USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -0.24 K(o=-0.95,f=-1.9) USER MOD Set 1.2: B 44 GLN : amide:sc= -0.712 K(o=-0.95,f=-2.2) USER MOD Single : A 1 PHE N :NH3+ 144:sc= 1.05 (180deg=0.215) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= -0.307 (180deg=-1.14) USER MOD Single : A 15 TYR OH : rot -47:sc= 0.888 USER MOD Single : A 16 HIS : no HD1:sc= -1.94 X(o=-1.9,f=-2.4) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0113 K(o=-0.011,f=-1.9!) USER MOD Single : A 22 MET CE :methyl 157:sc= -0.198 (180deg=-1.32) USER MOD Single : A 24 SER OG : rot 78:sc= 0.12 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.148 F(o=-1.2,f=-0.15) USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= -0.246 (180deg=-1.25!) USER MOD Single : A 39 SER OG : rot 73:sc= 0.00925 USER MOD Single : A 42 LYS NZ :NH3+ -140:sc= -0.107 (180deg=-0.711) USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= -0.0354 (180deg=-0.373) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : B 1 PHE N :NH3+ 133:sc= 1.02 (180deg=0.205) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : B 14 LYS NZ :NH3+ -160:sc= -0.198 (180deg=-1.07) USER MOD Single : B 15 TYR OH : rot -45:sc= 0.852 USER MOD Single : B 16 HIS : no HD1:sc= -2.03 X(o=-2,f=-2.4) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0454 K(o=-0.045,f=-1.9!) USER MOD Single : B 22 MET CE :methyl 158:sc= -0.195 (180deg=-1.33) USER MOD Single : B 24 SER OG : rot 78:sc= 0.123 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.105 F(o=-1.1,f=-0.11) USER MOD Single : B 34 LYS NZ :NH3+ 141:sc= -0.153 (180deg=-1.22!) USER MOD Single : B 39 SER OG : rot 73:sc= 0.0129 USER MOD Single : B 42 LYS NZ :NH3+ -140:sc= -0.0522 (180deg=-0.727) USER MOD Single : B 46 LYS NZ :NH3+ 162:sc= -0.0471 (180deg=-0.364) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc=-0.00757 X(o=-0.0076,f=0) USER MOD Single : B 53 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.261 -4.528 24.225 1.00 0.00 N ATOM 2 CA PHE A 1 94.969 -3.721 25.260 1.00 0.00 C ATOM 3 C PHE A 1 94.982 -2.255 24.837 1.00 0.00 C ATOM 4 O PHE A 1 96.026 -1.664 24.642 1.00 0.00 O ATOM 5 CB PHE A 1 96.407 -4.204 25.382 1.00 0.00 C ATOM 6 CG PHE A 1 96.443 -5.712 25.468 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.123 -6.355 26.670 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.807 -6.467 24.345 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.168 -7.755 26.748 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.854 -7.863 24.425 1.00 0.00 C ATOM 11 CZ PHE A 1 96.535 -8.506 25.625 1.00 0.00 C ATOM 0 H1 PHE A 1 94.720 -5.457 24.135 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.268 -4.659 24.506 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.300 -4.032 23.312 1.00 0.00 H new ATOM 0 HA PHE A 1 94.456 -3.831 26.215 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.986 -3.867 24.522 1.00 0.00 H new ATOM 0 HB3 PHE A 1 96.870 -3.770 26.268 1.00 0.00 H new ATOM 0 HD1 PHE A 1 95.842 -5.774 27.536 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.051 -5.971 23.417 1.00 0.00 H new ATOM 0 HE1 PHE A 1 95.920 -8.253 27.674 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.137 -8.444 23.560 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.572 -9.584 25.686 1.00 0.00 H new ATOM 23 N LEU A 2 93.834 -1.671 24.678 1.00 0.00 N ATOM 24 CA LEU A 2 93.766 -0.240 24.247 1.00 0.00 C ATOM 25 C LEU A 2 93.626 0.683 25.451 1.00 0.00 C ATOM 26 O LEU A 2 92.982 0.367 26.425 1.00 0.00 O ATOM 27 CB LEU A 2 92.569 -0.041 23.311 1.00 0.00 C ATOM 28 CG LEU A 2 92.713 -0.931 22.070 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.472 -0.767 21.188 1.00 0.00 C ATOM 30 CD2 LEU A 2 93.968 -0.533 21.271 1.00 0.00 C ATOM 0 H LEU A 2 92.930 -2.120 24.827 1.00 0.00 H new ATOM 0 HA LEU A 2 94.690 0.007 23.725 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.644 -0.282 23.835 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.502 1.005 23.012 1.00 0.00 H new ATOM 0 HG LEU A 2 92.811 -1.970 22.384 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.568 -1.397 20.304 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.585 -1.062 21.749 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.378 0.275 20.882 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.058 -1.172 20.393 1.00 0.00 H new ATOM 0 HD22 LEU A 2 93.884 0.507 20.955 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.851 -0.651 21.898 1.00 0.00 H new ATOM 42 N ASP A 3 94.222 1.839 25.378 1.00 0.00 N ATOM 43 CA ASP A 3 94.113 2.803 26.504 1.00 0.00 C ATOM 44 C ASP A 3 92.638 3.135 26.699 1.00 0.00 C ATOM 45 O ASP A 3 92.153 3.239 27.808 1.00 0.00 O ATOM 46 CB ASP A 3 94.890 4.080 26.168 1.00 0.00 C ATOM 47 CG ASP A 3 96.390 3.780 26.182 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.781 2.843 26.857 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.122 4.496 25.517 1.00 0.00 O ATOM 0 H ASP A 3 94.780 2.157 24.586 1.00 0.00 H new ATOM 0 HA ASP A 3 94.528 2.371 27.415 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.592 4.453 25.188 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.657 4.861 26.891 1.00 0.00 H new ATOM 54 N GLY A 4 91.918 3.287 25.621 1.00 0.00 N ATOM 55 CA GLY A 4 90.466 3.595 25.727 1.00 0.00 C ATOM 56 C GLY A 4 89.825 2.630 26.722 1.00 0.00 C ATOM 57 O GLY A 4 88.730 2.847 27.200 1.00 0.00 O ATOM 0 H GLY A 4 92.275 3.211 24.669 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.322 4.625 26.055 1.00 0.00 H new ATOM 0 HA3 GLY A 4 89.989 3.502 24.751 1.00 0.00 H new ATOM 61 N ILE A 5 90.504 1.567 27.051 1.00 0.00 N ATOM 62 CA ILE A 5 89.935 0.608 28.031 1.00 0.00 C ATOM 63 C ILE A 5 89.702 1.340 29.354 1.00 0.00 C ATOM 64 O ILE A 5 88.682 1.176 29.992 1.00 0.00 O ATOM 65 CB ILE A 5 90.894 -0.572 28.217 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.888 -1.426 26.948 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.444 -1.423 29.409 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.041 -2.436 27.000 1.00 0.00 C ATOM 0 H ILE A 5 91.424 1.323 26.684 1.00 0.00 H new ATOM 0 HA ILE A 5 88.985 0.215 27.669 1.00 0.00 H new ATOM 0 HB ILE A 5 91.900 -0.198 28.406 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.937 -1.950 26.855 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.989 -0.789 26.069 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.129 -2.261 29.537 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.444 -0.813 30.312 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.438 -1.801 29.227 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.034 -3.043 26.095 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.989 -1.903 27.072 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.921 -3.081 27.870 1.00 0.00 H new ATOM 80 N ASP A 6 90.624 2.174 29.755 1.00 0.00 N ATOM 81 CA ASP A 6 90.425 2.941 31.017 1.00 0.00 C ATOM 82 C ASP A 6 89.166 3.792 30.862 1.00 0.00 C ATOM 83 O ASP A 6 88.370 3.927 31.771 1.00 0.00 O ATOM 84 CB ASP A 6 91.634 3.848 31.271 1.00 0.00 C ATOM 85 CG ASP A 6 91.423 4.633 32.570 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.304 4.647 33.057 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.383 5.209 33.053 1.00 0.00 O ATOM 0 H ASP A 6 91.501 2.356 29.266 1.00 0.00 H new ATOM 0 HA ASP A 6 90.319 2.258 31.860 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.542 3.250 31.339 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.767 4.536 30.436 1.00 0.00 H new ATOM 92 N LYS A 7 88.982 4.359 29.702 1.00 0.00 N ATOM 93 CA LYS A 7 87.778 5.197 29.451 1.00 0.00 C ATOM 94 C LYS A 7 86.529 4.322 29.559 1.00 0.00 C ATOM 95 O LYS A 7 85.507 4.737 30.068 1.00 0.00 O ATOM 96 CB LYS A 7 87.869 5.810 28.048 1.00 0.00 C ATOM 97 CG LYS A 7 86.639 6.677 27.771 1.00 0.00 C ATOM 98 CD LYS A 7 86.755 7.283 26.372 1.00 0.00 C ATOM 99 CE LYS A 7 85.468 8.033 26.034 1.00 0.00 C ATOM 100 NZ LYS A 7 85.695 8.889 24.837 1.00 0.00 N ATOM 0 H LYS A 7 89.620 4.276 28.911 1.00 0.00 H new ATOM 0 HA LYS A 7 87.722 5.999 30.187 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.774 6.412 27.964 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.942 5.019 27.301 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.732 6.077 27.846 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.561 7.468 28.517 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.607 7.962 26.328 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.935 6.498 25.638 1.00 0.00 H new ATOM 0 HE2 LYS A 7 84.662 7.325 25.841 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.158 8.646 26.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 84.820 9.401 24.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.453 9.572 25.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.971 8.293 24.031 1.00 0.00 H new ATOM 114 N ALA A 8 86.602 3.113 29.075 1.00 0.00 N ATOM 115 CA ALA A 8 85.419 2.211 29.142 1.00 0.00 C ATOM 116 C ALA A 8 85.006 2.010 30.603 1.00 0.00 C ATOM 117 O ALA A 8 83.836 1.914 30.916 1.00 0.00 O ATOM 118 CB ALA A 8 85.773 0.860 28.520 1.00 0.00 C ATOM 0 H ALA A 8 87.430 2.711 28.636 1.00 0.00 H new ATOM 0 HA ALA A 8 84.591 2.659 28.592 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.908 0.199 28.569 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.062 1.003 27.479 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.602 0.413 29.068 1.00 0.00 H new ATOM 124 N GLN A 9 85.950 1.942 31.502 1.00 0.00 N ATOM 125 CA GLN A 9 85.586 1.746 32.934 1.00 0.00 C ATOM 126 C GLN A 9 84.705 2.909 33.395 1.00 0.00 C ATOM 127 O GLN A 9 83.709 2.720 34.063 1.00 0.00 O ATOM 128 CB GLN A 9 86.861 1.702 33.783 1.00 0.00 C ATOM 129 CG GLN A 9 87.621 0.407 33.492 1.00 0.00 C ATOM 130 CD GLN A 9 88.902 0.362 34.329 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.922 0.819 35.454 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.975 -0.184 33.826 1.00 0.00 N ATOM 0 H GLN A 9 86.949 2.013 31.309 1.00 0.00 H new ATOM 0 HA GLN A 9 85.042 0.808 33.049 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.490 2.564 33.559 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.608 1.758 34.842 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.994 -0.454 33.723 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.866 0.348 32.431 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.957 -0.568 32.881 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.832 -0.227 34.378 1.00 0.00 H new ATOM 141 N GLU A 10 85.059 4.110 33.030 1.00 0.00 N ATOM 142 CA GLU A 10 84.241 5.288 33.430 1.00 0.00 C ATOM 143 C GLU A 10 82.834 5.169 32.838 1.00 0.00 C ATOM 144 O GLU A 10 81.850 5.508 33.466 1.00 0.00 O ATOM 145 CB GLU A 10 84.904 6.568 32.917 1.00 0.00 C ATOM 146 CG GLU A 10 84.155 7.785 33.465 1.00 0.00 C ATOM 147 CD GLU A 10 84.897 9.063 33.072 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.996 8.950 32.554 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.355 10.133 33.296 1.00 0.00 O ATOM 0 H GLU A 10 85.883 4.327 32.470 1.00 0.00 H new ATOM 0 HA GLU A 10 84.171 5.324 34.517 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.948 6.600 33.228 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.896 6.583 31.827 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.139 7.807 33.072 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.075 7.718 34.550 1.00 0.00 H new ATOM 156 N GLU A 11 82.738 4.712 31.619 1.00 0.00 N ATOM 157 CA GLU A 11 81.407 4.591 30.951 1.00 0.00 C ATOM 158 C GLU A 11 80.808 3.200 31.199 1.00 0.00 C ATOM 159 O GLU A 11 79.734 2.889 30.725 1.00 0.00 O ATOM 160 CB GLU A 11 81.595 4.802 29.448 1.00 0.00 C ATOM 161 CG GLU A 11 82.174 6.199 29.203 1.00 0.00 C ATOM 162 CD GLU A 11 82.428 6.393 27.708 1.00 0.00 C ATOM 163 OE1 GLU A 11 82.278 5.432 26.972 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.776 7.498 27.325 1.00 0.00 O ATOM 0 H GLU A 11 83.531 4.414 31.051 1.00 0.00 H new ATOM 0 HA GLU A 11 80.728 5.340 31.359 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.263 4.042 29.043 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.641 4.695 28.932 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.483 6.959 29.566 1.00 0.00 H new ATOM 0 HG3 GLU A 11 83.103 6.321 29.759 1.00 0.00 H new ATOM 171 N CYS A 12 81.483 2.358 31.934 1.00 0.00 N ATOM 172 CA CYS A 12 80.929 0.996 32.196 1.00 0.00 C ATOM 173 C CYS A 12 79.477 1.116 32.663 1.00 0.00 C ATOM 174 O CYS A 12 78.620 0.347 32.275 1.00 0.00 O ATOM 175 CB CYS A 12 81.753 0.312 33.288 1.00 0.00 C ATOM 176 SG CYS A 12 81.110 -1.357 33.575 1.00 0.00 S ATOM 0 H CYS A 12 82.388 2.551 32.362 1.00 0.00 H new ATOM 0 HA CYS A 12 80.972 0.406 31.280 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.801 0.263 32.991 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.709 0.893 34.209 1.00 0.00 H new ATOM 181 N GLU A 13 79.200 2.077 33.496 1.00 0.00 N ATOM 182 CA GLU A 13 77.811 2.264 34.001 1.00 0.00 C ATOM 183 C GLU A 13 76.865 2.527 32.823 1.00 0.00 C ATOM 184 O GLU A 13 75.738 2.069 32.803 1.00 0.00 O ATOM 185 CB GLU A 13 77.788 3.451 34.965 1.00 0.00 C ATOM 186 CG GLU A 13 78.532 3.067 36.247 1.00 0.00 C ATOM 187 CD GLU A 13 78.531 4.249 37.219 1.00 0.00 C ATOM 188 OE1 GLU A 13 78.108 5.320 36.819 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.953 4.060 38.349 1.00 0.00 O ATOM 0 H GLU A 13 79.881 2.747 33.852 1.00 0.00 H new ATOM 0 HA GLU A 13 77.482 1.365 34.522 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.257 4.320 34.503 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.760 3.729 35.196 1.00 0.00 H new ATOM 0 HG2 GLU A 13 78.056 2.203 36.710 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.556 2.778 36.012 1.00 0.00 H new ATOM 196 N LYS A 14 77.311 3.270 31.849 1.00 0.00 N ATOM 197 CA LYS A 14 76.440 3.578 30.677 1.00 0.00 C ATOM 198 C LYS A 14 76.080 2.284 29.944 1.00 0.00 C ATOM 199 O LYS A 14 74.965 2.107 29.495 1.00 0.00 O ATOM 200 CB LYS A 14 77.178 4.520 29.724 1.00 0.00 C ATOM 201 CG LYS A 14 77.304 5.891 30.383 1.00 0.00 C ATOM 202 CD LYS A 14 78.042 6.851 29.446 1.00 0.00 C ATOM 203 CE LYS A 14 78.166 8.223 30.113 1.00 0.00 C ATOM 204 NZ LYS A 14 76.876 8.579 30.774 1.00 0.00 N ATOM 0 H LYS A 14 78.245 3.679 31.813 1.00 0.00 H new ATOM 0 HA LYS A 14 75.526 4.058 31.026 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.165 4.122 29.490 1.00 0.00 H new ATOM 0 HB3 LYS A 14 76.636 4.603 28.782 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.315 6.285 30.616 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.843 5.803 31.326 1.00 0.00 H new ATOM 0 HD2 LYS A 14 79.031 6.458 29.212 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.503 6.941 28.503 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.971 8.209 30.848 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.425 8.977 29.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 76.836 9.607 30.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.083 8.287 30.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 76.809 8.091 31.690 1.00 0.00 H new ATOM 218 N TYR A 15 77.012 1.376 29.814 1.00 0.00 N ATOM 219 CA TYR A 15 76.709 0.097 29.107 1.00 0.00 C ATOM 220 C TYR A 15 76.134 -0.906 30.109 1.00 0.00 C ATOM 221 O TYR A 15 75.489 -1.866 29.739 1.00 0.00 O ATOM 222 CB TYR A 15 77.996 -0.468 28.499 1.00 0.00 C ATOM 223 CG TYR A 15 78.518 0.488 27.452 1.00 0.00 C ATOM 224 CD1 TYR A 15 78.050 0.410 26.133 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.465 1.457 27.800 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.531 1.300 25.165 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.946 2.348 26.832 1.00 0.00 C ATOM 228 CZ TYR A 15 79.480 2.269 25.514 1.00 0.00 C ATOM 229 OH TYR A 15 79.952 3.149 24.562 1.00 0.00 O ATOM 0 H TYR A 15 77.966 1.464 30.165 1.00 0.00 H new ATOM 0 HA TYR A 15 75.985 0.279 28.313 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.744 -0.616 29.277 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.803 -1.443 28.053 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.318 -0.337 25.863 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.826 1.518 28.816 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.170 1.239 24.149 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.677 3.096 27.102 1.00 0.00 H new ATOM 0 HH TYR A 15 80.192 2.655 23.750 1.00 0.00 H new ATOM 239 N HIS A 16 76.355 -0.678 31.377 1.00 0.00 N ATOM 240 CA HIS A 16 75.814 -1.597 32.422 1.00 0.00 C ATOM 241 C HIS A 16 76.318 -3.028 32.192 1.00 0.00 C ATOM 242 O HIS A 16 77.492 -3.263 31.985 1.00 0.00 O ATOM 243 CB HIS A 16 74.280 -1.582 32.394 1.00 0.00 C ATOM 244 CG HIS A 16 73.779 -0.171 32.543 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.444 0.613 31.449 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.535 0.605 33.651 1.00 0.00 C ATOM 247 CE1 HIS A 16 73.019 1.802 31.916 1.00 0.00 C ATOM 248 NE2 HIS A 16 73.055 1.846 33.250 1.00 0.00 N ATOM 0 H HIS A 16 76.891 0.112 31.736 1.00 0.00 H new ATOM 0 HA HIS A 16 76.161 -1.252 33.396 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.921 -2.008 31.457 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.887 -2.204 33.198 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.692 0.298 34.674 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.690 2.618 31.290 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.787 2.627 33.849 1.00 0.00 H new ATOM 257 N SER A 17 75.429 -3.984 32.251 1.00 0.00 N ATOM 258 CA SER A 17 75.821 -5.412 32.066 1.00 0.00 C ATOM 259 C SER A 17 75.926 -5.759 30.582 1.00 0.00 C ATOM 260 O SER A 17 76.355 -6.836 30.218 1.00 0.00 O ATOM 261 CB SER A 17 74.750 -6.294 32.693 1.00 0.00 C ATOM 262 OG SER A 17 73.506 -6.047 32.049 1.00 0.00 O ATOM 0 H SER A 17 74.435 -3.834 32.422 1.00 0.00 H new ATOM 0 HA SER A 17 76.791 -5.575 32.537 1.00 0.00 H new ATOM 0 HB2 SER A 17 75.023 -7.345 32.593 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.669 -6.086 33.760 1.00 0.00 H new ATOM 0 HG SER A 17 72.813 -6.614 32.448 1.00 0.00 H new ATOM 268 N ASN A 18 75.519 -4.876 29.722 1.00 0.00 N ATOM 269 CA ASN A 18 75.579 -5.187 28.265 1.00 0.00 C ATOM 270 C ASN A 18 77.013 -5.023 27.763 1.00 0.00 C ATOM 271 O ASN A 18 77.358 -4.041 27.137 1.00 0.00 O ATOM 272 CB ASN A 18 74.666 -4.228 27.503 1.00 0.00 C ATOM 273 CG ASN A 18 73.209 -4.558 27.822 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.899 -5.655 28.243 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.295 -3.645 27.645 1.00 0.00 N ATOM 0 H ASN A 18 75.148 -3.956 29.958 1.00 0.00 H new ATOM 0 HA ASN A 18 75.252 -6.214 28.102 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.887 -3.198 27.782 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.844 -4.313 26.431 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.320 -3.851 27.860 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.556 -2.724 27.292 1.00 0.00 H new ATOM 282 N TRP A 19 77.848 -5.988 28.031 1.00 0.00 N ATOM 283 CA TRP A 19 79.259 -5.904 27.570 1.00 0.00 C ATOM 284 C TRP A 19 79.303 -6.055 26.047 1.00 0.00 C ATOM 285 O TRP A 19 80.209 -5.578 25.393 1.00 0.00 O ATOM 286 CB TRP A 19 80.077 -7.020 28.228 1.00 0.00 C ATOM 287 CG TRP A 19 79.511 -8.351 27.853 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.530 -9.001 28.523 1.00 0.00 C ATOM 289 CD2 TRP A 19 79.883 -9.210 26.737 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.275 -10.202 27.886 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.084 -10.376 26.780 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.828 -9.090 25.701 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.218 -11.388 25.828 1.00 0.00 C ATOM 294 CZ3 TRP A 19 80.964 -10.105 24.742 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.160 -11.252 24.805 1.00 0.00 C ATOM 0 H TRP A 19 77.612 -6.833 28.551 1.00 0.00 H new ATOM 0 HA TRP A 19 79.681 -4.939 27.849 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.118 -6.955 27.912 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.065 -6.902 29.311 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.029 -8.641 29.409 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.575 -10.877 28.195 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.453 -8.211 25.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.598 -12.270 25.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.692 -10.002 23.951 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.269 -12.030 24.063 1.00 0.00 H new ATOM 306 N ARG A 20 78.333 -6.718 25.475 1.00 0.00 N ATOM 307 CA ARG A 20 78.323 -6.898 23.994 1.00 0.00 C ATOM 308 C ARG A 20 78.255 -5.533 23.303 1.00 0.00 C ATOM 309 O ARG A 20 78.906 -5.299 22.304 1.00 0.00 O ATOM 310 CB ARG A 20 77.109 -7.737 23.586 1.00 0.00 C ATOM 311 CG ARG A 20 77.298 -9.183 24.055 1.00 0.00 C ATOM 312 CD ARG A 20 76.082 -10.022 23.647 1.00 0.00 C ATOM 313 NE ARG A 20 76.249 -11.419 24.143 1.00 0.00 N ATOM 314 CZ ARG A 20 75.221 -12.224 24.192 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.042 -11.805 23.818 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.371 -13.448 24.619 1.00 0.00 N ATOM 0 H ARG A 20 77.548 -7.142 25.969 1.00 0.00 H new ATOM 0 HA ARG A 20 79.237 -7.409 23.691 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.202 -7.319 24.023 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.983 -7.709 22.504 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.204 -9.602 23.617 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.424 -9.211 25.137 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.172 -9.586 24.058 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.974 -10.021 22.562 1.00 0.00 H new ATOM 0 HE ARG A 20 77.167 -11.746 24.444 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.922 -10.848 23.487 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.241 -12.435 23.857 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.291 -13.776 24.914 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.569 -14.077 24.657 1.00 0.00 H new ATOM 330 N ALA A 21 77.472 -4.630 23.826 1.00 0.00 N ATOM 331 CA ALA A 21 77.367 -3.282 23.194 1.00 0.00 C ATOM 332 C ALA A 21 78.697 -2.544 23.343 1.00 0.00 C ATOM 333 O ALA A 21 79.186 -1.930 22.416 1.00 0.00 O ATOM 334 CB ALA A 21 76.262 -2.479 23.885 1.00 0.00 C ATOM 0 H ALA A 21 76.902 -4.765 24.661 1.00 0.00 H new ATOM 0 HA ALA A 21 77.129 -3.395 22.136 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.185 -1.494 23.424 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.312 -3.003 23.782 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.501 -2.367 24.943 1.00 0.00 H new ATOM 340 N MET A 22 79.288 -2.599 24.505 1.00 0.00 N ATOM 341 CA MET A 22 80.585 -1.904 24.717 1.00 0.00 C ATOM 342 C MET A 22 81.643 -2.511 23.791 1.00 0.00 C ATOM 343 O MET A 22 82.438 -1.810 23.197 1.00 0.00 O ATOM 344 CB MET A 22 81.005 -2.063 26.179 1.00 0.00 C ATOM 345 CG MET A 22 82.310 -1.309 26.435 1.00 0.00 C ATOM 346 SD MET A 22 82.624 -1.243 28.217 1.00 0.00 S ATOM 347 CE MET A 22 82.684 -3.026 28.514 1.00 0.00 C ATOM 0 H MET A 22 78.926 -3.097 25.318 1.00 0.00 H new ATOM 0 HA MET A 22 80.483 -0.843 24.488 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.221 -1.682 26.834 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.134 -3.119 26.416 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.136 -1.806 25.927 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.246 -0.300 26.028 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.253 -3.225 29.422 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.670 -3.410 28.629 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.165 -3.520 27.670 1.00 0.00 H new ATOM 357 N ALA A 23 81.651 -3.809 23.652 1.00 0.00 N ATOM 358 CA ALA A 23 82.648 -4.453 22.752 1.00 0.00 C ATOM 359 C ALA A 23 82.457 -3.921 21.328 1.00 0.00 C ATOM 360 O ALA A 23 83.407 -3.661 20.617 1.00 0.00 O ATOM 361 CB ALA A 23 82.442 -5.969 22.769 1.00 0.00 C ATOM 0 H ALA A 23 81.011 -4.450 24.122 1.00 0.00 H new ATOM 0 HA ALA A 23 83.657 -4.223 23.093 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.171 -6.443 22.111 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.573 -6.343 23.784 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.435 -6.203 22.424 1.00 0.00 H new ATOM 367 N SER A 24 81.229 -3.758 20.911 1.00 0.00 N ATOM 368 CA SER A 24 80.958 -3.240 19.536 1.00 0.00 C ATOM 369 C SER A 24 81.453 -1.798 19.420 1.00 0.00 C ATOM 370 O SER A 24 81.976 -1.388 18.402 1.00 0.00 O ATOM 371 CB SER A 24 79.454 -3.287 19.258 1.00 0.00 C ATOM 372 OG SER A 24 79.028 -4.643 19.201 1.00 0.00 O ATOM 0 H SER A 24 80.398 -3.962 21.466 1.00 0.00 H new ATOM 0 HA SER A 24 81.482 -3.861 18.809 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.911 -2.756 20.040 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.231 -2.784 18.317 1.00 0.00 H new ATOM 0 HG SER A 24 78.943 -4.998 20.111 1.00 0.00 H new ATOM 378 N ASP A 25 81.274 -1.020 20.452 1.00 0.00 N ATOM 379 CA ASP A 25 81.714 0.404 20.402 1.00 0.00 C ATOM 380 C ASP A 25 83.239 0.472 20.370 1.00 0.00 C ATOM 381 O ASP A 25 83.822 1.200 19.590 1.00 0.00 O ATOM 382 CB ASP A 25 81.212 1.121 21.653 1.00 0.00 C ATOM 383 CG ASP A 25 81.397 2.630 21.492 1.00 0.00 C ATOM 384 OD1 ASP A 25 82.079 3.028 20.563 1.00 0.00 O ATOM 385 OD2 ASP A 25 80.853 3.362 22.302 1.00 0.00 O ATOM 0 H ASP A 25 80.841 -1.309 21.329 1.00 0.00 H new ATOM 0 HA ASP A 25 81.311 0.878 19.507 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.160 0.890 21.819 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.757 0.770 22.529 1.00 0.00 H new ATOM 390 N PHE A 26 83.890 -0.283 21.208 1.00 0.00 N ATOM 391 CA PHE A 26 85.386 -0.268 21.226 1.00 0.00 C ATOM 392 C PHE A 26 85.913 -1.373 20.302 1.00 0.00 C ATOM 393 O PHE A 26 87.104 -1.536 20.128 1.00 0.00 O ATOM 394 CB PHE A 26 85.888 -0.504 22.653 1.00 0.00 C ATOM 395 CG PHE A 26 85.580 0.705 23.513 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.366 0.780 24.209 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.509 1.749 23.619 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.082 1.895 25.006 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.223 2.863 24.417 1.00 0.00 C ATOM 400 CZ PHE A 26 85.011 2.937 25.110 1.00 0.00 C ATOM 0 H PHE A 26 83.455 -0.912 21.883 1.00 0.00 H new ATOM 0 HA PHE A 26 85.746 0.700 20.878 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.413 -1.391 23.073 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.962 -0.691 22.644 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.649 -0.024 24.130 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.446 1.694 23.085 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.146 1.951 25.541 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.940 3.667 24.497 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.792 3.797 25.725 1.00 0.00 H new ATOM 410 N ASN A 27 85.029 -2.121 19.695 1.00 0.00 N ATOM 411 CA ASN A 27 85.463 -3.202 18.762 1.00 0.00 C ATOM 412 C ASN A 27 86.496 -4.110 19.437 1.00 0.00 C ATOM 413 O ASN A 27 87.540 -4.388 18.882 1.00 0.00 O ATOM 414 CB ASN A 27 86.078 -2.566 17.517 1.00 0.00 C ATOM 415 CG ASN A 27 85.006 -1.759 16.783 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.541 -0.670 17.331 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 84.581 -2.129 15.707 1.00 0.00 N flip ATOM 0 H ASN A 27 84.019 -2.029 19.806 1.00 0.00 H new ATOM 0 HA ASN A 27 84.598 -3.805 18.486 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.909 -1.919 17.797 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.482 -3.338 16.862 1.00 0.00 H new ATOM 0 HD21 ASN A 27 84.946 -2.981 15.280 1.00 0.00 H new ATOM 0 HD22 ASN A 27 83.859 -1.588 15.230 1.00 0.00 H new ATOM 424 N LEU A 28 86.208 -4.576 20.627 1.00 0.00 N ATOM 425 CA LEU A 28 87.166 -5.475 21.355 1.00 0.00 C ATOM 426 C LEU A 28 86.542 -6.872 21.506 1.00 0.00 C ATOM 427 O LEU A 28 85.337 -7.012 21.536 1.00 0.00 O ATOM 428 CB LEU A 28 87.425 -4.888 22.748 1.00 0.00 C ATOM 429 CG LEU A 28 88.456 -3.745 22.659 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.328 -2.836 23.886 1.00 0.00 C ATOM 431 CD2 LEU A 28 89.887 -4.317 22.609 1.00 0.00 C ATOM 0 H LEU A 28 85.345 -4.373 21.131 1.00 0.00 H new ATOM 0 HA LEU A 28 88.100 -5.553 20.798 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.493 -4.515 23.173 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.791 -5.667 23.417 1.00 0.00 H new ATOM 0 HG LEU A 28 88.263 -3.174 21.751 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.058 -2.030 23.819 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.324 -2.414 23.923 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.511 -3.417 24.790 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.604 -3.498 22.546 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.078 -4.899 23.511 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.992 -4.959 21.734 1.00 0.00 H new ATOM 443 N PRO A 29 87.351 -7.905 21.615 1.00 0.00 N ATOM 444 CA PRO A 29 86.845 -9.298 21.781 1.00 0.00 C ATOM 445 C PRO A 29 86.401 -9.565 23.233 1.00 0.00 C ATOM 446 O PRO A 29 86.922 -8.968 24.154 1.00 0.00 O ATOM 447 CB PRO A 29 88.058 -10.156 21.412 1.00 0.00 C ATOM 448 CG PRO A 29 89.230 -9.335 21.841 1.00 0.00 C ATOM 449 CD PRO A 29 88.831 -7.874 21.590 1.00 0.00 C ATOM 0 HA PRO A 29 85.968 -9.506 21.168 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.036 -11.118 21.924 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.088 -10.365 20.343 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.461 -9.502 22.893 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.122 -9.600 21.273 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.231 -7.212 22.358 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.208 -7.515 20.632 1.00 0.00 H new ATOM 457 N PRO A 30 85.453 -10.446 23.441 1.00 0.00 N ATOM 458 CA PRO A 30 84.953 -10.772 24.806 1.00 0.00 C ATOM 459 C PRO A 30 86.063 -10.802 25.870 1.00 0.00 C ATOM 460 O PRO A 30 85.801 -10.666 27.048 1.00 0.00 O ATOM 461 CB PRO A 30 84.338 -12.165 24.629 1.00 0.00 C ATOM 462 CG PRO A 30 83.860 -12.204 23.206 1.00 0.00 C ATOM 463 CD PRO A 30 84.750 -11.233 22.408 1.00 0.00 C ATOM 0 HA PRO A 30 84.255 -10.017 25.168 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.073 -12.947 24.820 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.515 -12.324 25.326 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.932 -13.214 22.802 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.813 -11.909 23.142 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.453 -11.770 21.771 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.155 -10.593 21.757 1.00 0.00 H new ATOM 471 N VAL A 31 87.294 -10.997 25.475 1.00 0.00 N ATOM 472 CA VAL A 31 88.389 -11.049 26.488 1.00 0.00 C ATOM 473 C VAL A 31 88.447 -9.735 27.267 1.00 0.00 C ATOM 474 O VAL A 31 88.295 -9.706 28.473 1.00 0.00 O ATOM 475 CB VAL A 31 89.741 -11.283 25.794 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.892 -11.119 26.803 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.777 -12.702 25.222 1.00 0.00 C ATOM 0 H VAL A 31 87.586 -11.121 24.506 1.00 0.00 H new ATOM 0 HA VAL A 31 88.186 -11.871 27.175 1.00 0.00 H new ATOM 0 HB VAL A 31 89.859 -10.553 24.993 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.844 -11.287 26.299 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.873 -10.110 27.216 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.775 -11.843 27.609 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.734 -12.871 24.729 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.652 -13.423 26.030 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.970 -12.823 24.499 1.00 0.00 H new ATOM 487 N VAL A 32 88.695 -8.652 26.587 1.00 0.00 N ATOM 488 CA VAL A 32 88.796 -7.341 27.286 1.00 0.00 C ATOM 489 C VAL A 32 87.421 -6.892 27.796 1.00 0.00 C ATOM 490 O VAL A 32 87.305 -6.358 28.879 1.00 0.00 O ATOM 491 CB VAL A 32 89.367 -6.293 26.324 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.249 -4.892 26.942 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.841 -6.608 26.051 1.00 0.00 C ATOM 0 H VAL A 32 88.832 -8.617 25.577 1.00 0.00 H new ATOM 0 HA VAL A 32 89.460 -7.449 28.144 1.00 0.00 H new ATOM 0 HB VAL A 32 88.805 -6.318 25.390 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.657 -4.154 26.251 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.200 -4.667 27.135 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.806 -4.859 27.879 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.251 -5.865 25.367 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.398 -6.585 26.988 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.925 -7.598 25.603 1.00 0.00 H new ATOM 503 N ALA A 33 86.379 -7.087 27.034 1.00 0.00 N ATOM 504 CA ALA A 33 85.039 -6.642 27.511 1.00 0.00 C ATOM 505 C ALA A 33 84.702 -7.362 28.816 1.00 0.00 C ATOM 506 O ALA A 33 84.317 -6.753 29.794 1.00 0.00 O ATOM 507 CB ALA A 33 83.980 -6.958 26.452 1.00 0.00 C ATOM 0 H ALA A 33 86.396 -7.529 26.115 1.00 0.00 H new ATOM 0 HA ALA A 33 85.054 -5.566 27.685 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.002 -6.631 26.806 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.224 -6.437 25.526 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.958 -8.032 26.268 1.00 0.00 H new ATOM 513 N LYS A 34 84.859 -8.654 28.841 1.00 0.00 N ATOM 514 CA LYS A 34 84.564 -9.422 30.083 1.00 0.00 C ATOM 515 C LYS A 34 85.476 -8.926 31.210 1.00 0.00 C ATOM 516 O LYS A 34 85.069 -8.807 32.349 1.00 0.00 O ATOM 517 CB LYS A 34 84.830 -10.910 29.831 1.00 0.00 C ATOM 518 CG LYS A 34 83.777 -11.490 28.870 1.00 0.00 C ATOM 519 CD LYS A 34 82.473 -11.807 29.617 1.00 0.00 C ATOM 520 CE LYS A 34 81.515 -12.536 28.669 1.00 0.00 C ATOM 521 NZ LYS A 34 82.189 -13.739 28.104 1.00 0.00 N ATOM 0 H LYS A 34 85.180 -9.215 28.052 1.00 0.00 H new ATOM 0 HA LYS A 34 83.521 -9.280 30.366 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.827 -11.041 29.410 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.809 -11.454 30.775 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.579 -10.779 28.068 1.00 0.00 H new ATOM 0 HG3 LYS A 34 84.164 -12.396 28.403 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.681 -12.426 30.490 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.015 -10.887 29.980 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.612 -12.830 29.204 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.206 -11.869 27.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.472 -14.433 27.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.761 -13.462 27.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.805 -14.163 28.827 1.00 0.00 H new ATOM 535 N GLU A 35 86.714 -8.654 30.898 1.00 0.00 N ATOM 536 CA GLU A 35 87.671 -8.184 31.941 1.00 0.00 C ATOM 537 C GLU A 35 87.174 -6.879 32.564 1.00 0.00 C ATOM 538 O GLU A 35 87.241 -6.693 33.763 1.00 0.00 O ATOM 539 CB GLU A 35 89.041 -7.950 31.299 1.00 0.00 C ATOM 540 CG GLU A 35 90.070 -7.581 32.376 1.00 0.00 C ATOM 541 CD GLU A 35 89.927 -6.105 32.767 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.458 -5.333 31.947 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.299 -5.770 33.881 1.00 0.00 O ATOM 0 H GLU A 35 87.106 -8.738 29.960 1.00 0.00 H new ATOM 0 HA GLU A 35 87.750 -8.942 32.721 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.362 -8.848 30.770 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.974 -7.152 30.560 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.930 -8.212 33.254 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.078 -7.770 32.006 1.00 0.00 H new ATOM 550 N ILE A 36 86.674 -5.972 31.772 1.00 0.00 N ATOM 551 CA ILE A 36 86.178 -4.694 32.351 1.00 0.00 C ATOM 552 C ILE A 36 85.024 -5.016 33.301 1.00 0.00 C ATOM 553 O ILE A 36 84.921 -4.465 34.380 1.00 0.00 O ATOM 554 CB ILE A 36 85.712 -3.772 31.223 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.909 -3.432 30.329 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.146 -2.478 31.814 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.422 -2.723 29.063 1.00 0.00 C ATOM 0 H ILE A 36 86.588 -6.059 30.759 1.00 0.00 H new ATOM 0 HA ILE A 36 86.969 -4.185 32.902 1.00 0.00 H new ATOM 0 HB ILE A 36 84.939 -4.273 30.640 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.609 -2.794 30.869 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.447 -4.342 30.064 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.815 -1.824 31.007 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.301 -2.713 32.461 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.919 -1.975 32.395 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.276 -2.483 28.429 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.739 -3.377 28.520 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.903 -1.804 29.337 1.00 0.00 H new ATOM 569 N VAL A 37 84.178 -5.936 32.923 1.00 0.00 N ATOM 570 CA VAL A 37 83.057 -6.335 33.818 1.00 0.00 C ATOM 571 C VAL A 37 83.650 -7.031 35.044 1.00 0.00 C ATOM 572 O VAL A 37 83.211 -6.837 36.159 1.00 0.00 O ATOM 573 CB VAL A 37 82.127 -7.302 33.075 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.119 -7.915 34.055 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.370 -6.539 31.985 1.00 0.00 C ATOM 0 H VAL A 37 84.216 -6.429 32.031 1.00 0.00 H new ATOM 0 HA VAL A 37 82.484 -5.459 34.122 1.00 0.00 H new ATOM 0 HB VAL A 37 82.722 -8.098 32.626 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.462 -8.601 33.520 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.653 -8.458 34.834 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.524 -7.122 34.508 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.708 -7.223 31.455 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.780 -5.743 32.440 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.082 -6.106 31.283 1.00 0.00 H new ATOM 585 N ALA A 38 84.653 -7.840 34.833 1.00 0.00 N ATOM 586 CA ALA A 38 85.295 -8.561 35.967 1.00 0.00 C ATOM 587 C ALA A 38 85.832 -7.550 36.980 1.00 0.00 C ATOM 588 O ALA A 38 86.110 -7.884 38.116 1.00 0.00 O ATOM 589 CB ALA A 38 86.452 -9.411 35.436 1.00 0.00 C ATOM 0 H ALA A 38 85.057 -8.033 33.917 1.00 0.00 H new ATOM 0 HA ALA A 38 84.560 -9.203 36.452 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.924 -9.940 36.264 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.071 -10.133 34.714 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.185 -8.766 34.952 1.00 0.00 H new ATOM 595 N SER A 39 85.986 -6.317 36.579 1.00 0.00 N ATOM 596 CA SER A 39 86.512 -5.284 37.519 1.00 0.00 C ATOM 597 C SER A 39 85.337 -4.600 38.215 1.00 0.00 C ATOM 598 O SER A 39 85.334 -4.419 39.417 1.00 0.00 O ATOM 599 CB SER A 39 87.309 -4.248 36.727 1.00 0.00 C ATOM 600 OG SER A 39 88.486 -4.858 36.210 1.00 0.00 O ATOM 0 H SER A 39 85.770 -5.980 35.641 1.00 0.00 H new ATOM 0 HA SER A 39 87.157 -5.750 38.263 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.703 -3.851 35.913 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.573 -3.407 37.368 1.00 0.00 H new ATOM 0 HG SER A 39 88.247 -5.456 35.471 1.00 0.00 H new ATOM 606 N CYS A 40 84.331 -4.235 37.474 1.00 0.00 N ATOM 607 CA CYS A 40 83.147 -3.581 38.095 1.00 0.00 C ATOM 608 C CYS A 40 82.538 -4.539 39.121 1.00 0.00 C ATOM 609 O CYS A 40 82.305 -5.697 38.837 1.00 0.00 O ATOM 610 CB CYS A 40 82.120 -3.263 37.008 1.00 0.00 C ATOM 611 SG CYS A 40 80.899 -2.089 37.648 1.00 0.00 S ATOM 0 H CYS A 40 84.277 -4.361 36.463 1.00 0.00 H new ATOM 0 HA CYS A 40 83.443 -2.656 38.589 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.619 -2.844 36.134 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.624 -4.178 36.684 1.00 0.00 H new ATOM 616 N ASP A 41 82.289 -4.077 40.314 1.00 0.00 N ATOM 617 CA ASP A 41 81.708 -4.977 41.352 1.00 0.00 C ATOM 618 C ASP A 41 80.199 -5.122 41.135 1.00 0.00 C ATOM 619 O ASP A 41 79.604 -6.113 41.512 1.00 0.00 O ATOM 620 CB ASP A 41 81.964 -4.380 42.737 1.00 0.00 C ATOM 621 CG ASP A 41 83.455 -4.469 43.064 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.118 -5.318 42.492 1.00 0.00 O ATOM 623 OD2 ASP A 41 83.910 -3.682 43.878 1.00 0.00 O ATOM 0 H ASP A 41 82.462 -3.118 40.616 1.00 0.00 H new ATOM 0 HA ASP A 41 82.176 -5.959 41.278 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.637 -3.341 42.763 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.384 -4.916 43.488 1.00 0.00 H new ATOM 628 N LYS A 42 79.567 -4.140 40.549 1.00 0.00 N ATOM 629 CA LYS A 42 78.093 -4.228 40.334 1.00 0.00 C ATOM 630 C LYS A 42 77.772 -5.208 39.201 1.00 0.00 C ATOM 631 O LYS A 42 76.877 -6.022 39.312 1.00 0.00 O ATOM 632 CB LYS A 42 77.550 -2.846 39.963 1.00 0.00 C ATOM 633 CG LYS A 42 77.729 -1.889 41.143 1.00 0.00 C ATOM 634 CD LYS A 42 77.185 -0.509 40.768 1.00 0.00 C ATOM 635 CE LYS A 42 77.366 0.444 41.951 1.00 0.00 C ATOM 636 NZ LYS A 42 76.637 -0.093 43.135 1.00 0.00 N ATOM 0 H LYS A 42 80.006 -3.284 40.211 1.00 0.00 H new ATOM 0 HA LYS A 42 77.628 -4.582 41.254 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.074 -2.462 39.088 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.495 -2.918 39.697 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.205 -2.272 42.019 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.784 -1.816 41.409 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.709 -0.124 39.893 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.130 -0.581 40.502 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.425 0.557 42.183 1.00 0.00 H new ATOM 0 HE3 LYS A 42 76.988 1.434 41.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.174 0.689 43.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 75.918 -0.776 42.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.309 -0.567 43.771 1.00 0.00 H new ATOM 650 N CYS A 43 78.479 -5.127 38.107 1.00 0.00 N ATOM 651 CA CYS A 43 78.189 -6.047 36.966 1.00 0.00 C ATOM 652 C CYS A 43 78.815 -7.427 37.207 1.00 0.00 C ATOM 653 O CYS A 43 78.315 -8.429 36.735 1.00 0.00 O ATOM 654 CB CYS A 43 78.751 -5.449 35.674 1.00 0.00 C ATOM 655 SG CYS A 43 77.920 -3.879 35.321 1.00 0.00 S ATOM 0 H CYS A 43 79.242 -4.468 37.952 1.00 0.00 H new ATOM 0 HA CYS A 43 77.109 -6.166 36.881 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.825 -5.290 35.772 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.606 -6.143 34.846 1.00 0.00 H new ATOM 660 N GLN A 44 79.910 -7.493 37.916 1.00 0.00 N ATOM 661 CA GLN A 44 80.561 -8.819 38.151 1.00 0.00 C ATOM 662 C GLN A 44 79.733 -9.677 39.115 1.00 0.00 C ATOM 663 O GLN A 44 79.380 -10.798 38.811 1.00 0.00 O ATOM 664 CB GLN A 44 81.959 -8.614 38.743 1.00 0.00 C ATOM 665 CG GLN A 44 82.669 -9.970 38.851 1.00 0.00 C ATOM 666 CD GLN A 44 84.064 -9.781 39.445 1.00 0.00 C ATOM 667 OE1 GLN A 44 85.030 -10.316 38.938 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.211 -9.041 40.510 1.00 0.00 N ATOM 0 H GLN A 44 80.381 -6.694 38.341 1.00 0.00 H new ATOM 0 HA GLN A 44 80.631 -9.334 37.193 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.537 -7.937 38.114 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.885 -8.150 39.727 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.087 -10.646 39.477 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.743 -10.431 37.866 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.400 -8.592 40.935 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.137 -8.911 40.917 1.00 0.00 H new ATOM 677 N LEU A 45 79.452 -9.175 40.286 1.00 0.00 N ATOM 678 CA LEU A 45 78.682 -9.985 41.279 1.00 0.00 C ATOM 679 C LEU A 45 77.185 -9.932 40.959 1.00 0.00 C ATOM 680 O LEU A 45 76.694 -8.984 40.378 1.00 0.00 O ATOM 681 CB LEU A 45 78.918 -9.423 42.685 1.00 0.00 C ATOM 682 CG LEU A 45 80.413 -9.481 43.033 1.00 0.00 C ATOM 683 CD1 LEU A 45 80.631 -8.832 44.404 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.898 -10.943 43.070 1.00 0.00 C ATOM 0 H LEU A 45 79.720 -8.242 40.600 1.00 0.00 H new ATOM 0 HA LEU A 45 79.020 -11.020 41.230 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.564 -8.393 42.738 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.344 -9.995 43.415 1.00 0.00 H new ATOM 0 HG LEU A 45 80.980 -8.945 42.272 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.690 -8.869 44.660 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.301 -7.794 44.372 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.057 -9.372 45.157 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.959 -10.968 43.318 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.336 -11.494 43.824 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.742 -11.403 42.094 1.00 0.00 H new ATOM 696 N LYS A 46 76.458 -10.953 41.334 1.00 0.00 N ATOM 697 CA LYS A 46 74.994 -10.976 41.053 1.00 0.00 C ATOM 698 C LYS A 46 74.248 -10.123 42.086 1.00 0.00 C ATOM 699 O LYS A 46 74.720 -9.904 43.185 1.00 0.00 O ATOM 700 CB LYS A 46 74.480 -12.417 41.115 1.00 0.00 C ATOM 701 CG LYS A 46 75.061 -13.211 39.942 1.00 0.00 C ATOM 702 CD LYS A 46 74.552 -14.654 39.993 1.00 0.00 C ATOM 703 CE LYS A 46 75.129 -15.440 38.814 1.00 0.00 C ATOM 704 NZ LYS A 46 76.606 -15.561 38.964 1.00 0.00 N ATOM 0 H LYS A 46 76.817 -11.773 41.824 1.00 0.00 H new ATOM 0 HA LYS A 46 74.818 -10.569 40.057 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.768 -12.878 42.060 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.391 -12.429 41.074 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.774 -12.747 38.998 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.150 -13.198 39.985 1.00 0.00 H new ATOM 0 HD2 LYS A 46 74.845 -15.121 40.933 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.463 -14.668 39.955 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.676 -16.431 38.769 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.889 -14.937 37.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 76.953 -16.340 38.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 77.059 -14.672 38.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 76.839 -15.755 39.959 1.00 0.00 H new ATOM 718 N GLY A 47 73.084 -9.641 41.739 1.00 0.00 N ATOM 719 CA GLY A 47 72.303 -8.802 42.695 1.00 0.00 C ATOM 720 C GLY A 47 72.162 -9.528 44.034 1.00 0.00 C ATOM 721 O GLY A 47 72.982 -9.384 44.919 1.00 0.00 O ATOM 0 H GLY A 47 72.640 -9.792 40.833 1.00 0.00 H new ATOM 0 HA2 GLY A 47 72.802 -7.844 42.842 1.00 0.00 H new ATOM 0 HA3 GLY A 47 71.317 -8.588 42.282 1.00 0.00 H new ATOM 725 N GLU A 48 71.126 -10.308 44.196 1.00 0.00 N ATOM 726 CA GLU A 48 70.934 -11.037 45.484 1.00 0.00 C ATOM 727 C GLU A 48 71.756 -12.329 45.460 1.00 0.00 C ATOM 728 O GLU A 48 71.467 -13.247 44.719 1.00 0.00 O ATOM 729 CB GLU A 48 69.442 -11.370 45.657 1.00 0.00 C ATOM 730 CG GLU A 48 69.112 -11.607 47.138 1.00 0.00 C ATOM 731 CD GLU A 48 69.749 -12.916 47.612 1.00 0.00 C ATOM 732 OE1 GLU A 48 70.016 -13.761 46.774 1.00 0.00 O ATOM 733 OE2 GLU A 48 69.952 -13.053 48.807 1.00 0.00 O ATOM 0 H GLU A 48 70.405 -10.472 43.493 1.00 0.00 H new ATOM 0 HA GLU A 48 71.265 -10.416 46.317 1.00 0.00 H new ATOM 0 HB2 GLU A 48 68.834 -10.553 45.269 1.00 0.00 H new ATOM 0 HB3 GLU A 48 69.192 -12.258 45.076 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.480 -10.775 47.739 1.00 0.00 H new ATOM 0 HG3 GLU A 48 68.032 -11.647 47.277 1.00 0.00 H new ATOM 740 N ALA A 49 72.780 -12.405 46.265 1.00 0.00 N ATOM 741 CA ALA A 49 73.622 -13.635 46.292 1.00 0.00 C ATOM 742 C ALA A 49 72.913 -14.727 47.100 1.00 0.00 C ATOM 743 O ALA A 49 71.902 -15.262 46.688 1.00 0.00 O ATOM 744 CB ALA A 49 74.971 -13.310 46.939 1.00 0.00 C ATOM 0 H ALA A 49 73.071 -11.667 46.906 1.00 0.00 H new ATOM 0 HA ALA A 49 73.782 -13.990 45.274 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.590 -14.207 46.961 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.475 -12.536 46.361 1.00 0.00 H new ATOM 0 HB3 ALA A 49 74.810 -12.956 47.957 1.00 0.00 H new ATOM 750 N MET A 50 73.437 -15.049 48.253 1.00 0.00 N ATOM 751 CA MET A 50 72.813 -16.097 49.112 1.00 0.00 C ATOM 752 C MET A 50 72.678 -17.408 48.332 1.00 0.00 C ATOM 753 O MET A 50 72.667 -17.427 47.118 1.00 0.00 O ATOM 754 CB MET A 50 71.432 -15.619 49.565 1.00 0.00 C ATOM 755 CG MET A 50 70.954 -16.470 50.743 1.00 0.00 C ATOM 756 SD MET A 50 69.387 -15.806 51.366 1.00 0.00 S ATOM 757 CE MET A 50 69.028 -17.142 52.533 1.00 0.00 C ATOM 0 H MET A 50 74.280 -14.625 48.640 1.00 0.00 H new ATOM 0 HA MET A 50 73.445 -16.272 49.983 1.00 0.00 H new ATOM 0 HB2 MET A 50 71.477 -14.570 49.856 1.00 0.00 H new ATOM 0 HB3 MET A 50 70.723 -15.691 48.740 1.00 0.00 H new ATOM 0 HG2 MET A 50 70.824 -17.506 50.429 1.00 0.00 H new ATOM 0 HG3 MET A 50 71.703 -16.469 51.535 1.00 0.00 H new ATOM 0 HE1 MET A 50 68.086 -16.937 53.042 1.00 0.00 H new ATOM 0 HE2 MET A 50 68.952 -18.086 51.993 1.00 0.00 H new ATOM 0 HE3 MET A 50 69.830 -17.208 53.268 1.00 0.00 H new ATOM 767 N HIS A 51 72.580 -18.508 49.027 1.00 0.00 N ATOM 768 CA HIS A 51 72.454 -19.824 48.340 1.00 0.00 C ATOM 769 C HIS A 51 70.988 -20.083 47.991 1.00 0.00 C ATOM 770 O HIS A 51 70.089 -19.519 48.582 1.00 0.00 O ATOM 771 CB HIS A 51 72.957 -20.932 49.270 1.00 0.00 C ATOM 772 CG HIS A 51 74.440 -20.780 49.492 1.00 0.00 C ATOM 773 ND1 HIS A 51 75.054 -21.181 50.672 1.00 0.00 N ATOM 774 CD2 HIS A 51 75.447 -20.279 48.700 1.00 0.00 C ATOM 775 CE1 HIS A 51 76.368 -20.917 50.556 1.00 0.00 C ATOM 776 NE2 HIS A 51 76.657 -20.368 49.376 1.00 0.00 N ATOM 0 H HIS A 51 72.582 -18.552 50.046 1.00 0.00 H new ATOM 0 HA HIS A 51 73.048 -19.814 47.426 1.00 0.00 H new ATOM 0 HB2 HIS A 51 72.431 -20.885 50.223 1.00 0.00 H new ATOM 0 HB3 HIS A 51 72.744 -21.909 48.835 1.00 0.00 H new ATOM 0 HD2 HIS A 51 75.317 -19.878 47.706 1.00 0.00 H new ATOM 0 HE1 HIS A 51 77.099 -21.124 51.324 1.00 0.00 H new ATOM 0 HE2 HIS A 51 77.574 -20.075 49.040 1.00 0.00 H new ATOM 785 N GLY A 52 70.744 -20.943 47.034 1.00 0.00 N ATOM 786 CA GLY A 52 69.340 -21.262 46.632 1.00 0.00 C ATOM 787 C GLY A 52 68.985 -20.526 45.339 1.00 0.00 C ATOM 788 O GLY A 52 68.149 -19.644 45.327 1.00 0.00 O ATOM 0 H GLY A 52 71.463 -21.442 46.510 1.00 0.00 H new ATOM 0 HA2 GLY A 52 69.229 -22.337 46.490 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.651 -20.972 47.426 1.00 0.00 H new ATOM 792 N GLN A 53 69.596 -20.891 44.241 1.00 0.00 N ATOM 793 CA GLN A 53 69.263 -20.214 42.954 1.00 0.00 C ATOM 794 C GLN A 53 67.961 -20.810 42.416 1.00 0.00 C ATOM 795 O GLN A 53 67.614 -21.933 42.718 1.00 0.00 O ATOM 796 CB GLN A 53 70.383 -20.434 41.929 1.00 0.00 C ATOM 797 CG GLN A 53 71.629 -19.649 42.344 1.00 0.00 C ATOM 798 CD GLN A 53 72.735 -19.856 41.302 1.00 0.00 C ATOM 799 OE1 GLN A 53 72.653 -20.858 40.468 1.00 0.00 O flip ATOM 800 NE2 GLN A 53 73.683 -19.098 41.247 1.00 0.00 N flip ATOM 0 H GLN A 53 70.305 -21.622 44.181 1.00 0.00 H new ATOM 0 HA GLN A 53 69.152 -19.143 43.125 1.00 0.00 H new ATOM 0 HB2 GLN A 53 70.619 -21.496 41.857 1.00 0.00 H new ATOM 0 HB3 GLN A 53 70.052 -20.113 40.941 1.00 0.00 H new ATOM 0 HG2 GLN A 53 71.391 -18.589 42.432 1.00 0.00 H new ATOM 0 HG3 GLN A 53 71.971 -19.981 43.324 1.00 0.00 H new ATOM 0 HE21 GLN A 53 73.748 -18.315 41.898 1.00 0.00 H new ATOM 0 HE22 GLN A 53 74.413 -19.245 40.550 1.00 0.00 H new ATOM 809 N VAL A 54 67.232 -20.069 41.623 1.00 0.00 N ATOM 810 CA VAL A 54 65.947 -20.597 41.069 1.00 0.00 C ATOM 811 C VAL A 54 66.197 -21.173 39.675 1.00 0.00 C ATOM 812 O VAL A 54 66.740 -20.517 38.809 1.00 0.00 O ATOM 813 CB VAL A 54 64.926 -19.459 40.982 1.00 0.00 C ATOM 814 CG1 VAL A 54 65.451 -18.359 40.054 1.00 0.00 C ATOM 815 CG2 VAL A 54 63.605 -20.006 40.436 1.00 0.00 C ATOM 0 H VAL A 54 67.470 -19.120 41.334 1.00 0.00 H new ATOM 0 HA VAL A 54 65.559 -21.380 41.720 1.00 0.00 H new ATOM 0 HB VAL A 54 64.766 -19.040 41.975 1.00 0.00 H new ATOM 0 HG11 VAL A 54 64.720 -17.552 39.996 1.00 0.00 H new ATOM 0 HG12 VAL A 54 66.391 -17.970 40.446 1.00 0.00 H new ATOM 0 HG13 VAL A 54 65.616 -18.771 39.058 1.00 0.00 H new ATOM 0 HG21 VAL A 54 62.875 -19.199 40.373 1.00 0.00 H new ATOM 0 HG22 VAL A 54 63.768 -20.427 39.444 1.00 0.00 H new ATOM 0 HG23 VAL A 54 63.230 -20.783 41.102 1.00 0.00 H new ATOM 825 N ASP A 55 65.812 -22.402 39.452 1.00 0.00 N ATOM 826 CA ASP A 55 66.031 -23.030 38.113 1.00 0.00 C ATOM 827 C ASP A 55 64.931 -24.060 37.845 1.00 0.00 C ATOM 828 O ASP A 55 65.019 -24.739 36.835 1.00 0.00 O ATOM 829 CB ASP A 55 67.394 -23.726 38.093 1.00 0.00 C ATOM 830 CG ASP A 55 68.511 -22.679 38.110 1.00 0.00 C ATOM 831 OD1 ASP A 55 68.336 -21.646 37.486 1.00 0.00 O ATOM 832 OD2 ASP A 55 69.522 -22.930 38.746 1.00 0.00 O ATOM 833 OXT ASP A 55 64.025 -24.155 38.656 1.00 0.00 O ATOM 0 H ASP A 55 65.354 -23.000 40.140 1.00 0.00 H new ATOM 0 HA ASP A 55 66.003 -22.259 37.343 1.00 0.00 H new ATOM 0 HB2 ASP A 55 67.488 -24.386 38.955 1.00 0.00 H new ATOM 0 HB3 ASP A 55 67.481 -24.350 37.203 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 96.016 -11.971 23.709 1.00 0.00 N ATOM 840 CA PHE B 1 95.026 -12.843 23.011 1.00 0.00 C ATOM 841 C PHE B 1 95.739 -14.069 22.449 1.00 0.00 C ATOM 842 O PHE B 1 95.754 -14.302 21.256 1.00 0.00 O ATOM 843 CB PHE B 1 94.400 -12.077 21.853 1.00 0.00 C ATOM 844 CG PHE B 1 93.972 -10.702 22.311 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.801 -10.544 23.058 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.748 -9.583 21.977 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.405 -9.266 23.474 1.00 0.00 C ATOM 848 CE2 PHE B 1 94.351 -8.307 22.392 1.00 0.00 C ATOM 849 CZ PHE B 1 93.180 -8.149 23.140 1.00 0.00 C ATOM 0 H1 PHE B 1 95.881 -10.984 23.410 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.878 -12.043 24.737 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.980 -12.277 23.467 1.00 0.00 H new ATOM 0 HA PHE B 1 94.255 -13.147 23.719 1.00 0.00 H new ATOM 0 HB2 PHE B 1 95.115 -11.990 21.035 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.540 -12.624 21.467 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.202 -11.406 23.314 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.652 -9.706 21.399 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.501 -9.143 24.053 1.00 0.00 H new ATOM 0 HE2 PHE B 1 94.948 -7.445 22.135 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.873 -7.164 23.460 1.00 0.00 H new ATOM 861 N LEU B 2 96.343 -14.845 23.295 1.00 0.00 N ATOM 862 CA LEU B 2 97.078 -16.057 22.820 1.00 0.00 C ATOM 863 C LEU B 2 96.197 -17.297 22.908 1.00 0.00 C ATOM 864 O LEU B 2 95.404 -17.452 23.806 1.00 0.00 O ATOM 865 CB LEU B 2 98.335 -16.264 23.671 1.00 0.00 C ATOM 866 CG LEU B 2 99.257 -15.039 23.561 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.466 -15.240 24.481 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.741 -14.866 22.108 1.00 0.00 C ATOM 0 H LEU B 2 96.363 -14.697 24.304 1.00 0.00 H new ATOM 0 HA LEU B 2 97.357 -15.902 21.778 1.00 0.00 H new ATOM 0 HB2 LEU B 2 98.056 -16.426 24.712 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.864 -17.158 23.340 1.00 0.00 H new ATOM 0 HG LEU B 2 98.706 -14.146 23.857 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.126 -14.375 24.409 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.125 -15.352 25.510 1.00 0.00 H new ATOM 0 HD13 LEU B 2 101.008 -16.136 24.179 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.393 -13.995 22.043 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.291 -15.755 21.799 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.882 -14.725 21.453 1.00 0.00 H new ATOM 880 N ASP B 3 96.351 -18.194 21.976 1.00 0.00 N ATOM 881 CA ASP B 3 95.545 -19.443 22.005 1.00 0.00 C ATOM 882 C ASP B 3 95.855 -20.174 23.307 1.00 0.00 C ATOM 883 O ASP B 3 94.982 -20.716 23.954 1.00 0.00 O ATOM 884 CB ASP B 3 95.920 -20.329 20.813 1.00 0.00 C ATOM 885 CG ASP B 3 95.414 -19.690 19.520 1.00 0.00 C ATOM 886 OD1 ASP B 3 94.470 -18.920 19.592 1.00 0.00 O ATOM 887 OD2 ASP B 3 95.976 -19.983 18.478 1.00 0.00 O ATOM 0 H ASP B 3 97.002 -18.115 21.194 1.00 0.00 H new ATOM 0 HA ASP B 3 94.482 -19.209 21.945 1.00 0.00 H new ATOM 0 HB2 ASP B 3 97.002 -20.457 20.768 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.486 -21.322 20.934 1.00 0.00 H new ATOM 892 N GLY B 4 97.101 -20.175 23.704 1.00 0.00 N ATOM 893 CA GLY B 4 97.481 -20.851 24.976 1.00 0.00 C ATOM 894 C GLY B 4 96.524 -20.408 26.082 1.00 0.00 C ATOM 895 O GLY B 4 96.439 -21.019 27.127 1.00 0.00 O ATOM 0 H GLY B 4 97.871 -19.736 23.200 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.439 -21.933 24.854 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.507 -20.600 25.244 1.00 0.00 H new ATOM 899 N ILE B 5 95.785 -19.357 25.853 1.00 0.00 N ATOM 900 CA ILE B 5 94.821 -18.900 26.886 1.00 0.00 C ATOM 901 C ILE B 5 93.813 -20.022 27.143 1.00 0.00 C ATOM 902 O ILE B 5 93.471 -20.312 28.272 1.00 0.00 O ATOM 903 CB ILE B 5 94.115 -17.627 26.404 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.111 -16.467 26.418 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.941 -17.302 27.332 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.513 -15.266 25.676 1.00 0.00 C ATOM 0 H ILE B 5 95.809 -18.799 24.999 1.00 0.00 H new ATOM 0 HA ILE B 5 95.340 -18.667 27.816 1.00 0.00 H new ATOM 0 HB ILE B 5 93.739 -17.780 25.392 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.349 -16.191 27.445 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.045 -16.771 25.945 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.443 -16.397 26.985 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.233 -18.131 27.327 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.311 -17.147 28.346 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.225 -14.440 25.687 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.298 -15.546 24.645 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.591 -14.957 26.168 1.00 0.00 H new ATOM 918 N ASP B 6 93.363 -20.680 26.110 1.00 0.00 N ATOM 919 CA ASP B 6 92.411 -21.808 26.313 1.00 0.00 C ATOM 920 C ASP B 6 93.100 -22.861 27.179 1.00 0.00 C ATOM 921 O ASP B 6 92.508 -23.450 28.063 1.00 0.00 O ATOM 922 CB ASP B 6 92.030 -22.422 24.961 1.00 0.00 C ATOM 923 CG ASP B 6 91.050 -23.578 25.181 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.915 -24.011 26.314 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.451 -24.013 24.212 1.00 0.00 O ATOM 0 H ASP B 6 93.612 -20.487 25.140 1.00 0.00 H new ATOM 0 HA ASP B 6 91.504 -21.449 26.799 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.577 -21.665 24.321 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.923 -22.781 24.448 1.00 0.00 H new ATOM 930 N LYS B 7 94.360 -23.091 26.932 1.00 0.00 N ATOM 931 CA LYS B 7 95.120 -24.089 27.731 1.00 0.00 C ATOM 932 C LYS B 7 95.180 -23.622 29.185 1.00 0.00 C ATOM 933 O LYS B 7 95.085 -24.409 30.105 1.00 0.00 O ATOM 934 CB LYS B 7 96.539 -24.220 27.164 1.00 0.00 C ATOM 935 CG LYS B 7 97.337 -25.244 27.976 1.00 0.00 C ATOM 936 CD LYS B 7 98.742 -25.365 27.389 1.00 0.00 C ATOM 937 CE LYS B 7 99.588 -26.280 28.275 1.00 0.00 C ATOM 938 NZ LYS B 7 100.828 -26.665 27.545 1.00 0.00 N ATOM 0 H LYS B 7 94.900 -22.624 26.203 1.00 0.00 H new ATOM 0 HA LYS B 7 94.626 -25.060 27.683 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.495 -24.527 26.119 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.040 -23.253 27.191 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.391 -24.935 29.020 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.837 -26.212 27.955 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.691 -25.766 26.377 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.204 -24.380 27.319 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.843 -25.771 29.204 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.020 -27.170 28.545 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 101.405 -27.288 28.146 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 100.574 -27.166 26.670 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 101.372 -25.810 27.309 1.00 0.00 H new ATOM 952 N ALA B 8 95.340 -22.346 29.398 1.00 0.00 N ATOM 953 CA ALA B 8 95.412 -21.826 30.790 1.00 0.00 C ATOM 954 C ALA B 8 94.120 -22.169 31.537 1.00 0.00 C ATOM 955 O ALA B 8 94.138 -22.463 32.716 1.00 0.00 O ATOM 956 CB ALA B 8 95.594 -20.308 30.759 1.00 0.00 C ATOM 0 H ALA B 8 95.424 -21.640 28.666 1.00 0.00 H new ATOM 0 HA ALA B 8 96.258 -22.285 31.302 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.647 -19.927 31.779 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.516 -20.063 30.232 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.749 -19.851 30.244 1.00 0.00 H new ATOM 962 N GLN B 9 92.998 -22.138 30.871 1.00 0.00 N ATOM 963 CA GLN B 9 91.722 -22.466 31.565 1.00 0.00 C ATOM 964 C GLN B 9 91.798 -23.894 32.113 1.00 0.00 C ATOM 965 O GLN B 9 91.416 -24.162 33.234 1.00 0.00 O ATOM 966 CB GLN B 9 90.560 -22.358 30.575 1.00 0.00 C ATOM 967 CG GLN B 9 90.330 -20.888 30.216 1.00 0.00 C ATOM 968 CD GLN B 9 89.176 -20.776 29.217 1.00 0.00 C ATOM 969 OE1 GLN B 9 88.225 -21.529 29.283 1.00 0.00 O ATOM 970 NE2 GLN B 9 89.218 -19.853 28.296 1.00 0.00 N ATOM 0 H GLN B 9 92.910 -21.901 29.883 1.00 0.00 H new ATOM 0 HA GLN B 9 91.562 -21.768 32.387 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.780 -22.933 29.675 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.656 -22.783 31.011 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.102 -20.315 31.115 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.237 -20.462 29.788 1.00 0.00 H new ATOM 0 HE21 GLN B 9 90.018 -19.222 28.243 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.451 -19.762 27.629 1.00 0.00 H new ATOM 979 N GLU B 10 92.303 -24.806 31.331 1.00 0.00 N ATOM 980 CA GLU B 10 92.425 -26.217 31.798 1.00 0.00 C ATOM 981 C GLU B 10 93.349 -26.281 33.015 1.00 0.00 C ATOM 982 O GLU B 10 93.119 -27.027 33.947 1.00 0.00 O ATOM 983 CB GLU B 10 93.002 -27.080 30.675 1.00 0.00 C ATOM 984 CG GLU B 10 92.964 -28.551 31.095 1.00 0.00 C ATOM 985 CD GLU B 10 93.407 -29.431 29.924 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.558 -28.901 28.835 1.00 0.00 O ATOM 987 OE2 GLU B 10 93.583 -30.620 30.135 1.00 0.00 O ATOM 0 H GLU B 10 92.639 -24.635 30.383 1.00 0.00 H new ATOM 0 HA GLU B 10 91.439 -26.590 32.074 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.428 -26.937 29.760 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.027 -26.778 30.459 1.00 0.00 H new ATOM 0 HG2 GLU B 10 93.618 -28.712 31.952 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.956 -28.824 31.408 1.00 0.00 H new ATOM 994 N GLU B 11 94.411 -25.523 32.997 1.00 0.00 N ATOM 995 CA GLU B 11 95.385 -25.546 34.130 1.00 0.00 C ATOM 996 C GLU B 11 95.017 -24.483 35.173 1.00 0.00 C ATOM 997 O GLU B 11 95.696 -24.322 36.166 1.00 0.00 O ATOM 998 CB GLU B 11 96.782 -25.254 33.578 1.00 0.00 C ATOM 999 CG GLU B 11 97.154 -26.328 32.551 1.00 0.00 C ATOM 1000 CD GLU B 11 98.523 -26.009 31.947 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.037 -24.940 32.228 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.031 -26.836 31.207 1.00 0.00 O ATOM 0 H GLU B 11 94.649 -24.882 32.240 1.00 0.00 H new ATOM 0 HA GLU B 11 95.362 -26.525 34.608 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.804 -24.268 33.114 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.511 -25.241 34.388 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.175 -27.309 33.027 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.400 -26.371 31.765 1.00 0.00 H new ATOM 1009 N CYS B 12 93.953 -23.758 34.965 1.00 0.00 N ATOM 1010 CA CYS B 12 93.564 -22.715 35.960 1.00 0.00 C ATOM 1011 C CYS B 12 93.567 -23.324 37.364 1.00 0.00 C ATOM 1012 O CYS B 12 94.005 -22.715 38.319 1.00 0.00 O ATOM 1013 CB CYS B 12 92.160 -22.198 35.641 1.00 0.00 C ATOM 1014 SG CYS B 12 91.716 -20.894 36.818 1.00 0.00 S ATOM 0 H CYS B 12 93.338 -23.840 34.155 1.00 0.00 H new ATOM 0 HA CYS B 12 94.276 -21.891 35.914 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.126 -21.811 34.623 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.439 -23.014 35.696 1.00 0.00 H new ATOM 1019 N GLU B 13 93.080 -24.526 37.490 1.00 0.00 N ATOM 1020 CA GLU B 13 93.046 -25.191 38.823 1.00 0.00 C ATOM 1021 C GLU B 13 94.471 -25.326 39.374 1.00 0.00 C ATOM 1022 O GLU B 13 94.707 -25.181 40.556 1.00 0.00 O ATOM 1023 CB GLU B 13 92.414 -26.576 38.670 1.00 0.00 C ATOM 1024 CG GLU B 13 90.923 -26.415 38.368 1.00 0.00 C ATOM 1025 CD GLU B 13 90.280 -27.792 38.197 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.012 -28.766 38.168 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.065 -27.848 38.098 1.00 0.00 O ATOM 0 H GLU B 13 92.701 -25.080 36.722 1.00 0.00 H new ATOM 0 HA GLU B 13 92.457 -24.593 39.518 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.903 -27.126 37.866 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.552 -27.155 39.583 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.435 -25.873 39.178 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.787 -25.825 37.462 1.00 0.00 H new ATOM 1034 N LYS B 14 95.420 -25.611 38.523 1.00 0.00 N ATOM 1035 CA LYS B 14 96.829 -25.766 38.992 1.00 0.00 C ATOM 1036 C LYS B 14 97.329 -24.444 39.581 1.00 0.00 C ATOM 1037 O LYS B 14 98.020 -24.425 40.581 1.00 0.00 O ATOM 1038 CB LYS B 14 97.715 -26.168 37.811 1.00 0.00 C ATOM 1039 CG LYS B 14 97.370 -27.599 37.399 1.00 0.00 C ATOM 1040 CD LYS B 14 98.243 -28.026 36.217 1.00 0.00 C ATOM 1041 CE LYS B 14 97.889 -29.459 35.808 1.00 0.00 C ATOM 1042 NZ LYS B 14 97.726 -30.303 37.027 1.00 0.00 N ATOM 0 H LYS B 14 95.281 -25.744 37.521 1.00 0.00 H new ATOM 0 HA LYS B 14 96.871 -26.538 39.760 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.560 -25.487 36.974 1.00 0.00 H new ATOM 0 HB3 LYS B 14 98.767 -26.098 38.088 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.524 -28.276 38.239 1.00 0.00 H new ATOM 0 HG3 LYS B 14 96.317 -27.664 37.126 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.091 -27.349 35.376 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.297 -27.965 36.489 1.00 0.00 H new ATOM 0 HE2 LYS B 14 96.968 -29.464 35.224 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.672 -29.870 35.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 97.824 -31.306 36.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 98.456 -30.051 37.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 96.784 -30.141 37.438 1.00 0.00 H new ATOM 1056 N TYR B 15 96.987 -23.338 38.976 1.00 0.00 N ATOM 1057 CA TYR B 15 97.449 -22.022 39.512 1.00 0.00 C ATOM 1058 C TYR B 15 96.454 -21.532 40.568 1.00 0.00 C ATOM 1059 O TYR B 15 96.770 -20.696 41.390 1.00 0.00 O ATOM 1060 CB TYR B 15 97.531 -21.004 38.372 1.00 0.00 C ATOM 1061 CG TYR B 15 98.570 -21.454 37.372 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.914 -21.111 37.560 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.189 -22.215 36.261 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.878 -21.531 36.636 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.155 -22.634 35.336 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.499 -22.292 35.524 1.00 0.00 C ATOM 1067 OH TYR B 15 101.450 -22.703 34.613 1.00 0.00 O ATOM 0 H TYR B 15 96.410 -23.287 38.137 1.00 0.00 H new ATOM 0 HA TYR B 15 98.435 -22.136 39.963 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.560 -20.907 37.886 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.790 -20.021 38.765 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.207 -20.523 38.417 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.152 -22.479 36.117 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.915 -21.268 36.781 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.862 -23.221 34.478 1.00 0.00 H new ATOM 0 HH TYR B 15 102.051 -21.956 34.408 1.00 0.00 H new ATOM 1077 N HIS B 16 95.261 -22.062 40.553 1.00 0.00 N ATOM 1078 CA HIS B 16 94.235 -21.655 41.560 1.00 0.00 C ATOM 1079 C HIS B 16 93.992 -20.141 41.498 1.00 0.00 C ATOM 1080 O HIS B 16 93.804 -19.570 40.443 1.00 0.00 O ATOM 1081 CB HIS B 16 94.700 -22.042 42.969 1.00 0.00 C ATOM 1082 CG HIS B 16 95.014 -23.513 43.021 1.00 0.00 C ATOM 1083 ND1 HIS B 16 96.303 -24.000 42.855 1.00 0.00 N ATOM 1084 CD2 HIS B 16 94.221 -24.615 43.234 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.249 -25.340 42.971 1.00 0.00 C ATOM 1086 NE2 HIS B 16 95.007 -25.762 43.203 1.00 0.00 N ATOM 0 H HIS B 16 94.950 -22.764 39.882 1.00 0.00 H new ATOM 0 HA HIS B 16 93.303 -22.172 41.331 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.583 -21.463 43.241 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.924 -21.801 43.696 1.00 0.00 H new ATOM 0 HD2 HIS B 16 93.154 -24.594 43.400 1.00 0.00 H new ATOM 0 HE1 HIS B 16 97.106 -25.992 42.886 1.00 0.00 H new ATOM 0 HE2 HIS B 16 94.697 -26.725 43.331 1.00 0.00 H new ATOM 1095 N SER B 17 93.977 -19.498 42.637 1.00 0.00 N ATOM 1096 CA SER B 17 93.724 -18.028 42.689 1.00 0.00 C ATOM 1097 C SER B 17 95.003 -17.246 42.393 1.00 0.00 C ATOM 1098 O SER B 17 94.983 -16.038 42.260 1.00 0.00 O ATOM 1099 CB SER B 17 93.249 -17.665 44.088 1.00 0.00 C ATOM 1100 OG SER B 17 94.261 -18.004 45.027 1.00 0.00 O ATOM 0 H SER B 17 94.132 -19.936 43.545 1.00 0.00 H new ATOM 0 HA SER B 17 92.973 -17.774 41.941 1.00 0.00 H new ATOM 0 HB2 SER B 17 93.026 -16.600 44.144 1.00 0.00 H new ATOM 0 HB3 SER B 17 92.327 -18.197 44.321 1.00 0.00 H new ATOM 0 HG SER B 17 93.961 -17.771 45.930 1.00 0.00 H new ATOM 1106 N ASN B 18 96.114 -17.910 42.313 1.00 0.00 N ATOM 1107 CA ASN B 18 97.389 -17.182 42.052 1.00 0.00 C ATOM 1108 C ASN B 18 97.485 -16.828 40.568 1.00 0.00 C ATOM 1109 O ASN B 18 98.190 -17.464 39.808 1.00 0.00 O ATOM 1110 CB ASN B 18 98.570 -18.071 42.437 1.00 0.00 C ATOM 1111 CG ASN B 18 98.613 -18.220 43.956 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.064 -17.408 44.675 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.242 -19.235 44.480 1.00 0.00 N ATOM 0 H ASN B 18 96.200 -18.921 42.416 1.00 0.00 H new ATOM 0 HA ASN B 18 97.410 -16.268 42.645 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.473 -19.049 41.966 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.501 -17.635 42.076 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.273 -19.348 45.493 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.703 -19.916 43.877 1.00 0.00 H new ATOM 1120 N TRP B 19 96.785 -15.809 40.155 1.00 0.00 N ATOM 1121 CA TRP B 19 96.835 -15.402 38.727 1.00 0.00 C ATOM 1122 C TRP B 19 98.211 -14.803 38.418 1.00 0.00 C ATOM 1123 O TRP B 19 98.670 -14.827 37.294 1.00 0.00 O ATOM 1124 CB TRP B 19 95.744 -14.363 38.456 1.00 0.00 C ATOM 1125 CG TRP B 19 95.960 -13.163 39.320 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.473 -13.004 40.573 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.706 -11.950 39.013 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.874 -11.771 41.054 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.638 -11.084 40.130 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.430 -11.521 37.885 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.264 -9.837 40.126 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.062 -10.269 37.880 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.980 -9.428 38.999 1.00 0.00 C ATOM 0 H TRP B 19 96.180 -15.240 40.747 1.00 0.00 H new ATOM 0 HA TRP B 19 96.669 -16.271 38.091 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.758 -14.073 37.405 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.762 -14.793 38.655 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.870 -13.722 41.109 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.635 -11.412 41.978 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.499 -12.160 37.017 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.195 -9.192 40.989 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.615 -9.951 37.009 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.470 -8.465 38.989 1.00 0.00 H new ATOM 1144 N ARG B 20 98.874 -14.264 39.409 1.00 0.00 N ATOM 1145 CA ARG B 20 100.219 -13.665 39.168 1.00 0.00 C ATOM 1146 C ARG B 20 101.182 -14.741 38.656 1.00 0.00 C ATOM 1147 O ARG B 20 101.980 -14.501 37.772 1.00 0.00 O ATOM 1148 CB ARG B 20 100.762 -13.073 40.474 1.00 0.00 C ATOM 1149 CG ARG B 20 99.951 -11.829 40.850 1.00 0.00 C ATOM 1150 CD ARG B 20 100.492 -11.235 42.155 1.00 0.00 C ATOM 1151 NE ARG B 20 99.670 -10.051 42.541 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.740 -9.574 43.755 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.521 -10.140 44.636 1.00 0.00 N ATOM 1154 NH2 ARG B 20 99.027 -8.534 44.091 1.00 0.00 N ATOM 0 H ARG B 20 98.542 -14.213 40.372 1.00 0.00 H new ATOM 0 HA ARG B 20 100.130 -12.876 38.421 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.704 -13.813 41.272 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.814 -12.812 40.357 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.009 -11.090 40.051 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.899 -12.090 40.967 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.465 -11.984 42.947 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.534 -10.942 42.029 1.00 0.00 H new ATOM 0 HE ARG B 20 99.053 -9.614 41.856 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.077 -10.955 44.376 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.575 -9.767 45.584 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.414 -8.093 43.405 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.082 -8.162 45.039 1.00 0.00 H new ATOM 1168 N ALA B 21 101.116 -15.923 39.205 1.00 0.00 N ATOM 1169 CA ALA B 21 102.032 -17.008 38.746 1.00 0.00 C ATOM 1170 C ALA B 21 101.678 -17.404 37.313 1.00 0.00 C ATOM 1171 O ALA B 21 102.541 -17.578 36.476 1.00 0.00 O ATOM 1172 CB ALA B 21 101.880 -18.226 39.660 1.00 0.00 C ATOM 0 H ALA B 21 100.470 -16.185 39.949 1.00 0.00 H new ATOM 0 HA ALA B 21 103.061 -16.651 38.782 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.549 -19.018 39.325 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.132 -17.947 40.683 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.850 -18.581 39.624 1.00 0.00 H new ATOM 1178 N MET B 22 100.415 -17.547 37.025 1.00 0.00 N ATOM 1179 CA MET B 22 100.005 -17.930 35.647 1.00 0.00 C ATOM 1180 C MET B 22 100.438 -16.834 34.668 1.00 0.00 C ATOM 1181 O MET B 22 100.923 -17.110 33.589 1.00 0.00 O ATOM 1182 CB MET B 22 98.485 -18.106 35.612 1.00 0.00 C ATOM 1183 CG MET B 22 98.043 -18.548 34.217 1.00 0.00 C ATOM 1184 SD MET B 22 96.307 -19.061 34.274 1.00 0.00 S ATOM 1185 CE MET B 22 95.618 -17.488 34.843 1.00 0.00 C ATOM 0 H MET B 22 99.649 -17.415 37.685 1.00 0.00 H new ATOM 0 HA MET B 22 100.480 -18.867 35.358 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.179 -18.846 36.351 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.996 -17.169 35.878 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.170 -17.731 33.507 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.666 -19.372 33.869 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.560 -17.439 34.583 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.730 -17.412 35.925 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.148 -16.664 34.364 1.00 0.00 H new ATOM 1195 N ALA B 23 100.278 -15.592 35.039 1.00 0.00 N ATOM 1196 CA ALA B 23 100.693 -14.486 34.131 1.00 0.00 C ATOM 1197 C ALA B 23 102.195 -14.607 33.848 1.00 0.00 C ATOM 1198 O ALA B 23 102.648 -14.403 32.739 1.00 0.00 O ATOM 1199 CB ALA B 23 100.401 -13.142 34.801 1.00 0.00 C ATOM 0 H ALA B 23 99.879 -15.297 35.930 1.00 0.00 H new ATOM 0 HA ALA B 23 100.139 -14.548 33.194 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.704 -12.332 34.138 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.334 -13.062 35.007 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.957 -13.073 35.736 1.00 0.00 H new ATOM 1205 N SER B 24 102.966 -14.938 34.848 1.00 0.00 N ATOM 1206 CA SER B 24 104.439 -15.079 34.654 1.00 0.00 C ATOM 1207 C SER B 24 104.726 -16.255 33.717 1.00 0.00 C ATOM 1208 O SER B 24 105.620 -16.205 32.893 1.00 0.00 O ATOM 1209 CB SER B 24 105.111 -15.333 36.006 1.00 0.00 C ATOM 1210 OG SER B 24 104.989 -14.172 36.819 1.00 0.00 O ATOM 0 H SER B 24 102.638 -15.118 35.797 1.00 0.00 H new ATOM 0 HA SER B 24 104.833 -14.162 34.216 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.648 -16.187 36.500 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.163 -15.580 35.861 1.00 0.00 H new ATOM 0 HG SER B 24 104.085 -14.130 37.196 1.00 0.00 H new ATOM 1216 N ASP B 25 103.985 -17.320 33.850 1.00 0.00 N ATOM 1217 CA ASP B 25 104.223 -18.512 32.986 1.00 0.00 C ATOM 1218 C ASP B 25 103.837 -18.188 31.545 1.00 0.00 C ATOM 1219 O ASP B 25 104.560 -18.488 30.616 1.00 0.00 O ATOM 1220 CB ASP B 25 103.356 -19.666 33.484 1.00 0.00 C ATOM 1221 CG ASP B 25 103.787 -20.966 32.801 1.00 0.00 C ATOM 1222 OD1 ASP B 25 104.541 -20.889 31.844 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.357 -22.017 33.247 1.00 0.00 O ATOM 0 H ASP B 25 103.223 -17.417 34.521 1.00 0.00 H new ATOM 0 HA ASP B 25 105.277 -18.787 33.027 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.450 -19.764 34.566 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.306 -19.463 33.272 1.00 0.00 H new ATOM 1228 N PHE B 26 102.704 -17.574 31.353 1.00 0.00 N ATOM 1229 CA PHE B 26 102.268 -17.223 29.967 1.00 0.00 C ATOM 1230 C PHE B 26 102.736 -15.802 29.633 1.00 0.00 C ATOM 1231 O PHE B 26 102.526 -15.307 28.545 1.00 0.00 O ATOM 1232 CB PHE B 26 100.740 -17.300 29.869 1.00 0.00 C ATOM 1233 CG PHE B 26 100.293 -18.745 29.955 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.004 -19.318 31.199 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.163 -19.512 28.787 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.586 -20.652 31.278 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.746 -20.845 28.867 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.457 -21.415 30.111 1.00 0.00 C ATOM 0 H PHE B 26 102.059 -17.299 32.093 1.00 0.00 H new ATOM 0 HA PHE B 26 102.706 -17.927 29.259 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.285 -16.721 30.672 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.404 -16.861 28.930 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.104 -18.730 32.099 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.385 -19.073 27.826 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.363 -21.092 32.239 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.647 -21.434 27.967 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.134 -22.444 30.172 1.00 0.00 H new ATOM 1248 N ASN B 27 103.388 -15.153 30.562 1.00 0.00 N ATOM 1249 CA ASN B 27 103.896 -13.773 30.306 1.00 0.00 C ATOM 1250 C ASN B 27 102.775 -12.877 29.774 1.00 0.00 C ATOM 1251 O ASN B 27 102.936 -12.201 28.778 1.00 0.00 O ATOM 1252 CB ASN B 27 105.024 -13.841 29.277 1.00 0.00 C ATOM 1253 CG ASN B 27 106.193 -14.634 29.864 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.058 -15.916 30.069 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 107.236 -14.080 30.149 1.00 0.00 N flip ATOM 0 H ASN B 27 103.591 -15.521 31.491 1.00 0.00 H new ATOM 0 HA ASN B 27 104.264 -13.351 31.241 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.670 -14.316 28.362 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.349 -12.836 29.009 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.342 -13.078 29.989 1.00 0.00 H new ATOM 0 HD22 ASN B 27 108.006 -14.617 30.548 1.00 0.00 H new ATOM 1262 N LEU B 28 101.642 -12.866 30.434 1.00 0.00 N ATOM 1263 CA LEU B 28 100.494 -12.010 29.978 1.00 0.00 C ATOM 1264 C LEU B 28 100.223 -10.920 31.028 1.00 0.00 C ATOM 1265 O LEU B 28 100.504 -11.102 32.194 1.00 0.00 O ATOM 1266 CB LEU B 28 99.249 -12.895 29.841 1.00 0.00 C ATOM 1267 CG LEU B 28 99.290 -13.667 28.507 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.380 -14.897 28.594 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.803 -12.767 27.354 1.00 0.00 C ATOM 0 H LEU B 28 101.459 -13.415 31.274 1.00 0.00 H new ATOM 0 HA LEU B 28 100.733 -11.544 29.022 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.199 -13.596 30.674 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.350 -12.280 29.887 1.00 0.00 H new ATOM 0 HG LEU B 28 100.318 -13.976 28.316 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.411 -15.440 27.650 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.723 -15.547 29.398 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.357 -14.579 28.796 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.837 -13.324 26.418 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.779 -12.448 27.549 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.448 -11.892 27.279 1.00 0.00 H new ATOM 1281 N PRO B 29 99.666 -9.798 30.627 1.00 0.00 N ATOM 1282 CA PRO B 29 99.346 -8.687 31.570 1.00 0.00 C ATOM 1283 C PRO B 29 98.057 -8.976 32.365 1.00 0.00 C ATOM 1284 O PRO B 29 97.181 -9.670 31.886 1.00 0.00 O ATOM 1285 CB PRO B 29 99.159 -7.486 30.640 1.00 0.00 C ATOM 1286 CG PRO B 29 98.607 -8.078 29.385 1.00 0.00 C ATOM 1287 CD PRO B 29 99.276 -9.452 29.242 1.00 0.00 C ATOM 0 HA PRO B 29 100.119 -8.534 32.323 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.476 -6.753 31.069 1.00 0.00 H new ATOM 0 HB3 PRO B 29 100.103 -6.973 30.457 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.523 -8.175 29.442 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.826 -7.445 28.525 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.591 -10.189 28.823 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.142 -9.409 28.581 1.00 0.00 H new ATOM 1295 N PRO B 30 97.934 -8.457 33.562 1.00 0.00 N ATOM 1296 CA PRO B 30 96.728 -8.681 34.411 1.00 0.00 C ATOM 1297 C PRO B 30 95.415 -8.689 33.611 1.00 0.00 C ATOM 1298 O PRO B 30 94.420 -9.228 34.054 1.00 0.00 O ATOM 1299 CB PRO B 30 96.760 -7.495 35.381 1.00 0.00 C ATOM 1300 CG PRO B 30 98.214 -7.160 35.543 1.00 0.00 C ATOM 1301 CD PRO B 30 98.921 -7.601 34.248 1.00 0.00 C ATOM 0 HA PRO B 30 96.754 -9.657 34.896 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.202 -6.647 34.985 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.307 -7.756 36.337 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.348 -6.091 35.711 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.635 -7.674 36.407 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.197 -6.743 33.635 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.839 -8.148 34.463 1.00 0.00 H new ATOM 1309 N VAL B 31 95.391 -8.090 32.450 1.00 0.00 N ATOM 1310 CA VAL B 31 94.123 -8.069 31.661 1.00 0.00 C ATOM 1311 C VAL B 31 93.672 -9.498 31.354 1.00 0.00 C ATOM 1312 O VAL B 31 92.597 -9.915 31.732 1.00 0.00 O ATOM 1313 CB VAL B 31 94.338 -7.315 30.339 1.00 0.00 C ATOM 1314 CG1 VAL B 31 93.106 -7.474 29.430 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.555 -5.830 30.630 1.00 0.00 C ATOM 0 H VAL B 31 96.185 -7.619 32.017 1.00 0.00 H new ATOM 0 HA VAL B 31 93.357 -7.564 32.249 1.00 0.00 H new ATOM 0 HB VAL B 31 95.212 -7.728 29.836 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.270 -6.935 28.497 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.946 -8.531 29.216 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.228 -7.069 29.933 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.708 -5.294 29.693 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.680 -5.427 31.140 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.433 -5.708 31.265 1.00 0.00 H new ATOM 1325 N VAL B 32 94.476 -10.236 30.642 1.00 0.00 N ATOM 1326 CA VAL B 32 94.084 -11.626 30.282 1.00 0.00 C ATOM 1327 C VAL B 32 94.097 -12.531 31.520 1.00 0.00 C ATOM 1328 O VAL B 32 93.237 -13.372 31.684 1.00 0.00 O ATOM 1329 CB VAL B 32 95.051 -12.169 29.223 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.817 -13.673 29.021 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.820 -11.432 27.900 1.00 0.00 C ATOM 0 H VAL B 32 95.387 -9.937 30.294 1.00 0.00 H new ATOM 0 HA VAL B 32 93.071 -11.614 29.880 1.00 0.00 H new ATOM 0 HB VAL B 32 96.076 -12.011 29.557 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.508 -14.051 28.267 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.985 -14.197 29.962 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.792 -13.841 28.690 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.506 -11.816 27.145 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.793 -11.589 27.570 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.996 -10.366 28.042 1.00 0.00 H new ATOM 1341 N ALA B 33 95.059 -12.384 32.389 1.00 0.00 N ATOM 1342 CA ALA B 33 95.092 -13.267 33.588 1.00 0.00 C ATOM 1343 C ALA B 33 93.810 -13.066 34.396 1.00 0.00 C ATOM 1344 O ALA B 33 93.136 -14.010 34.757 1.00 0.00 O ATOM 1345 CB ALA B 33 96.313 -12.928 34.450 1.00 0.00 C ATOM 0 H ALA B 33 95.814 -11.701 32.323 1.00 0.00 H new ATOM 0 HA ALA B 33 95.163 -14.308 33.273 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.332 -13.577 35.326 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.222 -13.078 33.868 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.255 -11.888 34.771 1.00 0.00 H new ATOM 1351 N LYS B 34 93.461 -11.842 34.666 1.00 0.00 N ATOM 1352 CA LYS B 34 92.215 -11.571 35.438 1.00 0.00 C ATOM 1353 C LYS B 34 91.015 -12.134 34.671 1.00 0.00 C ATOM 1354 O LYS B 34 90.095 -12.682 35.247 1.00 0.00 O ATOM 1355 CB LYS B 34 92.046 -10.056 35.607 1.00 0.00 C ATOM 1356 CG LYS B 34 93.114 -9.500 36.566 1.00 0.00 C ATOM 1357 CD LYS B 34 92.717 -9.750 38.027 1.00 0.00 C ATOM 1358 CE LYS B 34 93.713 -9.038 38.947 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.779 -7.593 38.589 1.00 0.00 N ATOM 0 H LYS B 34 93.985 -11.013 34.385 1.00 0.00 H new ATOM 0 HA LYS B 34 92.277 -12.044 36.418 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.127 -9.564 34.638 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.051 -9.836 35.994 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.075 -9.971 36.360 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.240 -8.431 36.397 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.707 -9.383 38.210 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.710 -10.820 38.237 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.408 -9.152 39.987 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.699 -9.492 38.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.854 -7.024 39.456 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.611 -7.422 37.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.918 -7.324 38.071 1.00 0.00 H new ATOM 1373 N GLU B 35 91.012 -11.986 33.375 1.00 0.00 N ATOM 1374 CA GLU B 35 89.872 -12.492 32.558 1.00 0.00 C ATOM 1375 C GLU B 35 89.720 -14.003 32.736 1.00 0.00 C ATOM 1376 O GLU B 35 88.623 -14.510 32.867 1.00 0.00 O ATOM 1377 CB GLU B 35 90.136 -12.181 31.084 1.00 0.00 C ATOM 1378 CG GLU B 35 88.922 -12.583 30.238 1.00 0.00 C ATOM 1379 CD GLU B 35 88.925 -14.096 29.983 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.993 -14.685 30.007 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.854 -14.638 29.756 1.00 0.00 O ATOM 0 H GLU B 35 91.755 -11.533 32.843 1.00 0.00 H new ATOM 0 HA GLU B 35 88.954 -12.004 32.886 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.341 -11.118 30.959 1.00 0.00 H new ATOM 0 HB3 GLU B 35 91.021 -12.718 30.743 1.00 0.00 H new ATOM 0 HG2 GLU B 35 88.003 -12.296 30.749 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.939 -12.048 29.289 1.00 0.00 H new ATOM 1388 N ILE B 36 90.801 -14.732 32.745 1.00 0.00 N ATOM 1389 CA ILE B 36 90.683 -16.205 32.921 1.00 0.00 C ATOM 1390 C ILE B 36 90.052 -16.473 34.287 1.00 0.00 C ATOM 1391 O ILE B 36 89.194 -17.321 34.432 1.00 0.00 O ATOM 1392 CB ILE B 36 92.073 -16.840 32.829 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.642 -16.594 31.429 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.968 -18.347 33.070 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.118 -16.997 31.396 1.00 0.00 C ATOM 0 H ILE B 36 91.751 -14.376 32.639 1.00 0.00 H new ATOM 0 HA ILE B 36 90.057 -16.640 32.142 1.00 0.00 H new ATOM 0 HB ILE B 36 92.726 -16.398 33.581 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.081 -17.168 30.692 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.536 -15.543 31.162 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.959 -18.796 33.004 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.553 -18.529 34.061 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.317 -18.791 32.317 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.521 -16.821 30.399 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.674 -16.403 32.122 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.212 -18.054 31.644 1.00 0.00 H new ATOM 1407 N VAL B 37 90.442 -15.724 35.283 1.00 0.00 N ATOM 1408 CA VAL B 37 89.834 -15.898 36.632 1.00 0.00 C ATOM 1409 C VAL B 37 88.369 -15.466 36.555 1.00 0.00 C ATOM 1410 O VAL B 37 87.495 -16.084 37.128 1.00 0.00 O ATOM 1411 CB VAL B 37 90.578 -15.019 37.647 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.812 -14.995 38.976 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.979 -15.590 37.881 1.00 0.00 C ATOM 0 H VAL B 37 91.156 -14.999 35.220 1.00 0.00 H new ATOM 0 HA VAL B 37 89.904 -16.939 36.948 1.00 0.00 H new ATOM 0 HB VAL B 37 90.653 -14.004 37.256 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.345 -14.370 39.692 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.813 -14.590 38.813 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.732 -16.009 39.368 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.510 -14.968 38.601 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.898 -16.605 38.269 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.528 -15.604 36.940 1.00 0.00 H new ATOM 1423 N ALA B 38 88.104 -14.407 35.839 1.00 0.00 N ATOM 1424 CA ALA B 38 86.704 -13.915 35.704 1.00 0.00 C ATOM 1425 C ALA B 38 85.827 -15.012 35.099 1.00 0.00 C ATOM 1426 O ALA B 38 84.615 -14.969 35.182 1.00 0.00 O ATOM 1427 CB ALA B 38 86.682 -12.687 34.790 1.00 0.00 C ATOM 0 H ALA B 38 88.803 -13.858 35.338 1.00 0.00 H new ATOM 0 HA ALA B 38 86.320 -13.647 36.688 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.658 -12.326 34.690 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.303 -11.902 35.221 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.069 -12.958 33.807 1.00 0.00 H new ATOM 1433 N SER B 39 86.429 -15.995 34.483 1.00 0.00 N ATOM 1434 CA SER B 39 85.629 -17.093 33.866 1.00 0.00 C ATOM 1435 C SER B 39 85.461 -18.222 34.883 1.00 0.00 C ATOM 1436 O SER B 39 84.381 -18.741 35.078 1.00 0.00 O ATOM 1437 CB SER B 39 86.370 -17.621 32.638 1.00 0.00 C ATOM 1438 OG SER B 39 86.389 -16.615 31.633 1.00 0.00 O ATOM 0 H SER B 39 87.440 -16.085 34.381 1.00 0.00 H new ATOM 0 HA SER B 39 84.649 -16.719 33.570 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.388 -17.903 32.906 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.880 -18.519 32.261 1.00 0.00 H new ATOM 0 HG SER B 39 87.014 -15.906 31.892 1.00 0.00 H new ATOM 1444 N CYS B 40 86.520 -18.590 35.548 1.00 0.00 N ATOM 1445 CA CYS B 40 86.419 -19.668 36.569 1.00 0.00 C ATOM 1446 C CYS B 40 85.423 -19.237 37.648 1.00 0.00 C ATOM 1447 O CYS B 40 85.502 -18.144 38.172 1.00 0.00 O ATOM 1448 CB CYS B 40 87.794 -19.897 37.197 1.00 0.00 C ATOM 1449 SG CYS B 40 87.799 -21.471 38.092 1.00 0.00 S ATOM 0 H CYS B 40 87.451 -18.191 35.428 1.00 0.00 H new ATOM 0 HA CYS B 40 86.077 -20.593 36.105 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.562 -19.905 36.423 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.035 -19.080 37.877 1.00 0.00 H new ATOM 1454 N ASP B 41 84.483 -20.076 37.980 1.00 0.00 N ATOM 1455 CA ASP B 41 83.483 -19.695 39.017 1.00 0.00 C ATOM 1456 C ASP B 41 84.083 -19.872 40.416 1.00 0.00 C ATOM 1457 O ASP B 41 83.684 -19.214 41.357 1.00 0.00 O ATOM 1458 CB ASP B 41 82.249 -20.589 38.880 1.00 0.00 C ATOM 1459 CG ASP B 41 81.500 -20.234 37.594 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.653 -19.115 37.132 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.791 -21.090 37.089 1.00 0.00 O ATOM 0 H ASP B 41 84.363 -21.007 37.580 1.00 0.00 H new ATOM 0 HA ASP B 41 83.203 -18.651 38.878 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.547 -21.637 38.862 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.595 -20.458 39.742 1.00 0.00 H new ATOM 1466 N LYS B 42 85.026 -20.764 40.569 1.00 0.00 N ATOM 1467 CA LYS B 42 85.627 -20.987 41.916 1.00 0.00 C ATOM 1468 C LYS B 42 86.559 -19.831 42.289 1.00 0.00 C ATOM 1469 O LYS B 42 86.532 -19.335 43.400 1.00 0.00 O ATOM 1470 CB LYS B 42 86.431 -22.289 41.905 1.00 0.00 C ATOM 1471 CG LYS B 42 85.486 -23.471 41.686 1.00 0.00 C ATOM 1472 CD LYS B 42 86.286 -24.774 41.673 1.00 0.00 C ATOM 1473 CE LYS B 42 85.338 -25.951 41.454 1.00 0.00 C ATOM 1474 NZ LYS B 42 84.322 -25.985 42.545 1.00 0.00 N ATOM 0 H LYS B 42 85.405 -21.346 39.822 1.00 0.00 H new ATOM 0 HA LYS B 42 84.823 -21.046 42.649 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.181 -22.259 41.115 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.965 -22.407 42.848 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.736 -23.501 42.477 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.951 -23.352 40.744 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.036 -24.745 40.882 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.821 -24.894 42.615 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.844 -25.858 40.487 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.900 -26.885 41.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.152 -26.970 42.831 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.671 -25.443 43.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.433 -25.565 42.205 1.00 0.00 H new ATOM 1488 N CYS B 43 87.398 -19.407 41.383 1.00 0.00 N ATOM 1489 CA CYS B 43 88.342 -18.297 41.705 1.00 0.00 C ATOM 1490 C CYS B 43 87.637 -16.938 41.612 1.00 0.00 C ATOM 1491 O CYS B 43 88.000 -15.998 42.291 1.00 0.00 O ATOM 1492 CB CYS B 43 89.519 -18.330 40.726 1.00 0.00 C ATOM 1493 SG CYS B 43 90.432 -19.881 40.929 1.00 0.00 S ATOM 0 H CYS B 43 87.471 -19.780 40.436 1.00 0.00 H new ATOM 0 HA CYS B 43 88.702 -18.431 42.725 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.156 -18.241 39.702 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.179 -17.481 40.906 1.00 0.00 H new ATOM 1498 N GLN B 44 86.651 -16.813 40.765 1.00 0.00 N ATOM 1499 CA GLN B 44 85.957 -15.496 40.627 1.00 0.00 C ATOM 1500 C GLN B 44 85.100 -15.189 41.860 1.00 0.00 C ATOM 1501 O GLN B 44 85.234 -14.151 42.475 1.00 0.00 O ATOM 1502 CB GLN B 44 85.059 -15.510 39.386 1.00 0.00 C ATOM 1503 CG GLN B 44 84.474 -14.111 39.171 1.00 0.00 C ATOM 1504 CD GLN B 44 83.614 -14.097 37.908 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.181 -15.133 37.441 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.348 -12.958 37.330 1.00 0.00 N ATOM 0 H GLN B 44 86.297 -17.559 40.166 1.00 0.00 H new ATOM 0 HA GLN B 44 86.720 -14.724 40.530 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.633 -15.816 38.511 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.257 -16.237 39.511 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.874 -13.821 40.034 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.278 -13.380 39.082 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.712 -12.090 37.723 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.776 -12.936 36.486 1.00 0.00 H new ATOM 1515 N LEU B 45 84.201 -16.067 42.208 1.00 0.00 N ATOM 1516 CA LEU B 45 83.313 -15.803 43.382 1.00 0.00 C ATOM 1517 C LEU B 45 84.048 -16.128 44.687 1.00 0.00 C ATOM 1518 O LEU B 45 84.939 -16.953 44.722 1.00 0.00 O ATOM 1519 CB LEU B 45 82.059 -16.677 43.276 1.00 0.00 C ATOM 1520 CG LEU B 45 81.296 -16.353 41.982 1.00 0.00 C ATOM 1521 CD1 LEU B 45 80.095 -17.297 41.860 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.806 -14.891 42.000 1.00 0.00 C ATOM 0 H LEU B 45 84.040 -16.955 41.733 1.00 0.00 H new ATOM 0 HA LEU B 45 83.033 -14.750 43.385 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.339 -17.730 43.288 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.415 -16.508 44.139 1.00 0.00 H new ATOM 0 HG LEU B 45 81.962 -16.487 41.130 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.548 -17.073 40.944 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.445 -18.329 41.831 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.437 -17.161 42.718 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.267 -14.676 41.077 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.142 -14.740 42.851 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.662 -14.221 42.085 1.00 0.00 H new ATOM 1534 N LYS B 46 83.679 -15.476 45.760 1.00 0.00 N ATOM 1535 CA LYS B 46 84.352 -15.734 47.067 1.00 0.00 C ATOM 1536 C LYS B 46 83.785 -17.007 47.705 1.00 0.00 C ATOM 1537 O LYS B 46 82.673 -17.412 47.428 1.00 0.00 O ATOM 1538 CB LYS B 46 84.122 -14.549 48.008 1.00 0.00 C ATOM 1539 CG LYS B 46 84.879 -13.330 47.479 1.00 0.00 C ATOM 1540 CD LYS B 46 84.657 -12.140 48.414 1.00 0.00 C ATOM 1541 CE LYS B 46 85.422 -10.924 47.886 1.00 0.00 C ATOM 1542 NZ LYS B 46 84.835 -10.482 46.590 1.00 0.00 N ATOM 0 H LYS B 46 82.939 -14.775 45.786 1.00 0.00 H new ATOM 0 HA LYS B 46 85.421 -15.862 46.896 1.00 0.00 H new ATOM 0 HB2 LYS B 46 83.057 -14.328 48.079 1.00 0.00 H new ATOM 0 HB3 LYS B 46 84.464 -14.796 49.013 1.00 0.00 H new ATOM 0 HG2 LYS B 46 85.943 -13.554 47.406 1.00 0.00 H new ATOM 0 HG3 LYS B 46 84.536 -13.084 46.474 1.00 0.00 H new ATOM 0 HD2 LYS B 46 83.593 -11.912 48.483 1.00 0.00 H new ATOM 0 HD3 LYS B 46 84.996 -12.387 49.420 1.00 0.00 H new ATOM 0 HE2 LYS B 46 85.378 -10.112 48.612 1.00 0.00 H new ATOM 0 HE3 LYS B 46 86.474 -11.175 47.752 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 85.136 -9.508 46.387 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 85.161 -11.111 45.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 83.797 -10.518 46.649 1.00 0.00 H new ATOM 1556 N GLY B 47 84.546 -17.642 48.557 1.00 0.00 N ATOM 1557 CA GLY B 47 84.062 -18.890 49.213 1.00 0.00 C ATOM 1558 C GLY B 47 82.691 -18.646 49.851 1.00 0.00 C ATOM 1559 O GLY B 47 81.666 -18.832 49.225 1.00 0.00 O ATOM 0 H GLY B 47 85.485 -17.348 48.827 1.00 0.00 H new ATOM 0 HA2 GLY B 47 83.994 -19.694 48.480 1.00 0.00 H new ATOM 0 HA3 GLY B 47 84.774 -19.212 49.973 1.00 0.00 H new ATOM 1563 N GLU B 48 82.662 -18.235 51.092 1.00 0.00 N ATOM 1564 CA GLU B 48 81.352 -17.989 51.765 1.00 0.00 C ATOM 1565 C GLU B 48 80.856 -16.585 51.403 1.00 0.00 C ATOM 1566 O GLU B 48 81.425 -15.591 51.806 1.00 0.00 O ATOM 1567 CB GLU B 48 81.540 -18.103 53.289 1.00 0.00 C ATOM 1568 CG GLU B 48 80.199 -18.404 53.973 1.00 0.00 C ATOM 1569 CD GLU B 48 79.284 -17.180 53.892 1.00 0.00 C ATOM 1570 OE1 GLU B 48 79.799 -16.086 53.736 1.00 0.00 O ATOM 1571 OE2 GLU B 48 78.081 -17.358 53.999 1.00 0.00 O ATOM 0 H GLU B 48 83.486 -18.060 51.667 1.00 0.00 H new ATOM 0 HA GLU B 48 80.618 -18.725 51.436 1.00 0.00 H new ATOM 0 HB2 GLU B 48 82.256 -18.893 53.515 1.00 0.00 H new ATOM 0 HB3 GLU B 48 81.955 -17.174 53.681 1.00 0.00 H new ATOM 0 HG2 GLU B 48 79.721 -19.258 53.494 1.00 0.00 H new ATOM 0 HG3 GLU B 48 80.366 -18.675 55.015 1.00 0.00 H new ATOM 1578 N ALA B 49 79.798 -16.500 50.644 1.00 0.00 N ATOM 1579 CA ALA B 49 79.263 -15.164 50.257 1.00 0.00 C ATOM 1580 C ALA B 49 78.469 -14.568 51.423 1.00 0.00 C ATOM 1581 O ALA B 49 79.023 -14.206 52.442 1.00 0.00 O ATOM 1582 CB ALA B 49 78.349 -15.320 49.039 1.00 0.00 C ATOM 0 H ALA B 49 79.281 -17.298 50.275 1.00 0.00 H new ATOM 0 HA ALA B 49 80.090 -14.498 50.011 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.955 -14.345 48.752 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.917 -15.740 48.209 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.523 -15.986 49.287 1.00 0.00 H new ATOM 1588 N MET B 50 77.174 -14.480 51.278 1.00 0.00 N ATOM 1589 CA MET B 50 76.319 -13.919 52.364 1.00 0.00 C ATOM 1590 C MET B 50 76.800 -12.514 52.744 1.00 0.00 C ATOM 1591 O MET B 50 77.935 -12.146 52.519 1.00 0.00 O ATOM 1592 CB MET B 50 76.390 -14.837 53.586 1.00 0.00 C ATOM 1593 CG MET B 50 75.237 -14.516 54.539 1.00 0.00 C ATOM 1594 SD MET B 50 75.247 -15.692 55.914 1.00 0.00 S ATOM 1595 CE MET B 50 73.963 -14.891 56.903 1.00 0.00 C ATOM 0 H MET B 50 76.667 -14.776 50.444 1.00 0.00 H new ATOM 0 HA MET B 50 75.289 -13.853 52.013 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.337 -15.880 53.273 1.00 0.00 H new ATOM 0 HB3 MET B 50 77.344 -14.706 54.097 1.00 0.00 H new ATOM 0 HG2 MET B 50 75.335 -13.498 54.916 1.00 0.00 H new ATOM 0 HG3 MET B 50 74.287 -14.569 54.008 1.00 0.00 H new ATOM 0 HE1 MET B 50 73.801 -15.460 57.819 1.00 0.00 H new ATOM 0 HE2 MET B 50 74.277 -13.878 57.155 1.00 0.00 H new ATOM 0 HE3 MET B 50 73.035 -14.852 56.332 1.00 0.00 H new ATOM 1605 N HIS B 51 75.934 -11.723 53.315 1.00 0.00 N ATOM 1606 CA HIS B 51 76.322 -10.338 53.712 1.00 0.00 C ATOM 1607 C HIS B 51 77.010 -10.363 55.078 1.00 0.00 C ATOM 1608 O HIS B 51 76.842 -11.284 55.853 1.00 0.00 O ATOM 1609 CB HIS B 51 75.068 -9.464 53.788 1.00 0.00 C ATOM 1610 CG HIS B 51 74.472 -9.303 52.412 1.00 0.00 C ATOM 1611 ND1 HIS B 51 73.109 -9.130 52.215 1.00 0.00 N ATOM 1612 CD2 HIS B 51 75.037 -9.279 51.158 1.00 0.00 C ATOM 1613 CE1 HIS B 51 72.902 -9.010 50.891 1.00 0.00 C ATOM 1614 NE2 HIS B 51 74.043 -9.095 50.206 1.00 0.00 N ATOM 0 H HIS B 51 74.969 -11.977 53.525 1.00 0.00 H new ATOM 0 HA HIS B 51 77.010 -9.930 52.972 1.00 0.00 H new ATOM 0 HB2 HIS B 51 74.338 -9.917 54.459 1.00 0.00 H new ATOM 0 HB3 HIS B 51 75.319 -8.487 54.202 1.00 0.00 H new ATOM 0 HD2 HIS B 51 76.091 -9.387 50.947 1.00 0.00 H new ATOM 0 HE1 HIS B 51 71.932 -8.863 50.439 1.00 0.00 H new ATOM 0 HE2 HIS B 51 74.161 -9.037 49.194 1.00 0.00 H new ATOM 1623 N GLY B 52 77.782 -9.348 55.379 1.00 0.00 N ATOM 1624 CA GLY B 52 78.486 -9.288 56.698 1.00 0.00 C ATOM 1625 C GLY B 52 79.957 -9.674 56.526 1.00 0.00 C ATOM 1626 O GLY B 52 80.402 -10.689 57.022 1.00 0.00 O ATOM 0 H GLY B 52 77.956 -8.553 54.764 1.00 0.00 H new ATOM 0 HA2 GLY B 52 78.412 -8.283 57.113 1.00 0.00 H new ATOM 0 HA3 GLY B 52 78.005 -9.962 57.407 1.00 0.00 H new ATOM 1630 N GLN B 53 80.723 -8.863 55.844 1.00 0.00 N ATOM 1631 CA GLN B 53 82.168 -9.188 55.669 1.00 0.00 C ATOM 1632 C GLN B 53 82.908 -8.802 56.951 1.00 0.00 C ATOM 1633 O GLN B 53 82.479 -7.935 57.686 1.00 0.00 O ATOM 1634 CB GLN B 53 82.755 -8.402 54.489 1.00 0.00 C ATOM 1635 CG GLN B 53 82.188 -8.936 53.172 1.00 0.00 C ATOM 1636 CD GLN B 53 82.792 -8.157 51.999 1.00 0.00 C ATOM 1637 OE1 GLN B 53 83.369 -7.007 52.218 1.00 0.00 O flip ATOM 1638 NE2 GLN B 53 82.743 -8.604 50.869 1.00 0.00 N flip ATOM 0 H GLN B 53 80.413 -7.997 55.404 1.00 0.00 H new ATOM 0 HA GLN B 53 82.279 -10.253 55.467 1.00 0.00 H new ATOM 0 HB2 GLN B 53 82.519 -7.343 54.593 1.00 0.00 H new ATOM 0 HB3 GLN B 53 83.842 -8.488 54.488 1.00 0.00 H new ATOM 0 HG2 GLN B 53 82.414 -9.998 53.071 1.00 0.00 H new ATOM 0 HG3 GLN B 53 81.102 -8.839 53.166 1.00 0.00 H new ATOM 0 HE21 GLN B 53 82.293 -9.503 50.695 1.00 0.00 H new ATOM 0 HE22 GLN B 53 83.152 -8.080 50.095 1.00 0.00 H new ATOM 1647 N VAL B 54 84.014 -9.440 57.233 1.00 0.00 N ATOM 1648 CA VAL B 54 84.776 -9.108 58.476 1.00 0.00 C ATOM 1649 C VAL B 54 85.880 -8.103 58.138 1.00 0.00 C ATOM 1650 O VAL B 54 86.679 -8.320 57.252 1.00 0.00 O ATOM 1651 CB VAL B 54 85.397 -10.385 59.046 1.00 0.00 C ATOM 1652 CG1 VAL B 54 86.358 -10.999 58.022 1.00 0.00 C ATOM 1653 CG2 VAL B 54 86.159 -10.048 60.329 1.00 0.00 C ATOM 0 H VAL B 54 84.423 -10.176 56.658 1.00 0.00 H new ATOM 0 HA VAL B 54 84.104 -8.673 59.216 1.00 0.00 H new ATOM 0 HB VAL B 54 84.608 -11.103 59.268 1.00 0.00 H new ATOM 0 HG11 VAL B 54 86.797 -11.908 58.434 1.00 0.00 H new ATOM 0 HG12 VAL B 54 85.812 -11.241 57.110 1.00 0.00 H new ATOM 0 HG13 VAL B 54 87.150 -10.286 57.793 1.00 0.00 H new ATOM 0 HG21 VAL B 54 86.603 -10.956 60.738 1.00 0.00 H new ATOM 0 HG22 VAL B 54 86.946 -9.328 60.106 1.00 0.00 H new ATOM 0 HG23 VAL B 54 85.472 -9.620 61.059 1.00 0.00 H new ATOM 1663 N ASP B 55 85.925 -6.999 58.836 1.00 0.00 N ATOM 1664 CA ASP B 55 86.973 -5.972 58.554 1.00 0.00 C ATOM 1665 C ASP B 55 87.309 -5.214 59.839 1.00 0.00 C ATOM 1666 O ASP B 55 88.086 -4.276 59.764 1.00 0.00 O ATOM 1667 CB ASP B 55 86.450 -4.985 57.506 1.00 0.00 C ATOM 1668 CG ASP B 55 86.351 -5.680 56.146 1.00 0.00 C ATOM 1669 OD1 ASP B 55 87.210 -6.496 55.855 1.00 0.00 O ATOM 1670 OD2 ASP B 55 85.418 -5.384 55.418 1.00 0.00 O ATOM 1671 OXT ASP B 55 86.782 -5.581 60.876 1.00 0.00 O ATOM 0 H ASP B 55 85.281 -6.763 59.591 1.00 0.00 H new ATOM 0 HA ASP B 55 87.870 -6.465 58.178 1.00 0.00 H new ATOM 0 HB2 ASP B 55 85.472 -4.608 57.804 1.00 0.00 H new ATOM 0 HB3 ASP B 55 87.116 -4.125 57.438 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.404 -1.696 35.560 1.00 0.00 CD HETATM 1678 CD CD B 56 90.261 -21.599 38.916 1.00 0.00 CD