 20 100.979 -12.161 39.454 1.00 0.00 C ATOM 1160 CG ARG B 20 100.086 -11.034 39.978 1.00 0.00 C ATOM 1161 CD ARG B 20 100.775 -10.346 41.159 1.00 0.00 C ATOM 1162 NE ARG B 20 100.917 -11.312 42.286 1.00 0.00 N ATOM 1163 CZ ARG B 20 101.741 -11.059 43.267 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.460 -9.969 43.251 1.00 0.00 N ATOM 1165 NH2 ARG B 20 101.850 -11.898 44.261 1.00 0.00 N ATOM 0 H ARG B 20 98.966 -13.583 39.774 1.00 0.00 H new ATOM 0 HA ARG B 20 99.959 -12.119 37.544 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.174 -12.881 40.248 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.943 -11.759 39.144 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.891 -10.312 39.186 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.121 -11.434 40.289 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.755 -9.977 40.857 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.194 -9.481 41.479 1.00 0.00 H new ATOM 0 HE ARG B 20 100.369 -12.172 42.291 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.378 -9.315 42.472 1.00 0.00 H new ATOM 0 HH12 ARG B 20 103.104 -9.771 44.017 1.00 0.00 H new ATOM 0 HH21 ARG B 20 101.292 -12.751 44.272 1.00 0.00 H new ATOM 0 HH22 ARG B 20 102.494 -11.700 45.027 1.00 0.00 H new ATOM 1179 N ALA B 21 101.516 -14.962 38.164 1.00 0.00 N ATOM 1180 CA ALA B 21 102.484 -15.917 37.549 1.00 0.00 C ATOM 1181 C ALA B 21 101.995 -16.314 36.154 1.00 0.00 C ATOM 1182 O ALA B 21 102.769 -16.434 35.226 1.00 0.00 O ATOM 1183 CB ALA B 21 102.597 -17.171 38.420 1.00 0.00 C ATOM 0 H ALA B 21 101.064 -15.289 39.018 1.00 0.00 H new ATOM 0 HA ALA B 21 103.460 -15.438 37.473 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.305 -17.866 37.968 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.947 -16.893 39.414 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.620 -17.648 38.499 1.00 0.00 H new ATOM 1189 N MET B 22 100.716 -16.520 36.000 1.00 0.00 N ATOM 1190 CA MET B 22 100.180 -16.913 34.666 1.00 0.00 C ATOM 1191 C MET B 22 100.492 -15.817 33.650 1.00 0.00 C ATOM 1192 O MET B 22 100.904 -16.084 32.537 1.00 0.00 O ATOM 1193 CB MET B 22 98.663 -17.088 34.757 1.00 0.00 C ATOM 1194 CG MET B 22 98.141 -17.749 33.476 1.00 0.00 C ATOM 1195 SD MET B 22 96.349 -17.519 33.358 1.00 0.00 S ATOM 1196 CE MET B 22 95.913 -18.185 34.982 1.00 0.00 C ATOM 0 H MET B 22 100.019 -16.433 36.740 1.00 0.00 H new ATOM 0 HA MET B 22 100.642 -17.850 34.354 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.409 -17.700 35.623 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.183 -16.120 34.899 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.631 -17.314 32.605 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.382 -18.812 33.480 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.875 -18.517 34.972 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.562 -19.029 35.215 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.039 -17.411 35.739 1.00 0.00 H new ATOM 1206 N ALA B 23 100.297 -14.586 34.020 1.00 0.00 N ATOM 1207 CA ALA B 23 100.579 -13.475 33.073 1.00 0.00 C ATOM 1208 C ALA B 23 102.068 -13.481 32.717 1.00 0.00 C ATOM 1209 O ALA B 23 102.446 -13.294 31.578 1.00 0.00 O ATOM 1210 CB ALA B 23 100.211 -12.142 33.728 1.00 0.00 C ATOM 0 H ALA B 23 99.954 -14.300 34.937 1.00 0.00 H new ATOM 0 HA ALA B 23 99.988 -13.606 32.166 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.417 -11.327 33.035 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.151 -12.142 33.983 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.802 -12.006 34.634 1.00 0.00 H new ATOM 1216 N SER B 24 102.916 -13.699 33.687 1.00 0.00 N ATOM 1217 CA SER B 24 104.381 -13.722 33.410 1.00 0.00 C ATOM 1218 C SER B 24 104.736 -14.950 32.569 1.00 0.00 C ATOM 1219 O SER B 24 105.550 -14.886 31.670 1.00 0.00 O ATOM 1220 CB SER B 24 105.149 -13.780 34.732 1.00 0.00 C ATOM 1221 OG SER B 24 105.001 -12.544 35.417 1.00 0.00 O ATOM 0 H SER B 24 102.657 -13.862 34.660 1.00 0.00 H new ATOM 0 HA SER B 24 104.653 -12.819 32.863 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.774 -14.597 35.348 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.204 -13.981 34.544 1.00 0.00 H new ATOM 0 HG SER B 24 105.491 -12.579 36.265 1.00 0.00 H new ATOM 1227 N ASP B 25 104.133 -16.070 32.858 1.00 0.00 N ATOM 1228 CA ASP B 25 104.440 -17.305 32.081 1.00 0.00 C ATOM 1229 C ASP B 25 104.091 -17.111 30.606 1.00 0.00 C ATOM 1230 O ASP B 25 104.808 -17.548 29.728 1.00 0.00 O ATOM 1231 CB ASP B 25 103.628 -18.475 32.637 1.00 0.00 C ATOM 1232 CG ASP B 25 103.944 -19.739 31.835 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.869 -20.440 32.208 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.254 -19.983 30.859 1.00 0.00 O ATOM 0 H ASP B 25 103.441 -16.184 33.599 1.00 0.00 H new ATOM 0 HA ASP B 25 105.506 -17.515 32.170 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.866 -18.630 33.689 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.563 -18.252 32.581 1.00 0.00 H new ATOM 1239 N PHE B 26 102.987 -16.470 30.326 1.00 0.00 N ATOM 1240 CA PHE B 26 102.572 -16.257 28.904 1.00 0.00 C ATOM 1241 C PHE B 26 102.914 -14.833 28.462 1.00 0.00 C ATOM 1242 O PHE B 26 102.682 -14.457 27.331 1.00 0.00 O ATOM 1243 CB PHE B 26 101.064 -16.483 28.789 1.00 0.00 C ATOM 1244 CG PHE B 26 100.768 -17.956 28.947 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.866 -18.809 27.841 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.396 -18.469 30.195 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.593 -20.175 27.983 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.125 -19.836 30.338 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.223 -20.689 29.232 1.00 0.00 C ATOM 0 H PHE B 26 102.351 -16.082 31.023 1.00 0.00 H new ATOM 0 HA PHE B 26 103.104 -16.959 28.262 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.539 -15.911 29.554 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.704 -16.129 27.823 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.152 -18.413 26.878 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.318 -17.811 31.048 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.668 -20.832 27.129 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.840 -20.232 31.302 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.013 -21.743 29.342 1.00 0.00 H new ATOM 1259 N ASN B 27 103.472 -14.045 29.341 1.00 0.00 N ATOM 1260 CA ASN B 27 103.843 -12.645 28.978 1.00 0.00 C ATOM 1261 C ASN B 27 102.609 -11.893 28.464 1.00 0.00 C ATOM 1262 O ASN B 27 102.683 -11.137 27.514 1.00 0.00 O ATOM 1263 CB ASN B 27 104.939 -12.655 27.904 1.00 0.00 C ATOM 1264 CG ASN B 27 106.245 -13.158 28.524 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.414 -13.119 29.727 1.00 0.00 O ATOM 1266 ND2 ASN B 27 107.180 -13.638 27.750 1.00 0.00 N ATOM 0 H ASN B 27 103.689 -14.312 30.301 1.00 0.00 H new ATOM 0 HA ASN B 27 104.222 -12.137 29.865 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.645 -13.297 27.074 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.077 -11.653 27.499 1.00 0.00 H new ATOM 0 HD21 ASN B 27 108.052 -13.980 28.155 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.039 -13.671 26.740 1.00 0.00 H new ATOM 1273 N LEU B 28 101.479 -12.085 29.101 1.00 0.00 N ATOM 1274 CA LEU B 28 100.222 -11.379 28.684 1.00 0.00 C ATOM 1275 C LEU B 28 99.832 -10.406 29.804 1.00 0.00 C ATOM 1276 O LEU B 28 100.133 -10.647 30.956 1.00 0.00 O ATOM 1277 CB LEU B 28 99.097 -12.407 28.504 1.00 0.00 C ATOM 1278 CG LEU B 28 99.470 -13.419 27.412 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.540 -14.630 27.512 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.328 -12.785 26.020 1.00 0.00 C ATOM 0 H LEU B 28 101.371 -12.708 29.902 1.00 0.00 H new ATOM 0 HA LEU B 28 100.380 -10.846 27.746 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.916 -12.927 29.445 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.170 -11.899 28.237 1.00 0.00 H new ATOM 0 HG LEU B 28 100.506 -13.727 27.554 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.800 -15.353 26.739 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.649 -15.093 28.493 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.508 -14.308 27.376 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.596 -13.517 25.258 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.297 -12.466 25.869 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.990 -11.922 25.944 1.00 0.00 H new ATOM 1292 N PRO B 29 99.175 -9.314 29.491 1.00 0.00 N ATOM 1293 CA PRO B 29 98.768 -8.320 30.528 1.00 0.00 C ATOM 1294 C PRO B 29 97.658 -8.873 31.449 1.00 0.00 C ATOM 1295 O PRO B 29 96.858 -9.687 31.032 1.00 0.00 O ATOM 1296 CB PRO B 29 98.259 -7.125 29.707 1.00 0.00 C ATOM 1297 CG PRO B 29 97.813 -7.717 28.409 1.00 0.00 C ATOM 1298 CD PRO B 29 98.751 -8.895 28.140 1.00 0.00 C ATOM 0 HA PRO B 29 99.589 -8.060 31.196 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.438 -6.618 30.214 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.045 -6.385 29.555 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.776 -8.049 28.467 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.868 -6.983 27.605 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.242 -9.701 27.611 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.602 -8.599 27.526 1.00 0.00 H new ATOM 1306 N PRO B 30 97.607 -8.437 32.690 1.00 0.00 N ATOM 1307 CA PRO B 30 96.573 -8.907 33.658 1.00 0.00 C ATOM 1308 C PRO B 30 95.180 -9.025 33.020 1.00 0.00 C ATOM 1309 O PRO B 30 94.311 -9.703 33.526 1.00 0.00 O ATOM 1310 CB PRO B 30 96.569 -7.810 34.736 1.00 0.00 C ATOM 1311 CG PRO B 30 97.950 -7.222 34.716 1.00 0.00 C ATOM 1312 CD PRO B 30 98.520 -7.453 33.307 1.00 0.00 C ATOM 0 HA PRO B 30 96.799 -9.903 34.038 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.816 -7.051 34.521 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.333 -8.224 35.716 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.919 -6.158 34.949 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.581 -7.695 35.469 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.549 -6.526 32.734 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.541 -7.833 33.350 1.00 0.00 H new ATOM 1320 N VAL B 31 94.957 -8.345 31.933 1.00 0.00 N ATOM 1321 CA VAL B 31 93.612 -8.386 31.289 1.00 0.00 C ATOM 1322 C VAL B 31 93.237 -9.812 30.881 1.00 0.00 C ATOM 1323 O VAL B 31 92.161 -10.284 31.188 1.00 0.00 O ATOM 1324 CB VAL B 31 93.640 -7.473 30.057 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.373 -7.666 29.221 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.726 -6.016 30.516 1.00 0.00 C ATOM 0 H VAL B 31 95.647 -7.761 31.460 1.00 0.00 H new ATOM 0 HA VAL B 31 92.861 -8.042 32.000 1.00 0.00 H new ATOM 0 HB VAL B 31 94.507 -7.726 29.446 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.408 -7.011 28.350 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.308 -8.703 28.892 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.499 -7.421 29.824 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.746 -5.361 29.645 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.858 -5.776 31.130 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.635 -5.872 31.100 1.00 0.00 H new ATOM 1336 N VAL B 32 94.096 -10.504 30.198 1.00 0.00 N ATOM 1337 CA VAL B 32 93.746 -11.893 29.792 1.00 0.00 C ATOM 1338 C VAL B 32 93.710 -12.799 31.029 1.00 0.00 C ATOM 1339 O VAL B 32 92.843 -13.641 31.169 1.00 0.00 O ATOM 1340 CB VAL B 32 94.779 -12.398 28.780 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.584 -13.899 28.539 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.590 -11.646 27.460 1.00 0.00 C ATOM 0 H VAL B 32 95.016 -10.177 29.904 1.00 0.00 H new ATOM 0 HA VAL B 32 92.761 -11.907 29.326 1.00 0.00 H new ATOM 0 HB VAL B 32 95.783 -12.226 29.169 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.322 -14.251 27.818 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.709 -14.438 29.478 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.582 -14.078 28.149 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.321 -11.999 26.733 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.584 -11.825 27.080 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.730 -10.578 27.627 1.00 0.00 H new ATOM 1352 N ALA B 33 94.639 -12.630 31.930 1.00 0.00 N ATOM 1353 CA ALA B 33 94.648 -13.479 33.156 1.00 0.00 C ATOM 1354 C ALA B 33 93.417 -13.169 34.016 1.00 0.00 C ATOM 1355 O ALA B 33 92.803 -14.056 34.575 1.00 0.00 O ATOM 1356 CB ALA B 33 95.920 -13.201 33.963 1.00 0.00 C ATOM 0 H ALA B 33 95.390 -11.943 31.871 1.00 0.00 H new ATOM 0 HA ALA B 33 94.624 -14.529 32.863 1.00 0.00 H new ATOM 0 HB1 ALA B 33 95.926 -13.822 34.859 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.795 -13.433 33.355 1.00 0.00 H new ATOM 0 HB3 ALA B 33 95.946 -12.150 34.250 1.00 0.00 H new ATOM 1362 N LYS B 34 93.047 -11.919 34.125 1.00 0.00 N ATOM 1363 CA LYS B 34 91.855 -11.560 34.947 1.00 0.00 C ATOM 1364 C LYS B 34 90.601 -12.231 34.378 1.00 0.00 C ATOM 1365 O LYS B 34 89.741 -12.672 35.114 1.00 0.00 O ATOM 1366 CB LYS B 34 91.681 -10.034 34.990 1.00 0.00 C ATOM 1367 CG LYS B 34 92.769 -9.398 35.881 1.00 0.00 C ATOM 1368 CD LYS B 34 92.356 -9.461 37.361 1.00 0.00 C ATOM 1369 CE LYS B 34 93.400 -8.742 38.219 1.00 0.00 C ATOM 1370 NZ LYS B 34 92.940 -8.717 39.637 1.00 0.00 N ATOM 0 H LYS B 34 93.519 -11.132 33.680 1.00 0.00 H new ATOM 0 HA LYS B 34 92.006 -11.918 35.965 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.742 -9.625 33.981 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.693 -9.784 35.376 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.715 -9.920 35.739 1.00 0.00 H new ATOM 0 HG3 LYS B 34 92.929 -8.361 35.586 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.379 -8.998 37.496 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.263 -10.500 37.679 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.361 -9.251 38.145 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.549 -7.725 37.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.647 -8.229 40.223 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.032 -8.213 39.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.819 -9.691 39.980 1.00 0.00 H new ATOM 1384 N GLU B 35 90.475 -12.304 33.081 1.00 0.00 N ATOM 1385 CA GLU B 35 89.258 -12.938 32.495 1.00 0.00 C ATOM 1386 C GLU B 35 89.162 -14.392 32.962 1.00 0.00 C ATOM 1387 O GLU B 35 88.097 -14.867 33.304 1.00 0.00 O ATOM 1388 CB GLU B 35 89.356 -12.892 30.964 1.00 0.00 C ATOM 1389 CG GLU B 35 88.166 -13.630 30.329 1.00 0.00 C ATOM 1390 CD GLU B 35 88.418 -15.143 30.320 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.565 -15.534 30.173 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.461 -15.883 30.458 1.00 0.00 O ATOM 0 H GLU B 35 91.155 -11.955 32.406 1.00 0.00 H new ATOM 0 HA GLU B 35 88.369 -12.399 32.821 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.373 -11.856 30.625 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.291 -13.349 30.639 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.255 -13.410 30.885 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.011 -13.275 29.310 1.00 0.00 H new ATOM 1399 N ILE B 36 90.254 -15.103 32.998 1.00 0.00 N ATOM 1400 CA ILE B 36 90.190 -16.517 33.465 1.00 0.00 C ATOM 1401 C ILE B 36 89.755 -16.524 34.931 1.00 0.00 C ATOM 1402 O ILE B 36 88.966 -17.345 35.356 1.00 0.00 O ATOM 1403 CB ILE B 36 91.563 -17.172 33.321 1.00 0.00 C ATOM 1404 CG1 ILE B 36 91.880 -17.333 31.834 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.551 -18.552 33.986 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.348 -17.721 31.659 1.00 0.00 C ATOM 0 H ILE B 36 91.180 -14.771 32.727 1.00 0.00 H new ATOM 0 HA ILE B 36 89.474 -17.079 32.865 1.00 0.00 H new ATOM 0 HB ILE B 36 92.318 -16.549 33.801 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.237 -18.097 31.396 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.674 -16.402 31.306 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.532 -19.015 33.881 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.312 -18.444 35.044 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.800 -19.180 33.507 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.570 -17.835 30.598 1.00 0.00 H new ATOM 0 HD12 ILE B 36 93.983 -16.942 32.081 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.539 -18.663 32.173 1.00 0.00 H new ATOM 1418 N VAL B 37 90.258 -15.601 35.703 1.00 0.00 N ATOM 1419 CA VAL B 37 89.872 -15.533 37.139 1.00 0.00 C ATOM 1420 C VAL B 37 88.374 -15.240 37.221 1.00 0.00 C ATOM 1421 O VAL B 37 87.662 -15.786 38.039 1.00 0.00 O ATOM 1422 CB VAL B 37 90.663 -14.407 37.816 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.111 -14.149 39.221 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.137 -14.810 37.906 1.00 0.00 C ATOM 0 H VAL B 37 90.922 -14.889 35.399 1.00 0.00 H new ATOM 0 HA VAL B 37 90.091 -16.475 37.642 1.00 0.00 H new ATOM 0 HB VAL B 37 90.568 -13.495 37.227 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.679 -13.348 39.694 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.063 -13.859 39.152 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.198 -15.057 39.818 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.704 -14.012 38.387 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.229 -15.724 38.492 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.529 -14.980 36.903 1.00 0.00 H new ATOM 1434 N ALA B 38 87.898 -14.380 36.365 1.00 0.00 N ATOM 1435 CA ALA B 38 86.449 -14.038 36.363 1.00 0.00 C ATOM 1436 C ALA B 38 85.640 -15.241 35.868 1.00 0.00 C ATOM 1437 O ALA B 38 84.563 -15.518 36.356 1.00 0.00 O ATOM 1438 CB ALA B 38 86.213 -12.843 35.437 1.00 0.00 C ATOM 0 H ALA B 38 88.455 -13.896 35.661 1.00 0.00 H new ATOM 0 HA ALA B 38 86.132 -13.783 37.374 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.153 -12.590 35.433 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.789 -11.988 35.792 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.529 -13.099 34.426 1.00 0.00 H new ATOM 1444 N SER B 39 86.149 -15.957 34.901 1.00 0.00 N ATOM 1445 CA SER B 39 85.402 -17.137 34.378 1.00 0.00 C ATOM 1446 C SER B 39 85.439 -18.257 35.416 1.00 0.00 C ATOM 1447 O SER B 39 84.459 -18.939 35.639 1.00 0.00 O ATOM 1448 CB SER B 39 86.037 -17.617 33.073 1.00 0.00 C ATOM 1449 OG SER B 39 85.911 -16.597 32.091 1.00 0.00 O ATOM 0 H SER B 39 87.047 -15.776 34.452 1.00 0.00 H new ATOM 0 HA SER B 39 84.367 -16.855 34.184 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.088 -17.857 33.233 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.550 -18.530 32.731 1.00 0.00 H new ATOM 0 HG SER B 39 86.655 -16.660 31.456 1.00 0.00 H new ATOM 1455 N CYS B 40 86.553 -18.444 36.068 1.00 0.00 N ATOM 1456 CA CYS B 40 86.625 -19.509 37.104 1.00 0.00 C ATOM 1457 C CYS B 40 85.886 -19.010 38.350 1.00 0.00 C ATOM 1458 O CYS B 40 86.353 -18.139 39.057 1.00 0.00 O ATOM 1459 CB CYS B 40 88.091 -19.804 37.439 1.00 0.00 C ATOM 1460 SG CYS B 40 88.210 -21.376 38.331 1.00 0.00 S ATOM 0 H CYS B 40 87.410 -17.909 35.929 1.00 0.00 H new ATOM 0 HA CYS B 40 86.164 -20.428 36.741 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.681 -19.849 36.524 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.504 -18.998 38.046 1.00 0.00 H new ATOM 1465 N ASP B 41 84.724 -19.545 38.604 1.00 0.00 N ATOM 1466 CA ASP B 41 83.922 -19.102 39.782 1.00 0.00 C ATOM 1467 C ASP B 41 84.697 -19.340 41.073 1.00 0.00 C ATOM 1468 O ASP B 41 84.657 -18.542 41.989 1.00 0.00 O ATOM 1469 CB ASP B 41 82.606 -19.882 39.830 1.00 0.00 C ATOM 1470 CG ASP B 41 81.685 -19.399 38.709 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.246 -18.262 38.778 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.432 -20.174 37.801 1.00 0.00 O ATOM 0 H ASP B 41 84.291 -20.277 38.041 1.00 0.00 H new ATOM 0 HA ASP B 41 83.716 -18.036 39.684 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.799 -20.949 39.722 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.123 -19.742 40.797 1.00 0.00 H new ATOM 1477 N LYS B 42 85.383 -20.439 41.168 1.00 0.00 N ATOM 1478 CA LYS B 42 86.134 -20.738 42.415 1.00 0.00 C ATOM 1479 C LYS B 42 87.169 -19.637 42.674 1.00 0.00 C ATOM 1480 O LYS B 42 87.366 -19.221 43.799 1.00 0.00 O ATOM 1481 CB LYS B 42 86.834 -22.092 42.269 1.00 0.00 C ATOM 1482 CG LYS B 42 85.779 -23.208 42.276 1.00 0.00 C ATOM 1483 CD LYS B 42 86.453 -24.589 42.234 1.00 0.00 C ATOM 1484 CE LYS B 42 86.851 -24.950 40.796 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.630 -25.021 39.943 1.00 0.00 N ATOM 0 H LYS B 42 85.457 -21.145 40.436 1.00 0.00 H new ATOM 0 HA LYS B 42 85.444 -20.777 43.258 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.406 -22.121 41.342 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.542 -22.239 43.085 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.161 -23.126 43.170 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.116 -23.095 41.418 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.336 -24.589 42.873 1.00 0.00 H new ATOM 0 HD3 LYS B 42 85.774 -25.344 42.630 1.00 0.00 H new ATOM 0 HE2 LYS B 42 87.541 -24.204 40.400 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.373 -25.907 40.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.792 -25.686 39.160 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.826 -25.349 40.515 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.420 -24.078 39.558 1.00 0.00 H new ATOM 1499 N CYS B 43 87.828 -19.151 41.657 1.00 0.00 N ATOM 1500 CA CYS B 43 88.833 -18.070 41.884 1.00 0.00 C ATOM 1501 C CYS B 43 88.117 -16.742 42.145 1.00 0.00 C ATOM 1502 O CYS B 43 88.563 -15.925 42.925 1.00 0.00 O ATOM 1503 CB CYS B 43 89.713 -17.894 40.645 1.00 0.00 C ATOM 1504 SG CYS B 43 90.611 -19.421 40.296 1.00 0.00 S ATOM 0 H CYS B 43 87.717 -19.451 40.688 1.00 0.00 H new ATOM 0 HA CYS B 43 89.445 -18.350 42.741 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.097 -17.622 39.788 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.417 -17.077 40.803 1.00 0.00 H new ATOM 1509 N GLN B 44 87.025 -16.509 41.468 1.00 0.00 N ATOM 1510 CA GLN B 44 86.292 -15.221 41.640 1.00 0.00 C ATOM 1511 C GLN B 44 85.516 -15.215 42.960 1.00 0.00 C ATOM 1512 O GLN B 44 85.910 -14.581 43.918 1.00 0.00 O ATOM 1513 CB GLN B 44 85.313 -15.050 40.474 1.00 0.00 C ATOM 1514 CG GLN B 44 84.623 -13.687 40.565 1.00 0.00 C ATOM 1515 CD GLN B 44 83.649 -13.530 39.395 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.755 -12.709 39.440 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.784 -14.289 38.340 1.00 0.00 N ATOM 0 H GLN B 44 86.607 -17.158 40.801 1.00 0.00 H new ATOM 0 HA GLN B 44 87.010 -14.401 41.656 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.845 -15.135 39.526 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.568 -15.846 40.494 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.089 -13.600 41.511 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.365 -12.889 40.544 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.534 -14.979 38.301 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.139 -14.192 37.556 1.00 0.00 H new ATOM 1526 N LEU B 45 84.414 -15.908 43.014 1.00 0.00 N ATOM 1527 CA LEU B 45 83.611 -15.929 44.270 1.00 0.00 C ATOM 1528 C LEU B 45 84.352 -16.737 45.335 1.00 0.00 C ATOM 1529 O LEU B 45 84.941 -17.763 45.053 1.00 0.00 O ATOM 1530 CB LEU B 45 82.250 -16.571 43.993 1.00 0.00 C ATOM 1531 CG LEU B 45 81.543 -15.816 42.860 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.197 -16.486 42.570 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.315 -14.347 43.264 1.00 0.00 C ATOM 0 H LEU B 45 84.034 -16.460 42.245 1.00 0.00 H new ATOM 0 HA LEU B 45 83.465 -14.909 44.627 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.380 -17.618 43.720 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.637 -16.551 44.894 1.00 0.00 H new ATOM 0 HG LEU B 45 82.167 -15.842 41.966 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.691 -15.953 41.765 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.363 -17.521 42.271 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.578 -16.462 43.467 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.813 -13.820 42.453 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.696 -14.308 44.160 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.275 -13.872 43.465 1.00 0.00 H new ATOM 1545 N LYS B 46 84.333 -16.280 46.559 1.00 0.00 N ATOM 1546 CA LYS B 46 85.038 -17.013 47.651 1.00 0.00 C ATOM 1547 C LYS B 46 84.050 -17.946 48.353 1.00 0.00 C ATOM 1548 O LYS B 46 84.433 -18.879 49.030 1.00 0.00 O ATOM 1549 CB LYS B 46 85.586 -15.996 48.660 1.00 0.00 C ATOM 1550 CG LYS B 46 86.545 -15.014 47.959 1.00 0.00 C ATOM 1551 CD LYS B 46 87.961 -15.620 47.843 1.00 0.00 C ATOM 1552 CE LYS B 46 88.783 -15.282 49.091 1.00 0.00 C ATOM 1553 NZ LYS B 46 90.112 -15.952 49.004 1.00 0.00 N ATOM 0 H LYS B 46 83.857 -15.426 46.851 1.00 0.00 H new ATOM 0 HA LYS B 46 85.858 -17.599 47.236 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.763 -15.447 49.118 1.00 0.00 H new ATOM 0 HB3 LYS B 46 86.109 -16.515 49.463 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.165 -14.774 46.966 1.00 0.00 H new ATOM 0 HG3 LYS B 46 86.589 -14.080 48.518 1.00 0.00 H new ATOM 0 HD2 LYS B 46 87.893 -16.701 47.725 1.00 0.00 H new ATOM 0 HD3 LYS B 46 88.459 -15.233 46.954 1.00 0.00 H new ATOM 0 HE2 LYS B 46 88.912 -14.203 49.174 1.00 0.00 H new ATOM 0 HE3 LYS B 46 88.256 -15.610 49.987 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 90.672 -15.724 49.850 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 89.978 -16.982 48.944 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 90.614 -15.618 48.157 1.00 0.00 H new ATOM 1567 N GLY B 47 82.777 -17.699 48.196 1.00 0.00 N ATOM 1568 CA GLY B 47 81.755 -18.565 48.852 1.00 0.00 C ATOM 1569 C GLY B 47 81.507 -18.076 50.281 1.00 0.00 C ATOM 1570 O GLY B 47 80.575 -18.497 50.936 1.00 0.00 O ATOM 0 H GLY B 47 82.400 -16.932 47.640 1.00 0.00 H new ATOM 0 HA2 GLY B 47 80.826 -18.543 48.283 1.00 0.00 H new ATOM 0 HA3 GLY B 47 82.096 -19.600 48.865 1.00 0.00 H new ATOM 1574 N GLU B 48 82.333 -17.189 50.769 1.00 0.00 N ATOM 1575 CA GLU B 48 82.142 -16.672 52.157 1.00 0.00 C ATOM 1576 C GLU B 48 81.126 -15.522 52.140 1.00 0.00 C ATOM 1577 O GLU B 48 80.658 -15.077 53.169 1.00 0.00 O ATOM 1578 CB GLU B 48 83.486 -16.166 52.696 1.00 0.00 C ATOM 1579 CG GLU B 48 83.352 -15.828 54.184 1.00 0.00 C ATOM 1580 CD GLU B 48 84.729 -15.495 54.761 1.00 0.00 C ATOM 1581 OE1 GLU B 48 85.711 -15.961 54.208 1.00 0.00 O ATOM 1582 OE2 GLU B 48 84.779 -14.779 55.747 1.00 0.00 O ATOM 0 H GLU B 48 83.131 -16.800 50.267 1.00 0.00 H new ATOM 0 HA GLU B 48 81.769 -17.470 52.799 1.00 0.00 H new ATOM 0 HB2 GLU B 48 84.255 -16.925 52.554 1.00 0.00 H new ATOM 0 HB3 GLU B 48 83.803 -15.284 52.140 1.00 0.00 H new ATOM 0 HG2 GLU B 48 82.677 -14.982 54.316 1.00 0.00 H new ATOM 0 HG3 GLU B 48 82.916 -16.670 54.721 1.00 0.00 H new ATOM 1589 N ALA B 49 80.786 -15.035 50.975 1.00 0.00 N ATOM 1590 CA ALA B 49 79.808 -13.909 50.885 1.00 0.00 C ATOM 1591 C ALA B 49 78.440 -14.354 51.397 1.00 0.00 C ATOM 1592 O ALA B 49 77.557 -13.549 51.600 1.00 0.00 O ATOM 1593 CB ALA B 49 79.667 -13.476 49.425 1.00 0.00 C ATOM 0 H ALA B 49 81.144 -15.369 50.080 1.00 0.00 H new ATOM 0 HA ALA B 49 80.171 -13.080 51.493 1.00 0.00 H new ATOM 0 HB1 ALA B 49 78.954 -12.654 49.356 1.00 0.00 H new ATOM 0 HB2 ALA B 49 80.636 -13.148 49.048 1.00 0.00 H new ATOM 0 HB3 ALA B 49 79.311 -14.316 48.829 1.00 0.00 H new ATOM 1599 N MET B 50 78.247 -15.625 51.592 1.00 0.00 N ATOM 1600 CA MET B 50 76.920 -16.109 52.065 1.00 0.00 C ATOM 1601 C MET B 50 76.571 -15.492 53.422 1.00 0.00 C ATOM 1602 O MET B 50 76.311 -14.310 53.527 1.00 0.00 O ATOM 1603 CB MET B 50 76.965 -17.629 52.192 1.00 0.00 C ATOM 1604 CG MET B 50 77.162 -18.248 50.808 1.00 0.00 C ATOM 1605 SD MET B 50 77.218 -20.051 50.946 1.00 0.00 S ATOM 1606 CE MET B 50 77.474 -20.399 49.188 1.00 0.00 C ATOM 0 H MET B 50 78.948 -16.351 51.445 1.00 0.00 H new ATOM 0 HA MET B 50 76.156 -15.813 51.346 1.00 0.00 H new ATOM 0 HB2 MET B 50 77.778 -17.926 52.854 1.00 0.00 H new ATOM 0 HB3 MET B 50 76.040 -17.995 52.638 1.00 0.00 H new ATOM 0 HG2 MET B 50 76.348 -17.950 50.147 1.00 0.00 H new ATOM 0 HG3 MET B 50 78.086 -17.879 50.363 1.00 0.00 H new ATOM 0 HE1 MET B 50 77.540 -21.476 49.036 1.00 0.00 H new ATOM 0 HE2 MET B 50 76.638 -20.002 48.613 1.00 0.00 H new ATOM 0 HE3 MET B 50 78.399 -19.929 48.855 1.00 0.00 H new ATOM 1616 N HIS B 51 76.549 -16.284 54.460 1.00 0.00 N ATOM 1617 CA HIS B 51 76.197 -15.740 55.804 1.00 0.00 C ATOM 1618 C HIS B 51 77.439 -15.143 56.464 1.00 0.00 C ATOM 1619 O HIS B 51 78.486 -15.759 56.516 1.00 0.00 O ATOM 1620 CB HIS B 51 75.642 -16.868 56.680 1.00 0.00 C ATOM 1621 CG HIS B 51 74.352 -17.375 56.093 1.00 0.00 C ATOM 1622 ND1 HIS B 51 73.160 -16.671 56.208 1.00 0.00 N ATOM 1623 CD2 HIS B 51 74.047 -18.512 55.384 1.00 0.00 C ATOM 1624 CE1 HIS B 51 72.205 -17.385 55.584 1.00 0.00 C ATOM 1625 NE2 HIS B 51 72.693 -18.513 55.066 1.00 0.00 N ATOM 0 H HIS B 51 76.759 -17.282 54.436 1.00 0.00 H new ATOM 0 HA HIS B 51 75.443 -14.961 55.691 1.00 0.00 H new ATOM 0 HB2 HIS B 51 76.366 -17.680 56.747 1.00 0.00 H new ATOM 0 HB3 HIS B 51 75.474 -16.505 57.694 1.00 0.00 H new ATOM 0 HD2 HIS B 51 74.751 -19.286 55.115 1.00 0.00 H new ATOM 0 HE1 HIS B 51 71.171 -17.082 55.512 1.00 0.00 H new ATOM 0 HE2 HIS B 51 72.181 -19.226 54.546 1.00 0.00 H new ATOM 1633 N GLY B 52 77.327 -13.947 56.973 1.00 0.00 N ATOM 1634 CA GLY B 52 78.494 -13.300 57.640 1.00 0.00 C ATOM 1635 C GLY B 52 78.544 -13.743 59.102 1.00 0.00 C ATOM 1636 O GLY B 52 79.303 -14.615 59.471 1.00 0.00 O ATOM 0 H GLY B 52 76.474 -13.387 56.956 1.00 0.00 H new ATOM 0 HA2 GLY B 52 79.418 -13.576 57.132 1.00 0.00 H new ATOM 0 HA3 GLY B 52 78.408 -12.215 57.579 1.00 0.00 H new ATOM 1640 N GLN B 53 77.733 -13.150 59.938 1.00 0.00 N ATOM 1641 CA GLN B 53 77.726 -13.540 61.376 1.00 0.00 C ATOM 1642 C GLN B 53 76.334 -13.271 61.953 1.00 0.00 C ATOM 1643 O GLN B 53 75.872 -12.148 61.981 1.00 0.00 O ATOM 1644 CB GLN B 53 78.771 -12.716 62.133 1.00 0.00 C ATOM 1645 CG GLN B 53 78.794 -13.136 63.605 1.00 0.00 C ATOM 1646 CD GLN B 53 79.840 -12.309 64.354 1.00 0.00 C ATOM 1647 OE1 GLN B 53 80.629 -11.613 63.747 1.00 0.00 O ATOM 1648 NE2 GLN B 53 79.872 -12.347 65.657 1.00 0.00 N ATOM 0 H GLN B 53 77.075 -12.412 59.686 1.00 0.00 H new ATOM 0 HA GLN B 53 77.967 -14.598 61.478 1.00 0.00 H new ATOM 0 HB2 GLN B 53 79.755 -12.862 61.688 1.00 0.00 H new ATOM 0 HB3 GLN B 53 78.539 -11.654 62.052 1.00 0.00 H new ATOM 0 HG2 GLN B 53 77.811 -12.989 64.052 1.00 0.00 H new ATOM 0 HG3 GLN B 53 79.027 -14.198 63.688 1.00 0.00 H new ATOM 0 HE21 GLN B 53 79.209 -12.931 66.167 1.00 0.00 H new ATOM 0 HE22 GLN B 53 80.560 -11.792 66.167 1.00 0.00 H new ATOM 1657 N VAL B 54 75.658 -14.298 62.406 1.00 0.00 N ATOM 1658 CA VAL B 54 74.286 -14.118 62.979 1.00 0.00 C ATOM 1659 C VAL B 54 74.345 -14.232 64.505 1.00 0.00 C ATOM 1660 O VAL B 54 74.992 -15.106 65.047 1.00 0.00 O ATOM 1661 CB VAL B 54 73.372 -15.210 62.423 1.00 0.00 C ATOM 1662 CG1 VAL B 54 73.332 -15.112 60.897 1.00 0.00 C ATOM 1663 CG2 VAL B 54 73.915 -16.583 62.828 1.00 0.00 C ATOM 0 H VAL B 54 75.999 -15.259 62.404 1.00 0.00 H new ATOM 0 HA VAL B 54 73.900 -13.135 62.708 1.00 0.00 H new ATOM 0 HB VAL B 54 72.367 -15.081 62.824 1.00 0.00 H new ATOM 0 HG11 VAL B 54 72.681 -15.890 60.499 1.00 0.00 H new ATOM 0 HG12 VAL B 54 72.949 -14.134 60.605 1.00 0.00 H new ATOM 0 HG13 VAL B 54 74.338 -15.242 60.498 1.00 0.00 H new ATOM 0 HG21 VAL B 54 73.264 -17.363 62.432 1.00 0.00 H new ATOM 0 HG22 VAL B 54 74.920 -16.710 62.425 1.00 0.00 H new ATOM 0 HG23 VAL B 54 73.948 -16.655 63.915 1.00 0.00 H new ATOM 1673 N ASP B 55 73.671 -13.356 65.204 1.00 0.00 N ATOM 1674 CA ASP B 55 73.684 -13.415 66.697 1.00 0.00 C ATOM 1675 C ASP B 55 72.389 -12.808 67.242 1.00 0.00 C ATOM 1676 O ASP B 55 72.255 -11.597 67.183 1.00 0.00 O ATOM 1677 CB ASP B 55 74.881 -12.628 67.233 1.00 0.00 C ATOM 1678 CG ASP B 55 75.050 -12.913 68.728 1.00 0.00 C ATOM 1679 OD1 ASP B 55 74.051 -12.904 69.428 1.00 0.00 O ATOM 1680 OD2 ASP B 55 76.175 -13.133 69.145 1.00 0.00 O ATOM 1681 OXT ASP B 55 71.556 -13.565 67.714 1.00 0.00 O ATOM 0 H ASP B 55 73.112 -12.602 64.806 1.00 0.00 H new ATOM 0 HA ASP B 55 73.763 -14.454 67.017 1.00 0.00 H new ATOM 0 HB2 ASP B 55 75.786 -12.909 66.694 1.00 0.00 H new ATOM 0 HB3 ASP B 55 74.731 -11.561 67.070 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.524 -1.366 35.802 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.355 -21.484 39.335 1.00 0.00 ZN