USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=20 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= -1.82 K(o=-3.5,f=-4.6) USER MOD Set 1.2: B 44 GLN : amide:sc= -1.72 K(o=-3.5,f=-4.5) USER MOD Single : A 1 PHE N :NH3+ 152:sc= 0.781 (180deg=0.228) USER MOD Single : A 7 LYS NZ :NH3+ 162:sc=-0.00989 (180deg=-0.29) USER MOD Single : A 9 GLN : amide:sc= -0.0367 K(o=-0.037,f=-1.5) USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= -0.0598 (180deg=-0.559) USER MOD Single : A 15 TYR OH : rot -25:sc= 0.455 USER MOD Single : A 16 HIS : no HD1:sc= -4.37! X(o=-4.4!,f=-4.2) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0714 K(o=-0.071,f=-2!) USER MOD Single : A 22 MET CE :methyl 157:sc= -0.19 (180deg=-1.31!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 72:sc= 0.413 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= -0.0867 (180deg=-0.642) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 53 GLN : amide:sc= -0.565 X(o=-0.56,f=-0.18) USER MOD Single : B 1 PHE N :NH3+ 141:sc= 0.737 (180deg=0.219) USER MOD Single : B 7 LYS NZ :NH3+ 162:sc= -0.0194 (180deg=-0.293) USER MOD Single : B 9 GLN : amide:sc= -0.0362 K(o=-0.036,f=-1.4!) USER MOD Single : B 14 LYS NZ :NH3+ 159:sc= -0.0737 (180deg=-0.562) USER MOD Single : B 15 TYR OH : rot -25:sc= 0.462 USER MOD Single : B 16 HIS : no HD1:sc= -4.23! X(o=-4.2!,f=-4) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0503 K(o=-0.05,f=-1.9!) USER MOD Single : B 22 MET CE :methyl 156:sc= -0.165 (180deg=-1.42!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 70:sc= 0.44 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 160:sc= -0.0837 (180deg=-0.686) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : B 53 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.225 -4.544 24.084 1.00 0.00 N ATOM 2 CA PHE A 1 94.942 -3.763 25.132 1.00 0.00 C ATOM 3 C PHE A 1 94.975 -2.298 24.719 1.00 0.00 C ATOM 4 O PHE A 1 96.022 -1.705 24.552 1.00 0.00 O ATOM 5 CB PHE A 1 96.369 -4.275 25.257 1.00 0.00 C ATOM 6 CG PHE A 1 96.361 -5.781 25.379 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.880 -6.381 26.545 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.837 -6.575 24.327 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.873 -7.773 26.662 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.830 -7.971 24.445 1.00 0.00 C ATOM 11 CZ PHE A 1 96.348 -8.570 25.613 1.00 0.00 C ATOM 0 H1 PHE A 1 94.579 -5.522 24.077 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.205 -4.546 24.289 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.390 -4.109 23.154 1.00 0.00 H new ATOM 0 HA PHE A 1 94.429 -3.872 26.088 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.951 -3.974 24.386 1.00 0.00 H new ATOM 0 HB3 PHE A 1 96.849 -3.832 26.130 1.00 0.00 H new ATOM 0 HD1 PHE A 1 95.514 -5.769 27.356 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.209 -6.111 23.426 1.00 0.00 H new ATOM 0 HE1 PHE A 1 95.500 -8.236 27.564 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.196 -8.584 23.635 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.342 -9.646 25.706 1.00 0.00 H new ATOM 23 N LEU A 2 93.830 -1.717 24.541 1.00 0.00 N ATOM 24 CA LEU A 2 93.759 -0.289 24.120 1.00 0.00 C ATOM 25 C LEU A 2 93.571 0.617 25.329 1.00 0.00 C ATOM 26 O LEU A 2 92.891 0.283 26.272 1.00 0.00 O ATOM 27 CB LEU A 2 92.584 -0.101 23.156 1.00 0.00 C ATOM 28 CG LEU A 2 92.775 -0.986 21.915 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.505 -0.933 21.060 1.00 0.00 C ATOM 30 CD2 LEU A 2 93.973 -0.488 21.083 1.00 0.00 C ATOM 0 H LEU A 2 92.926 -2.172 24.670 1.00 0.00 H new ATOM 0 HA LEU A 2 94.693 -0.023 23.625 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.649 -0.357 23.655 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.511 0.945 22.859 1.00 0.00 H new ATOM 0 HG LEU A 2 92.968 -2.010 22.233 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.634 -1.559 20.177 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.659 -1.297 21.643 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.317 0.095 20.751 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.097 -1.124 20.207 1.00 0.00 H new ATOM 0 HD22 LEU A 2 93.793 0.538 20.764 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.878 -0.526 21.689 1.00 0.00 H new ATOM 42 N ASP A 3 94.163 1.777 25.292 1.00 0.00 N ATOM 43 CA ASP A 3 94.008 2.727 26.421 1.00 0.00 C ATOM 44 C ASP A 3 92.525 3.042 26.562 1.00 0.00 C ATOM 45 O ASP A 3 91.995 3.125 27.650 1.00 0.00 O ATOM 46 CB ASP A 3 94.780 4.014 26.123 1.00 0.00 C ATOM 47 CG ASP A 3 96.284 3.738 26.179 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.669 2.784 26.835 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.026 4.485 25.562 1.00 0.00 O ATOM 0 H ASP A 3 94.749 2.107 24.525 1.00 0.00 H new ATOM 0 HA ASP A 3 94.397 2.292 27.342 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.507 4.394 25.139 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.515 4.785 26.847 1.00 0.00 H new ATOM 54 N GLY A 4 91.847 3.200 25.453 1.00 0.00 N ATOM 55 CA GLY A 4 90.386 3.488 25.497 1.00 0.00 C ATOM 56 C GLY A 4 89.723 2.545 26.502 1.00 0.00 C ATOM 57 O GLY A 4 88.642 2.801 26.993 1.00 0.00 O ATOM 0 H GLY A 4 92.247 3.141 24.516 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.215 4.525 25.785 1.00 0.00 H new ATOM 0 HA3 GLY A 4 89.946 3.355 24.509 1.00 0.00 H new ATOM 61 N ILE A 5 90.378 1.459 26.824 1.00 0.00 N ATOM 62 CA ILE A 5 89.799 0.512 27.813 1.00 0.00 C ATOM 63 C ILE A 5 89.609 1.254 29.136 1.00 0.00 C ATOM 64 O ILE A 5 88.610 1.104 29.809 1.00 0.00 O ATOM 65 CB ILE A 5 90.751 -0.675 28.004 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.753 -1.534 26.738 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.291 -1.523 29.197 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.899 -2.545 26.813 1.00 0.00 C ATOM 0 H ILE A 5 91.286 1.191 26.444 1.00 0.00 H new ATOM 0 HA ILE A 5 88.839 0.135 27.461 1.00 0.00 H new ATOM 0 HB ILE A 5 91.757 -0.303 28.195 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.800 -2.054 26.636 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.867 -0.903 25.857 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.971 -2.365 29.328 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.292 -0.912 30.100 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.284 -1.895 29.012 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.903 -3.158 25.912 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.848 -2.014 26.895 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.764 -3.184 27.686 1.00 0.00 H new ATOM 80 N ASP A 6 90.556 2.072 29.499 1.00 0.00 N ATOM 81 CA ASP A 6 90.432 2.848 30.761 1.00 0.00 C ATOM 82 C ASP A 6 89.182 3.725 30.666 1.00 0.00 C ATOM 83 O ASP A 6 88.441 3.882 31.617 1.00 0.00 O ATOM 84 CB ASP A 6 91.677 3.722 30.941 1.00 0.00 C ATOM 85 CG ASP A 6 91.569 4.528 32.239 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.458 4.769 32.679 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.606 4.886 32.773 1.00 0.00 O ATOM 0 H ASP A 6 91.414 2.237 28.973 1.00 0.00 H new ATOM 0 HA ASP A 6 90.347 2.178 31.616 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.570 3.097 30.965 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.783 4.397 30.092 1.00 0.00 H new ATOM 92 N LYS A 7 88.947 4.295 29.516 1.00 0.00 N ATOM 93 CA LYS A 7 87.749 5.161 29.333 1.00 0.00 C ATOM 94 C LYS A 7 86.488 4.309 29.479 1.00 0.00 C ATOM 95 O LYS A 7 85.503 4.732 30.053 1.00 0.00 O ATOM 96 CB LYS A 7 87.788 5.797 27.940 1.00 0.00 C ATOM 97 CG LYS A 7 86.606 6.753 27.788 1.00 0.00 C ATOM 98 CD LYS A 7 86.674 7.437 26.422 1.00 0.00 C ATOM 99 CE LYS A 7 85.530 8.446 26.300 1.00 0.00 C ATOM 100 NZ LYS A 7 85.802 9.613 27.188 1.00 0.00 N ATOM 0 H LYS A 7 89.538 4.197 28.690 1.00 0.00 H new ATOM 0 HA LYS A 7 87.744 5.949 30.086 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.726 6.335 27.799 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.746 5.023 27.173 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.668 6.207 27.886 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.625 7.500 28.582 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.633 7.942 26.303 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.604 6.694 25.627 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.431 8.777 25.266 1.00 0.00 H new ATOM 0 HE3 LYS A 7 84.586 7.977 26.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 85.213 10.418 26.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.577 9.361 28.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.806 9.876 27.119 1.00 0.00 H new ATOM 114 N ALA A 8 86.509 3.114 28.961 1.00 0.00 N ATOM 115 CA ALA A 8 85.314 2.230 29.061 1.00 0.00 C ATOM 116 C ALA A 8 84.973 1.982 30.534 1.00 0.00 C ATOM 117 O ALA A 8 83.819 1.909 30.906 1.00 0.00 O ATOM 118 CB ALA A 8 85.613 0.894 28.376 1.00 0.00 C ATOM 0 H ALA A 8 87.306 2.709 28.470 1.00 0.00 H new ATOM 0 HA ALA A 8 84.467 2.712 28.573 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.740 0.245 28.448 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.850 1.068 27.327 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.462 0.416 28.865 1.00 0.00 H new ATOM 124 N GLN A 9 85.962 1.839 31.375 1.00 0.00 N ATOM 125 CA GLN A 9 85.680 1.585 32.819 1.00 0.00 C ATOM 126 C GLN A 9 84.869 2.746 33.403 1.00 0.00 C ATOM 127 O GLN A 9 83.927 2.548 34.145 1.00 0.00 O ATOM 128 CB GLN A 9 87.002 1.471 33.578 1.00 0.00 C ATOM 129 CG GLN A 9 87.715 0.177 33.186 1.00 0.00 C ATOM 130 CD GLN A 9 89.119 0.169 33.790 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.761 1.195 33.878 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.625 -0.955 34.217 1.00 0.00 N ATOM 0 H GLN A 9 86.950 1.887 31.126 1.00 0.00 H new ATOM 0 HA GLN A 9 85.112 0.660 32.916 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.636 2.329 33.353 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.817 1.484 34.652 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.150 -0.685 33.541 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.773 0.095 32.101 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.086 -1.818 34.143 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.560 -0.971 34.625 1.00 0.00 H new ATOM 141 N GLU A 10 85.231 3.955 33.080 1.00 0.00 N ATOM 142 CA GLU A 10 84.483 5.128 33.620 1.00 0.00 C ATOM 143 C GLU A 10 83.019 5.070 33.185 1.00 0.00 C ATOM 144 O GLU A 10 82.124 5.400 33.937 1.00 0.00 O ATOM 145 CB GLU A 10 85.112 6.425 33.104 1.00 0.00 C ATOM 146 CG GLU A 10 86.473 6.634 33.771 1.00 0.00 C ATOM 147 CD GLU A 10 87.060 7.973 33.317 1.00 0.00 C ATOM 148 OE1 GLU A 10 87.696 7.997 32.277 1.00 0.00 O ATOM 149 OE2 GLU A 10 86.859 8.953 34.018 1.00 0.00 O ATOM 0 H GLU A 10 86.012 4.184 32.466 1.00 0.00 H new ATOM 0 HA GLU A 10 84.534 5.102 34.709 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.229 6.379 32.021 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.457 7.269 33.318 1.00 0.00 H new ATOM 0 HG2 GLU A 10 86.365 6.620 34.856 1.00 0.00 H new ATOM 0 HG3 GLU A 10 87.148 5.820 33.508 1.00 0.00 H new ATOM 156 N GLU A 11 82.769 4.677 31.964 1.00 0.00 N ATOM 157 CA GLU A 11 81.360 4.626 31.457 1.00 0.00 C ATOM 158 C GLU A 11 80.788 3.214 31.602 1.00 0.00 C ATOM 159 O GLU A 11 79.741 2.905 31.067 1.00 0.00 O ATOM 160 CB GLU A 11 81.352 5.029 29.983 1.00 0.00 C ATOM 161 CG GLU A 11 81.777 6.492 29.856 1.00 0.00 C ATOM 162 CD GLU A 11 81.770 6.901 28.383 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.562 6.034 27.549 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.972 8.073 28.113 1.00 0.00 O ATOM 0 H GLU A 11 83.480 4.388 31.292 1.00 0.00 H new ATOM 0 HA GLU A 11 80.744 5.311 32.040 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.030 4.391 29.416 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.356 4.890 29.562 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.099 7.129 30.424 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.773 6.630 30.278 1.00 0.00 H new ATOM 171 N CYS A 12 81.458 2.354 32.318 1.00 0.00 N ATOM 172 CA CYS A 12 80.935 0.967 32.487 1.00 0.00 C ATOM 173 C CYS A 12 79.465 1.025 32.916 1.00 0.00 C ATOM 174 O CYS A 12 78.645 0.247 32.468 1.00 0.00 O ATOM 175 CB CYS A 12 81.747 0.239 33.562 1.00 0.00 C ATOM 176 SG CYS A 12 81.186 -1.477 33.681 1.00 0.00 S ATOM 0 H CYS A 12 82.340 2.549 32.791 1.00 0.00 H new ATOM 0 HA CYS A 12 81.020 0.431 31.542 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.808 0.270 33.315 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.629 0.739 34.523 1.00 0.00 H new ATOM 181 N GLU A 13 79.128 1.944 33.779 1.00 0.00 N ATOM 182 CA GLU A 13 77.715 2.060 34.243 1.00 0.00 C ATOM 183 C GLU A 13 76.796 2.337 33.051 1.00 0.00 C ATOM 184 O GLU A 13 75.695 1.830 32.973 1.00 0.00 O ATOM 185 CB GLU A 13 77.594 3.208 35.249 1.00 0.00 C ATOM 186 CG GLU A 13 78.298 2.828 36.551 1.00 0.00 C ATOM 187 CD GLU A 13 78.172 3.979 37.551 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.713 5.038 37.151 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.531 3.782 38.700 1.00 0.00 O ATOM 0 H GLU A 13 79.773 2.622 34.185 1.00 0.00 H new ATOM 0 HA GLU A 13 77.421 1.124 34.718 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.037 4.114 34.836 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.544 3.426 35.442 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.856 1.922 36.965 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.349 2.611 36.359 1.00 0.00 H new ATOM 196 N LYS A 14 77.231 3.151 32.129 1.00 0.00 N ATOM 197 CA LYS A 14 76.372 3.477 30.954 1.00 0.00 C ATOM 198 C LYS A 14 76.042 2.199 30.178 1.00 0.00 C ATOM 199 O LYS A 14 74.935 2.023 29.709 1.00 0.00 O ATOM 200 CB LYS A 14 77.109 4.465 30.041 1.00 0.00 C ATOM 201 CG LYS A 14 76.226 4.826 28.839 1.00 0.00 C ATOM 202 CD LYS A 14 76.965 5.816 27.938 1.00 0.00 C ATOM 203 CE LYS A 14 76.083 6.171 26.740 1.00 0.00 C ATOM 204 NZ LYS A 14 74.837 6.835 27.216 1.00 0.00 N ATOM 0 H LYS A 14 78.144 3.605 32.138 1.00 0.00 H new ATOM 0 HA LYS A 14 75.443 3.929 31.301 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.366 5.366 30.598 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.045 4.026 29.696 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.973 3.927 28.278 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.288 5.262 29.182 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.216 6.717 28.498 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.904 5.382 27.596 1.00 0.00 H new ATOM 0 HE2 LYS A 14 76.623 6.832 26.061 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.835 5.270 26.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 74.408 7.369 26.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 74.166 6.115 27.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 75.066 7.485 27.995 1.00 0.00 H new ATOM 218 N TYR A 15 76.985 1.307 30.028 1.00 0.00 N ATOM 219 CA TYR A 15 76.701 0.050 29.271 1.00 0.00 C ATOM 220 C TYR A 15 76.102 -0.991 30.217 1.00 0.00 C ATOM 221 O TYR A 15 75.497 -1.954 29.789 1.00 0.00 O ATOM 222 CB TYR A 15 78.000 -0.488 28.671 1.00 0.00 C ATOM 223 CG TYR A 15 78.497 0.473 27.617 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.919 0.467 26.343 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.527 1.374 27.915 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.370 1.360 25.365 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.978 2.269 26.936 1.00 0.00 C ATOM 228 CZ TYR A 15 79.399 2.261 25.661 1.00 0.00 C ATOM 229 OH TYR A 15 79.844 3.142 24.697 1.00 0.00 O ATOM 0 H TYR A 15 77.933 1.392 30.393 1.00 0.00 H new ATOM 0 HA TYR A 15 75.992 0.260 28.470 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.751 -0.611 29.451 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.832 -1.472 28.233 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.124 -0.227 26.114 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.973 1.379 28.899 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.924 1.354 24.381 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.772 2.965 27.165 1.00 0.00 H new ATOM 0 HH TYR A 15 79.654 2.777 23.808 1.00 0.00 H new ATOM 239 N HIS A 16 76.256 -0.798 31.498 1.00 0.00 N ATOM 240 CA HIS A 16 75.682 -1.763 32.481 1.00 0.00 C ATOM 241 C HIS A 16 76.251 -3.163 32.238 1.00 0.00 C ATOM 242 O HIS A 16 77.431 -3.335 32.006 1.00 0.00 O ATOM 243 CB HIS A 16 74.157 -1.790 32.338 1.00 0.00 C ATOM 244 CG HIS A 16 73.639 -0.379 32.283 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.345 0.255 31.083 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.367 0.538 33.268 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.919 1.498 31.375 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.914 1.717 32.692 1.00 0.00 N ATOM 0 H HIS A 16 76.757 -0.010 31.909 1.00 0.00 H new ATOM 0 HA HIS A 16 75.947 -1.447 33.490 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.874 -2.329 31.434 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.711 -2.321 33.179 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.487 0.368 34.328 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.619 2.227 30.637 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.636 2.572 33.174 1.00 0.00 H new ATOM 257 N SER A 17 75.418 -4.168 32.301 1.00 0.00 N ATOM 258 CA SER A 17 75.900 -5.563 32.086 1.00 0.00 C ATOM 259 C SER A 17 75.951 -5.875 30.589 1.00 0.00 C ATOM 260 O SER A 17 76.363 -6.945 30.185 1.00 0.00 O ATOM 261 CB SER A 17 74.949 -6.541 32.777 1.00 0.00 C ATOM 262 OG SER A 17 75.022 -6.350 34.183 1.00 0.00 O ATOM 0 H SER A 17 74.420 -4.082 32.493 1.00 0.00 H new ATOM 0 HA SER A 17 76.901 -5.664 32.506 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.928 -6.382 32.429 1.00 0.00 H new ATOM 0 HB3 SER A 17 75.216 -7.567 32.523 1.00 0.00 H new ATOM 0 HG SER A 17 74.413 -6.974 34.630 1.00 0.00 H new ATOM 268 N ASN A 18 75.532 -4.960 29.757 1.00 0.00 N ATOM 269 CA ASN A 18 75.559 -5.228 28.291 1.00 0.00 C ATOM 270 C ASN A 18 76.969 -4.972 27.751 1.00 0.00 C ATOM 271 O ASN A 18 77.230 -3.963 27.126 1.00 0.00 O ATOM 272 CB ASN A 18 74.572 -4.296 27.581 1.00 0.00 C ATOM 273 CG ASN A 18 73.142 -4.792 27.803 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.930 -5.831 28.397 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.147 -4.090 27.338 1.00 0.00 N ATOM 0 H ASN A 18 75.174 -4.044 30.027 1.00 0.00 H new ATOM 0 HA ASN A 18 75.278 -6.265 28.109 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.678 -3.280 27.962 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.793 -4.261 26.514 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.189 -4.412 27.472 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.327 -3.218 26.840 1.00 0.00 H new ATOM 282 N TRP A 19 77.879 -5.881 27.980 1.00 0.00 N ATOM 283 CA TRP A 19 79.263 -5.684 27.468 1.00 0.00 C ATOM 284 C TRP A 19 79.279 -5.875 25.950 1.00 0.00 C ATOM 285 O TRP A 19 80.206 -5.475 25.274 1.00 0.00 O ATOM 286 CB TRP A 19 80.217 -6.683 28.134 1.00 0.00 C ATOM 287 CG TRP A 19 79.794 -8.092 27.846 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.941 -8.813 28.608 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.200 -8.968 26.749 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.792 -10.071 28.051 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.547 -10.216 26.906 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.058 -8.805 25.646 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.740 -11.263 26.002 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.252 -9.857 24.734 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.595 -11.083 24.912 1.00 0.00 C ATOM 0 H TRP A 19 77.724 -6.747 28.497 1.00 0.00 H new ATOM 0 HA TRP A 19 79.594 -4.673 27.706 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.232 -6.521 27.771 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.233 -6.516 29.211 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.454 -8.463 29.507 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.196 -10.802 28.440 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.571 -7.866 25.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.232 -12.205 26.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.912 -9.720 23.890 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.750 -11.887 24.208 1.00 0.00 H new ATOM 306 N ARG A 20 78.260 -6.487 25.410 1.00 0.00 N ATOM 307 CA ARG A 20 78.220 -6.703 23.936 1.00 0.00 C ATOM 308 C ARG A 20 78.262 -5.350 23.232 1.00 0.00 C ATOM 309 O ARG A 20 79.036 -5.131 22.321 1.00 0.00 O ATOM 310 CB ARG A 20 76.920 -7.419 23.550 1.00 0.00 C ATOM 311 CG ARG A 20 76.689 -8.641 24.447 1.00 0.00 C ATOM 312 CD ARG A 20 77.777 -9.693 24.217 1.00 0.00 C ATOM 313 NE ARG A 20 77.983 -9.936 22.750 1.00 0.00 N ATOM 314 CZ ARG A 20 77.004 -10.301 21.964 1.00 0.00 C ATOM 315 NH1 ARG A 20 75.836 -10.617 22.452 1.00 0.00 N ATOM 316 NH2 ARG A 20 77.215 -10.406 20.680 1.00 0.00 N ATOM 0 H ARG A 20 77.456 -6.846 25.925 1.00 0.00 H new ATOM 0 HA ARG A 20 79.074 -7.311 23.639 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.079 -6.731 23.640 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.966 -7.731 22.507 1.00 0.00 H new ATOM 0 HG2 ARG A 20 76.687 -8.335 25.493 1.00 0.00 H new ATOM 0 HG3 ARG A 20 75.710 -9.072 24.239 1.00 0.00 H new ATOM 0 HD2 ARG A 20 78.711 -9.361 24.670 1.00 0.00 H new ATOM 0 HD3 ARG A 20 77.498 -10.625 24.709 1.00 0.00 H new ATOM 0 HE ARG A 20 78.915 -9.813 22.354 1.00 0.00 H new ATOM 0 HH11 ARG A 20 75.677 -10.581 23.459 1.00 0.00 H new ATOM 0 HH12 ARG A 20 75.082 -10.900 21.827 1.00 0.00 H new ATOM 0 HH21 ARG A 20 78.138 -10.204 20.297 1.00 0.00 H new ATOM 0 HH22 ARG A 20 76.456 -10.690 20.060 1.00 0.00 H new ATOM 330 N ALA A 21 77.423 -4.444 23.646 1.00 0.00 N ATOM 331 CA ALA A 21 77.395 -3.101 23.004 1.00 0.00 C ATOM 332 C ALA A 21 78.732 -2.399 23.244 1.00 0.00 C ATOM 333 O ALA A 21 79.284 -1.774 22.359 1.00 0.00 O ATOM 334 CB ALA A 21 76.260 -2.274 23.616 1.00 0.00 C ATOM 0 H ALA A 21 76.753 -4.576 24.404 1.00 0.00 H new ATOM 0 HA ALA A 21 77.230 -3.206 21.932 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.235 -1.289 23.149 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.309 -2.780 23.447 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.427 -2.164 24.687 1.00 0.00 H new ATOM 340 N MET A 22 79.264 -2.506 24.430 1.00 0.00 N ATOM 341 CA MET A 22 80.571 -1.855 24.720 1.00 0.00 C ATOM 342 C MET A 22 81.646 -2.448 23.805 1.00 0.00 C ATOM 343 O MET A 22 82.423 -1.738 23.203 1.00 0.00 O ATOM 344 CB MET A 22 80.946 -2.105 26.182 1.00 0.00 C ATOM 345 CG MET A 22 82.254 -1.384 26.509 1.00 0.00 C ATOM 346 SD MET A 22 82.559 -1.469 28.293 1.00 0.00 S ATOM 347 CE MET A 22 82.636 -3.271 28.431 1.00 0.00 C ATOM 0 H MET A 22 78.850 -3.016 25.210 1.00 0.00 H new ATOM 0 HA MET A 22 80.496 -0.782 24.543 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.150 -1.750 26.837 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.054 -3.175 26.362 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.080 -1.842 25.966 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.199 -0.344 26.188 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.202 -3.544 29.321 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.626 -3.674 28.506 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.126 -3.683 27.549 1.00 0.00 H new ATOM 357 N ALA A 23 81.694 -3.746 23.691 1.00 0.00 N ATOM 358 CA ALA A 23 82.721 -4.378 22.815 1.00 0.00 C ATOM 359 C ALA A 23 82.555 -3.872 21.380 1.00 0.00 C ATOM 360 O ALA A 23 83.520 -3.620 20.686 1.00 0.00 O ATOM 361 CB ALA A 23 82.544 -5.897 22.846 1.00 0.00 C ATOM 0 H ALA A 23 81.068 -4.396 24.166 1.00 0.00 H new ATOM 0 HA ALA A 23 83.717 -4.118 23.174 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.293 -6.364 22.207 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.664 -6.257 23.868 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.548 -6.155 22.486 1.00 0.00 H new ATOM 367 N SER A 24 81.340 -3.729 20.928 1.00 0.00 N ATOM 368 CA SER A 24 81.108 -3.249 19.535 1.00 0.00 C ATOM 369 C SER A 24 81.573 -1.796 19.393 1.00 0.00 C ATOM 370 O SER A 24 82.114 -1.405 18.377 1.00 0.00 O ATOM 371 CB SER A 24 79.620 -3.344 19.204 1.00 0.00 C ATOM 372 OG SER A 24 79.417 -2.973 17.847 1.00 0.00 O ATOM 0 H SER A 24 80.495 -3.924 21.464 1.00 0.00 H new ATOM 0 HA SER A 24 81.677 -3.872 18.845 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.262 -4.360 19.373 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.047 -2.690 19.862 1.00 0.00 H new ATOM 0 HG SER A 24 78.463 -3.034 17.630 1.00 0.00 H new ATOM 378 N ASP A 25 81.366 -0.992 20.397 1.00 0.00 N ATOM 379 CA ASP A 25 81.795 0.434 20.304 1.00 0.00 C ATOM 380 C ASP A 25 83.320 0.512 20.309 1.00 0.00 C ATOM 381 O ASP A 25 83.911 1.286 19.582 1.00 0.00 O ATOM 382 CB ASP A 25 81.240 1.214 21.497 1.00 0.00 C ATOM 383 CG ASP A 25 79.729 1.391 21.334 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.273 1.411 20.203 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.055 1.511 22.343 1.00 0.00 O ATOM 0 H ASP A 25 80.920 -1.257 21.275 1.00 0.00 H new ATOM 0 HA ASP A 25 81.414 0.866 19.379 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.457 0.683 22.424 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.725 2.188 21.566 1.00 0.00 H new ATOM 390 N PHE A 26 83.965 -0.290 21.112 1.00 0.00 N ATOM 391 CA PHE A 26 85.460 -0.272 21.153 1.00 0.00 C ATOM 392 C PHE A 26 86.010 -1.361 20.224 1.00 0.00 C ATOM 393 O PHE A 26 87.206 -1.526 20.085 1.00 0.00 O ATOM 394 CB PHE A 26 85.944 -0.519 22.586 1.00 0.00 C ATOM 395 CG PHE A 26 85.640 0.689 23.446 1.00 0.00 C ATOM 396 CD1 PHE A 26 86.577 1.725 23.553 1.00 0.00 C ATOM 397 CD2 PHE A 26 84.424 0.777 24.137 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.299 2.843 24.347 1.00 0.00 C ATOM 399 CE2 PHE A 26 84.147 1.894 24.931 1.00 0.00 C ATOM 400 CZ PHE A 26 85.084 2.928 25.036 1.00 0.00 C ATOM 0 H PHE A 26 83.523 -0.958 21.743 1.00 0.00 H new ATOM 0 HA PHE A 26 85.818 0.702 20.820 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.455 -1.402 22.998 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.016 -0.718 22.588 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.515 1.661 23.022 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.699 -0.020 24.056 1.00 0.00 H new ATOM 0 HE1 PHE A 26 87.022 3.641 24.428 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.210 1.959 25.463 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.870 3.791 25.649 1.00 0.00 H new ATOM 410 N ASN A 27 85.143 -2.098 19.577 1.00 0.00 N ATOM 411 CA ASN A 27 85.610 -3.167 18.644 1.00 0.00 C ATOM 412 C ASN A 27 86.632 -4.064 19.341 1.00 0.00 C ATOM 413 O ASN A 27 87.689 -4.332 18.809 1.00 0.00 O ATOM 414 CB ASN A 27 86.265 -2.530 17.416 1.00 0.00 C ATOM 415 CG ASN A 27 85.246 -1.657 16.682 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.043 -2.116 16.468 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.549 -0.545 16.296 1.00 0.00 N flip ATOM 0 H ASN A 27 84.130 -2.005 19.655 1.00 0.00 H new ATOM 0 HA ASN A 27 84.751 -3.764 18.339 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.122 -1.928 17.720 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.641 -3.306 16.749 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.489 -0.186 16.463 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.863 0.029 15.805 1.00 0.00 H new ATOM 424 N LEU A 28 86.327 -4.531 20.528 1.00 0.00 N ATOM 425 CA LEU A 28 87.282 -5.420 21.268 1.00 0.00 C ATOM 426 C LEU A 28 86.657 -6.809 21.439 1.00 0.00 C ATOM 427 O LEU A 28 85.452 -6.943 21.506 1.00 0.00 O ATOM 428 CB LEU A 28 87.545 -4.826 22.662 1.00 0.00 C ATOM 429 CG LEU A 28 88.576 -3.683 22.570 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.457 -2.777 23.803 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.007 -4.258 22.512 1.00 0.00 C ATOM 0 H LEU A 28 85.455 -4.335 21.019 1.00 0.00 H new ATOM 0 HA LEU A 28 88.214 -5.498 20.708 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.614 -4.452 23.087 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.912 -5.603 23.333 1.00 0.00 H new ATOM 0 HG LEU A 28 88.377 -3.109 21.665 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.187 -1.971 23.734 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.453 -2.355 23.849 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.646 -3.361 24.704 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.725 -3.441 22.447 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.201 -4.841 23.412 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.106 -4.899 21.636 1.00 0.00 H new ATOM 443 N PRO A 29 87.469 -7.837 21.535 1.00 0.00 N ATOM 444 CA PRO A 29 86.969 -9.224 21.736 1.00 0.00 C ATOM 445 C PRO A 29 86.384 -9.387 23.145 1.00 0.00 C ATOM 446 O PRO A 29 86.672 -8.607 24.031 1.00 0.00 O ATOM 447 CB PRO A 29 88.218 -10.100 21.546 1.00 0.00 C ATOM 448 CG PRO A 29 89.370 -9.204 21.877 1.00 0.00 C ATOM 449 CD PRO A 29 88.942 -7.795 21.463 1.00 0.00 C ATOM 0 HA PRO A 29 86.168 -9.491 21.047 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.193 -10.971 22.201 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.288 -10.472 20.524 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.602 -9.244 22.941 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.269 -9.511 21.343 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.353 -7.039 22.132 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.286 -7.552 20.458 1.00 0.00 H new ATOM 457 N PRO A 30 85.566 -10.381 23.352 1.00 0.00 N ATOM 458 CA PRO A 30 84.930 -10.630 24.678 1.00 0.00 C ATOM 459 C PRO A 30 85.978 -10.728 25.797 1.00 0.00 C ATOM 460 O PRO A 30 85.677 -10.557 26.960 1.00 0.00 O ATOM 461 CB PRO A 30 84.177 -11.968 24.492 1.00 0.00 C ATOM 462 CG PRO A 30 84.710 -12.558 23.217 1.00 0.00 C ATOM 463 CD PRO A 30 85.159 -11.380 22.358 1.00 0.00 C ATOM 0 HA PRO A 30 84.267 -9.818 24.977 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.351 -12.636 25.336 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.101 -11.807 24.429 1.00 0.00 H new ATOM 0 HG2 PRO A 30 85.542 -13.233 23.418 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.943 -13.141 22.708 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.983 -11.652 21.699 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.352 -11.013 21.724 1.00 0.00 H new ATOM 471 N VAL A 31 87.205 -11.006 25.454 1.00 0.00 N ATOM 472 CA VAL A 31 88.260 -11.121 26.500 1.00 0.00 C ATOM 473 C VAL A 31 88.390 -9.801 27.265 1.00 0.00 C ATOM 474 O VAL A 31 88.298 -9.761 28.476 1.00 0.00 O ATOM 475 CB VAL A 31 89.596 -11.445 25.820 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.754 -11.317 26.823 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.552 -12.874 25.273 1.00 0.00 C ATOM 0 H VAL A 31 87.523 -11.158 24.497 1.00 0.00 H new ATOM 0 HA VAL A 31 87.991 -11.911 27.201 1.00 0.00 H new ATOM 0 HB VAL A 31 89.758 -10.740 25.005 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.695 -11.550 26.324 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.791 -10.298 27.208 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.599 -12.012 27.648 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.500 -13.108 24.789 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.381 -13.572 26.092 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.743 -12.961 24.548 1.00 0.00 H new ATOM 487 N VAL A 32 88.616 -8.723 26.568 1.00 0.00 N ATOM 488 CA VAL A 32 88.769 -7.411 27.255 1.00 0.00 C ATOM 489 C VAL A 32 87.415 -6.919 27.774 1.00 0.00 C ATOM 490 O VAL A 32 87.313 -6.401 28.867 1.00 0.00 O ATOM 491 CB VAL A 32 89.349 -6.395 26.267 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.323 -4.988 26.882 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.790 -6.788 25.942 1.00 0.00 C ATOM 0 H VAL A 32 88.701 -8.694 25.552 1.00 0.00 H new ATOM 0 HA VAL A 32 89.442 -7.526 28.105 1.00 0.00 H new ATOM 0 HB VAL A 32 88.751 -6.390 25.356 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.738 -4.273 26.172 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.295 -4.712 27.116 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.918 -4.979 27.795 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.213 -6.071 25.239 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.382 -6.791 26.857 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.804 -7.783 25.498 1.00 0.00 H new ATOM 503 N ALA A 33 86.379 -7.061 26.996 1.00 0.00 N ATOM 504 CA ALA A 33 85.042 -6.581 27.447 1.00 0.00 C ATOM 505 C ALA A 33 84.638 -7.311 28.730 1.00 0.00 C ATOM 506 O ALA A 33 84.281 -6.699 29.717 1.00 0.00 O ATOM 507 CB ALA A 33 84.016 -6.849 26.347 1.00 0.00 C ATOM 0 H ALA A 33 86.399 -7.487 26.070 1.00 0.00 H new ATOM 0 HA ALA A 33 85.084 -5.511 27.649 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.036 -6.500 26.671 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.308 -6.320 25.440 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.971 -7.919 26.144 1.00 0.00 H new ATOM 513 N LYS A 34 84.712 -8.610 28.731 1.00 0.00 N ATOM 514 CA LYS A 34 84.354 -9.375 29.958 1.00 0.00 C ATOM 515 C LYS A 34 85.271 -8.951 31.104 1.00 0.00 C ATOM 516 O LYS A 34 84.852 -8.817 32.236 1.00 0.00 O ATOM 517 CB LYS A 34 84.519 -10.872 29.698 1.00 0.00 C ATOM 518 CG LYS A 34 83.432 -11.351 28.732 1.00 0.00 C ATOM 519 CD LYS A 34 83.600 -12.850 28.475 1.00 0.00 C ATOM 520 CE LYS A 34 82.513 -13.329 27.513 1.00 0.00 C ATOM 521 NZ LYS A 34 82.861 -14.687 27.012 1.00 0.00 N ATOM 0 H LYS A 34 85.005 -9.177 27.935 1.00 0.00 H new ATOM 0 HA LYS A 34 83.317 -9.169 30.224 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.505 -11.072 29.279 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.454 -11.423 30.636 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.445 -11.152 29.150 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.497 -10.801 27.793 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.586 -13.049 28.055 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.537 -13.400 29.414 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.548 -13.352 28.019 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.418 -12.634 26.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.123 -15.015 26.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.774 -14.650 26.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.930 -15.346 27.814 1.00 0.00 H new ATOM 535 N GLU A 35 86.525 -8.751 30.815 1.00 0.00 N ATOM 536 CA GLU A 35 87.487 -8.350 31.878 1.00 0.00 C ATOM 537 C GLU A 35 87.062 -7.014 32.498 1.00 0.00 C ATOM 538 O GLU A 35 87.143 -6.827 33.696 1.00 0.00 O ATOM 539 CB GLU A 35 88.877 -8.198 31.259 1.00 0.00 C ATOM 540 CG GLU A 35 89.923 -8.002 32.359 1.00 0.00 C ATOM 541 CD GLU A 35 89.864 -6.567 32.896 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.350 -5.710 32.197 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.335 -6.351 34.001 1.00 0.00 O ATOM 0 H GLU A 35 86.928 -8.849 29.883 1.00 0.00 H new ATOM 0 HA GLU A 35 87.503 -9.114 32.656 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.120 -9.082 30.669 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.890 -7.347 30.578 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.746 -8.709 33.170 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.918 -8.210 31.966 1.00 0.00 H new ATOM 550 N ILE A 36 86.609 -6.085 31.701 1.00 0.00 N ATOM 551 CA ILE A 36 86.182 -4.773 32.267 1.00 0.00 C ATOM 552 C ILE A 36 85.047 -5.021 33.262 1.00 0.00 C ATOM 553 O ILE A 36 85.032 -4.487 34.353 1.00 0.00 O ATOM 554 CB ILE A 36 85.717 -3.868 31.127 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.931 -3.481 30.276 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.075 -2.600 31.694 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.469 -2.801 28.986 1.00 0.00 C ATOM 0 H ILE A 36 86.516 -6.176 30.689 1.00 0.00 H new ATOM 0 HA ILE A 36 87.008 -4.284 32.783 1.00 0.00 H new ATOM 0 HB ILE A 36 84.984 -4.398 30.519 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.581 -2.810 30.838 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.518 -4.369 30.039 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.747 -1.961 30.874 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.217 -2.871 32.310 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.804 -2.064 32.302 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.338 -2.529 28.387 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.838 -3.486 28.420 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.902 -1.903 29.231 1.00 0.00 H new ATOM 569 N VAL A 37 84.118 -5.864 32.907 1.00 0.00 N ATOM 570 CA VAL A 37 83.008 -6.197 33.841 1.00 0.00 C ATOM 571 C VAL A 37 83.605 -6.954 35.028 1.00 0.00 C ATOM 572 O VAL A 37 83.229 -6.757 36.167 1.00 0.00 O ATOM 573 CB VAL A 37 81.983 -7.080 33.117 1.00 0.00 C ATOM 574 CG1 VAL A 37 80.977 -7.645 34.127 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.240 -6.237 32.072 1.00 0.00 C ATOM 0 H VAL A 37 84.080 -6.339 32.005 1.00 0.00 H new ATOM 0 HA VAL A 37 82.508 -5.292 34.186 1.00 0.00 H new ATOM 0 HB VAL A 37 82.498 -7.906 32.626 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.252 -8.271 33.607 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.505 -8.242 34.871 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.458 -6.824 34.622 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.510 -6.860 31.554 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.727 -5.413 32.567 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.954 -5.839 31.351 1.00 0.00 H new ATOM 585 N ALA A 38 84.538 -7.824 34.755 1.00 0.00 N ATOM 586 CA ALA A 38 85.185 -8.617 35.839 1.00 0.00 C ATOM 587 C ALA A 38 85.845 -7.684 36.858 1.00 0.00 C ATOM 588 O ALA A 38 86.123 -8.074 37.974 1.00 0.00 O ATOM 589 CB ALA A 38 86.250 -9.525 35.231 1.00 0.00 C ATOM 0 H ALA A 38 84.884 -8.022 33.816 1.00 0.00 H new ATOM 0 HA ALA A 38 84.425 -9.214 36.342 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.726 -10.107 36.020 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.785 -10.200 34.512 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.001 -8.917 34.725 1.00 0.00 H new ATOM 595 N SER A 39 86.111 -6.457 36.488 1.00 0.00 N ATOM 596 CA SER A 39 86.766 -5.516 37.449 1.00 0.00 C ATOM 597 C SER A 39 85.693 -4.745 38.211 1.00 0.00 C ATOM 598 O SER A 39 85.782 -4.555 39.407 1.00 0.00 O ATOM 599 CB SER A 39 87.643 -4.530 36.677 1.00 0.00 C ATOM 600 OG SER A 39 88.543 -5.250 35.846 1.00 0.00 O ATOM 0 H SER A 39 85.905 -6.067 35.568 1.00 0.00 H new ATOM 0 HA SER A 39 87.381 -6.080 38.150 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.021 -3.870 36.072 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.198 -3.899 37.371 1.00 0.00 H new ATOM 0 HG SER A 39 88.049 -5.654 35.102 1.00 0.00 H new ATOM 606 N CYS A 40 84.670 -4.313 37.534 1.00 0.00 N ATOM 607 CA CYS A 40 83.586 -3.571 38.228 1.00 0.00 C ATOM 608 C CYS A 40 82.992 -4.473 39.314 1.00 0.00 C ATOM 609 O CYS A 40 82.660 -5.616 39.069 1.00 0.00 O ATOM 610 CB CYS A 40 82.509 -3.194 37.213 1.00 0.00 C ATOM 611 SG CYS A 40 81.383 -1.977 37.936 1.00 0.00 S ATOM 0 H CYS A 40 84.537 -4.441 36.531 1.00 0.00 H new ATOM 0 HA CYS A 40 83.978 -2.662 38.684 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.971 -2.786 36.314 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.954 -4.082 36.911 1.00 0.00 H new ATOM 616 N ASP A 41 82.872 -3.976 40.512 1.00 0.00 N ATOM 617 CA ASP A 41 82.318 -4.809 41.618 1.00 0.00 C ATOM 618 C ASP A 41 80.802 -4.953 41.482 1.00 0.00 C ATOM 619 O ASP A 41 80.237 -5.976 41.811 1.00 0.00 O ATOM 620 CB ASP A 41 82.640 -4.151 42.962 1.00 0.00 C ATOM 621 CG ASP A 41 84.140 -4.256 43.240 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.786 -5.065 42.596 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.615 -3.530 44.098 1.00 0.00 O ATOM 0 H ASP A 41 83.134 -3.026 40.775 1.00 0.00 H new ATOM 0 HA ASP A 41 82.771 -5.799 41.565 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.335 -3.105 42.948 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.078 -4.636 43.760 1.00 0.00 H new ATOM 628 N LYS A 42 80.133 -3.930 41.033 1.00 0.00 N ATOM 629 CA LYS A 42 78.648 -4.008 40.918 1.00 0.00 C ATOM 630 C LYS A 42 78.235 -4.951 39.783 1.00 0.00 C ATOM 631 O LYS A 42 77.321 -5.739 39.933 1.00 0.00 O ATOM 632 CB LYS A 42 78.101 -2.604 40.634 1.00 0.00 C ATOM 633 CG LYS A 42 78.342 -1.685 41.848 1.00 0.00 C ATOM 634 CD LYS A 42 77.207 -1.841 42.884 1.00 0.00 C ATOM 635 CE LYS A 42 76.069 -0.869 42.560 1.00 0.00 C ATOM 636 NZ LYS A 42 74.880 -1.199 43.394 1.00 0.00 N ATOM 0 H LYS A 42 80.547 -3.045 40.741 1.00 0.00 H new ATOM 0 HA LYS A 42 78.242 -4.396 41.852 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.587 -2.188 39.751 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.035 -2.658 40.415 1.00 0.00 H new ATOM 0 HG2 LYS A 42 79.299 -1.928 42.310 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.401 -0.647 41.519 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.835 -2.866 42.877 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.588 -1.647 43.886 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.387 0.156 42.751 1.00 0.00 H new ATOM 0 HE3 LYS A 42 75.813 -0.932 41.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 74.107 -0.539 43.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 74.573 -2.172 43.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 75.129 -1.117 44.401 1.00 0.00 H new ATOM 650 N CYS A 43 78.879 -4.880 38.649 1.00 0.00 N ATOM 651 CA CYS A 43 78.485 -5.780 37.526 1.00 0.00 C ATOM 652 C CYS A 43 79.084 -7.175 37.719 1.00 0.00 C ATOM 653 O CYS A 43 78.517 -8.161 37.292 1.00 0.00 O ATOM 654 CB CYS A 43 78.962 -5.198 36.195 1.00 0.00 C ATOM 655 SG CYS A 43 78.182 -3.586 35.927 1.00 0.00 S ATOM 0 H CYS A 43 79.653 -4.245 38.452 1.00 0.00 H new ATOM 0 HA CYS A 43 77.398 -5.861 37.517 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.047 -5.093 36.200 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.711 -5.876 35.379 1.00 0.00 H new ATOM 660 N GLN A 44 80.225 -7.278 38.345 1.00 0.00 N ATOM 661 CA GLN A 44 80.830 -8.628 38.531 1.00 0.00 C ATOM 662 C GLN A 44 80.053 -9.423 39.580 1.00 0.00 C ATOM 663 O GLN A 44 79.525 -10.481 39.303 1.00 0.00 O ATOM 664 CB GLN A 44 82.286 -8.501 38.977 1.00 0.00 C ATOM 665 CG GLN A 44 82.914 -9.896 38.993 1.00 0.00 C ATOM 666 CD GLN A 44 84.412 -9.789 39.268 1.00 0.00 C ATOM 667 OE1 GLN A 44 85.208 -10.423 38.602 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.831 -9.009 40.228 1.00 0.00 N ATOM 0 H GLN A 44 80.758 -6.498 38.731 1.00 0.00 H new ATOM 0 HA GLN A 44 80.787 -9.152 37.576 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.834 -7.847 38.299 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.340 -8.050 39.968 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.438 -10.510 39.758 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.746 -10.391 38.037 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.160 -8.479 40.784 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.829 -8.930 40.422 1.00 0.00 H new ATOM 677 N LEU A 45 79.979 -8.928 40.786 1.00 0.00 N ATOM 678 CA LEU A 45 79.240 -9.668 41.850 1.00 0.00 C ATOM 679 C LEU A 45 77.755 -9.312 41.781 1.00 0.00 C ATOM 680 O LEU A 45 77.382 -8.155 41.759 1.00 0.00 O ATOM 681 CB LEU A 45 79.782 -9.276 43.230 1.00 0.00 C ATOM 682 CG LEU A 45 81.278 -9.601 43.333 1.00 0.00 C ATOM 683 CD1 LEU A 45 81.804 -9.097 44.681 1.00 0.00 C ATOM 684 CD2 LEU A 45 81.505 -11.121 43.230 1.00 0.00 C ATOM 0 H LEU A 45 80.397 -8.045 41.080 1.00 0.00 H new ATOM 0 HA LEU A 45 79.373 -10.739 41.696 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.623 -8.211 43.401 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.234 -9.809 44.007 1.00 0.00 H new ATOM 0 HG LEU A 45 81.809 -9.112 42.516 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.867 -9.323 44.764 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.656 -8.019 44.749 1.00 0.00 H new ATOM 0 HD13 LEU A 45 81.264 -9.590 45.490 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.571 -11.336 43.305 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.976 -11.624 44.040 1.00 0.00 H new ATOM 0 HD23 LEU A 45 81.129 -11.481 42.272 1.00 0.00 H new ATOM 696 N LYS A 46 76.905 -10.299 41.755 1.00 0.00 N ATOM 697 CA LYS A 46 75.443 -10.025 41.696 1.00 0.00 C ATOM 698 C LYS A 46 74.947 -9.652 43.097 1.00 0.00 C ATOM 699 O LYS A 46 75.413 -10.180 44.087 1.00 0.00 O ATOM 700 CB LYS A 46 74.716 -11.276 41.195 1.00 0.00 C ATOM 701 CG LYS A 46 73.218 -10.989 41.068 1.00 0.00 C ATOM 702 CD LYS A 46 72.524 -12.206 40.456 1.00 0.00 C ATOM 703 CE LYS A 46 71.030 -11.920 40.300 1.00 0.00 C ATOM 704 NZ LYS A 46 70.840 -10.742 39.405 1.00 0.00 N ATOM 0 H LYS A 46 77.160 -11.286 41.772 1.00 0.00 H new ATOM 0 HA LYS A 46 75.243 -9.199 41.013 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.120 -11.581 40.230 1.00 0.00 H new ATOM 0 HB3 LYS A 46 74.880 -12.104 41.885 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.794 -10.767 42.047 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.055 -10.110 40.444 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.963 -12.438 39.486 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.673 -13.080 41.091 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.524 -12.791 39.885 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.582 -11.726 41.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 69.882 -10.765 39.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 70.964 -9.866 39.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 71.541 -10.772 38.638 1.00 0.00 H new ATOM 718 N GLY A 47 74.013 -8.744 43.193 1.00 0.00 N ATOM 719 CA GLY A 47 73.507 -8.343 44.538 1.00 0.00 C ATOM 720 C GLY A 47 73.044 -9.586 45.299 1.00 0.00 C ATOM 721 O GLY A 47 73.437 -9.819 46.426 1.00 0.00 O ATOM 0 H GLY A 47 73.580 -8.265 42.403 1.00 0.00 H new ATOM 0 HA2 GLY A 47 74.292 -7.833 45.096 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.681 -7.639 44.433 1.00 0.00 H new ATOM 725 N GLU A 48 72.221 -10.394 44.691 1.00 0.00 N ATOM 726 CA GLU A 48 71.742 -11.629 45.374 1.00 0.00 C ATOM 727 C GLU A 48 72.782 -12.734 45.180 1.00 0.00 C ATOM 728 O GLU A 48 73.415 -12.822 44.146 1.00 0.00 O ATOM 729 CB GLU A 48 70.410 -12.062 44.760 1.00 0.00 C ATOM 730 CG GLU A 48 69.335 -11.023 45.087 1.00 0.00 C ATOM 731 CD GLU A 48 68.013 -11.435 44.437 1.00 0.00 C ATOM 732 OE1 GLU A 48 67.393 -12.360 44.935 1.00 0.00 O ATOM 733 OE2 GLU A 48 67.644 -10.821 43.449 1.00 0.00 O ATOM 0 H GLU A 48 71.858 -10.252 43.748 1.00 0.00 H new ATOM 0 HA GLU A 48 71.602 -11.438 46.438 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.512 -12.167 43.680 1.00 0.00 H new ATOM 0 HB3 GLU A 48 70.118 -13.038 45.149 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.211 -10.940 46.167 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.640 -10.042 44.724 1.00 0.00 H new ATOM 740 N ALA A 49 72.973 -13.574 46.159 1.00 0.00 N ATOM 741 CA ALA A 49 73.982 -14.659 46.005 1.00 0.00 C ATOM 742 C ALA A 49 73.768 -15.731 47.074 1.00 0.00 C ATOM 743 O ALA A 49 74.613 -16.575 47.295 1.00 0.00 O ATOM 744 CB ALA A 49 75.387 -14.070 46.148 1.00 0.00 C ATOM 0 H ALA A 49 72.479 -13.557 47.051 1.00 0.00 H new ATOM 0 HA ALA A 49 73.871 -15.112 45.020 1.00 0.00 H new ATOM 0 HB1 ALA A 49 76.127 -14.862 46.036 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.545 -13.314 45.378 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.492 -13.613 47.132 1.00 0.00 H new ATOM 750 N MET A 50 72.642 -15.714 47.733 1.00 0.00 N ATOM 751 CA MET A 50 72.380 -16.744 48.776 1.00 0.00 C ATOM 752 C MET A 50 71.946 -18.043 48.085 1.00 0.00 C ATOM 753 O MET A 50 72.764 -18.837 47.661 1.00 0.00 O ATOM 754 CB MET A 50 71.263 -16.255 49.698 1.00 0.00 C ATOM 755 CG MET A 50 71.774 -15.082 50.534 1.00 0.00 C ATOM 756 SD MET A 50 70.417 -14.398 51.517 1.00 0.00 S ATOM 757 CE MET A 50 69.809 -13.226 50.279 1.00 0.00 C ATOM 0 H MET A 50 71.895 -15.034 47.595 1.00 0.00 H new ATOM 0 HA MET A 50 73.280 -16.921 49.365 1.00 0.00 H new ATOM 0 HB2 MET A 50 70.399 -15.947 49.109 1.00 0.00 H new ATOM 0 HB3 MET A 50 70.933 -17.064 50.350 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.580 -15.413 51.189 1.00 0.00 H new ATOM 0 HG3 MET A 50 72.189 -14.312 49.883 1.00 0.00 H new ATOM 0 HE1 MET A 50 68.954 -12.683 50.681 1.00 0.00 H new ATOM 0 HE2 MET A 50 70.601 -12.521 50.026 1.00 0.00 H new ATOM 0 HE3 MET A 50 69.506 -13.768 49.383 1.00 0.00 H new ATOM 767 N HIS A 51 70.663 -18.254 47.950 1.00 0.00 N ATOM 768 CA HIS A 51 70.168 -19.489 47.271 1.00 0.00 C ATOM 769 C HIS A 51 70.105 -19.238 45.759 1.00 0.00 C ATOM 770 O HIS A 51 69.900 -18.124 45.320 1.00 0.00 O ATOM 771 CB HIS A 51 68.768 -19.827 47.796 1.00 0.00 C ATOM 772 CG HIS A 51 68.859 -20.204 49.248 1.00 0.00 C ATOM 773 ND1 HIS A 51 68.706 -19.272 50.266 1.00 0.00 N ATOM 774 CD2 HIS A 51 69.096 -21.404 49.871 1.00 0.00 C ATOM 775 CE1 HIS A 51 68.855 -19.920 51.436 1.00 0.00 C ATOM 776 NE2 HIS A 51 69.093 -21.220 51.249 1.00 0.00 N ATOM 0 H HIS A 51 69.934 -17.622 48.282 1.00 0.00 H new ATOM 0 HA HIS A 51 70.842 -20.321 47.475 1.00 0.00 H new ATOM 0 HB2 HIS A 51 68.104 -18.971 47.672 1.00 0.00 H new ATOM 0 HB3 HIS A 51 68.340 -20.649 47.221 1.00 0.00 H new ATOM 0 HD2 HIS A 51 69.260 -22.346 49.368 1.00 0.00 H new ATOM 0 HE1 HIS A 51 68.790 -19.447 52.405 1.00 0.00 H new ATOM 0 HE2 HIS A 51 69.242 -21.930 51.967 1.00 0.00 H new ATOM 785 N GLY A 52 70.280 -20.256 44.955 1.00 0.00 N ATOM 786 CA GLY A 52 70.226 -20.056 43.471 1.00 0.00 C ATOM 787 C GLY A 52 71.188 -21.026 42.777 1.00 0.00 C ATOM 788 O GLY A 52 72.344 -20.719 42.561 1.00 0.00 O ATOM 0 H GLY A 52 70.457 -21.214 45.258 1.00 0.00 H new ATOM 0 HA2 GLY A 52 69.210 -20.218 43.111 1.00 0.00 H new ATOM 0 HA3 GLY A 52 70.492 -19.028 43.224 1.00 0.00 H new ATOM 792 N GLN A 53 70.719 -22.192 42.423 1.00 0.00 N ATOM 793 CA GLN A 53 71.606 -23.179 41.741 1.00 0.00 C ATOM 794 C GLN A 53 71.854 -22.752 40.291 1.00 0.00 C ATOM 795 O GLN A 53 72.923 -22.961 39.751 1.00 0.00 O ATOM 796 CB GLN A 53 70.944 -24.559 41.756 1.00 0.00 C ATOM 797 CG GLN A 53 70.937 -25.113 43.182 1.00 0.00 C ATOM 798 CD GLN A 53 72.370 -25.442 43.609 1.00 0.00 C ATOM 799 OE1 GLN A 53 72.793 -25.075 44.687 1.00 0.00 O ATOM 800 NE2 GLN A 53 73.143 -26.111 42.798 1.00 0.00 N ATOM 0 H GLN A 53 69.760 -22.504 42.576 1.00 0.00 H new ATOM 0 HA GLN A 53 72.559 -23.222 42.269 1.00 0.00 H new ATOM 0 HB2 GLN A 53 69.924 -24.488 41.378 1.00 0.00 H new ATOM 0 HB3 GLN A 53 71.482 -25.238 41.095 1.00 0.00 H new ATOM 0 HG2 GLN A 53 70.501 -24.384 43.865 1.00 0.00 H new ATOM 0 HG3 GLN A 53 70.317 -26.008 43.233 1.00 0.00 H new ATOM 0 HE21 GLN A 53 72.788 -26.419 41.893 1.00 0.00 H new ATOM 0 HE22 GLN A 53 74.103 -26.326 43.069 1.00 0.00 H new ATOM 809 N VAL A 54 70.874 -22.164 39.652 1.00 0.00 N ATOM 810 CA VAL A 54 71.047 -21.729 38.228 1.00 0.00 C ATOM 811 C VAL A 54 70.424 -20.346 38.035 1.00 0.00 C ATOM 812 O VAL A 54 70.422 -19.802 36.948 1.00 0.00 O ATOM 813 CB VAL A 54 70.361 -22.737 37.303 1.00 0.00 C ATOM 814 CG1 VAL A 54 70.967 -24.123 37.524 1.00 0.00 C ATOM 815 CG2 VAL A 54 68.864 -22.782 37.613 1.00 0.00 C ATOM 0 H VAL A 54 69.958 -21.965 40.055 1.00 0.00 H new ATOM 0 HA VAL A 54 72.109 -21.680 37.988 1.00 0.00 H new ATOM 0 HB VAL A 54 70.507 -22.435 36.266 1.00 0.00 H new ATOM 0 HG11 VAL A 54 70.480 -24.842 36.866 1.00 0.00 H new ATOM 0 HG12 VAL A 54 72.034 -24.093 37.302 1.00 0.00 H new ATOM 0 HG13 VAL A 54 70.820 -24.423 38.562 1.00 0.00 H new ATOM 0 HG21 VAL A 54 68.377 -23.500 36.953 1.00 0.00 H new ATOM 0 HG22 VAL A 54 68.716 -23.083 38.650 1.00 0.00 H new ATOM 0 HG23 VAL A 54 68.430 -21.794 37.457 1.00 0.00 H new ATOM 825 N ASP A 55 69.898 -19.768 39.082 1.00 0.00 N ATOM 826 CA ASP A 55 69.278 -18.415 38.962 1.00 0.00 C ATOM 827 C ASP A 55 70.353 -17.345 39.183 1.00 0.00 C ATOM 828 O ASP A 55 70.260 -16.632 40.169 1.00 0.00 O ATOM 829 CB ASP A 55 68.187 -18.262 40.023 1.00 0.00 C ATOM 830 CG ASP A 55 67.001 -19.161 39.671 1.00 0.00 C ATOM 831 OD1 ASP A 55 66.740 -19.328 38.491 1.00 0.00 O ATOM 832 OD2 ASP A 55 66.377 -19.671 40.587 1.00 0.00 O ATOM 833 OXT ASP A 55 71.252 -17.260 38.362 1.00 0.00 O ATOM 0 H ASP A 55 69.871 -20.175 40.017 1.00 0.00 H new ATOM 0 HA ASP A 55 68.842 -18.298 37.970 1.00 0.00 H new ATOM 0 HB2 ASP A 55 68.580 -18.528 41.004 1.00 0.00 H new ATOM 0 HB3 ASP A 55 67.864 -17.222 40.080 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 96.061 -12.138 23.594 1.00 0.00 N ATOM 840 CA PHE B 1 95.082 -13.037 22.917 1.00 0.00 C ATOM 841 C PHE B 1 95.821 -14.253 22.373 1.00 0.00 C ATOM 842 O PHE B 1 95.826 -14.520 21.189 1.00 0.00 O ATOM 843 CB PHE B 1 94.430 -12.296 21.758 1.00 0.00 C ATOM 844 CG PHE B 1 93.943 -10.942 22.225 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.849 -10.853 23.094 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.584 -9.773 21.789 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.399 -9.600 23.527 1.00 0.00 C ATOM 848 CE2 PHE B 1 94.131 -8.521 22.224 1.00 0.00 C ATOM 849 CZ PHE B 1 93.039 -8.435 23.091 1.00 0.00 C ATOM 0 H1 PHE B 1 95.822 -11.147 23.388 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.025 -12.296 24.621 1.00 0.00 H new ATOM 0 H3 PHE B 1 97.019 -12.343 23.245 1.00 0.00 H new ATOM 0 HA PHE B 1 94.318 -13.349 23.629 1.00 0.00 H new ATOM 0 HB2 PHE B 1 95.145 -12.175 20.944 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.596 -12.877 21.366 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.352 -11.751 23.430 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.427 -9.838 21.117 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.556 -9.533 24.199 1.00 0.00 H new ATOM 0 HE2 PHE B 1 94.626 -7.622 21.889 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.689 -7.469 23.425 1.00 0.00 H new ATOM 861 N LEU B 2 96.458 -14.980 23.237 1.00 0.00 N ATOM 862 CA LEU B 2 97.228 -16.183 22.803 1.00 0.00 C ATOM 863 C LEU B 2 96.390 -17.441 22.969 1.00 0.00 C ATOM 864 O LEU B 2 95.629 -17.579 23.900 1.00 0.00 O ATOM 865 CB LEU B 2 98.500 -16.303 23.647 1.00 0.00 C ATOM 866 CG LEU B 2 99.374 -15.053 23.468 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.540 -15.107 24.461 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.926 -14.990 22.033 1.00 0.00 C ATOM 0 H LEU B 2 96.482 -14.795 24.240 1.00 0.00 H new ATOM 0 HA LEU B 2 97.489 -16.073 21.751 1.00 0.00 H new ATOM 0 HB2 LEU B 2 98.238 -16.425 24.698 1.00 0.00 H new ATOM 0 HB3 LEU B 2 99.058 -17.192 23.352 1.00 0.00 H new ATOM 0 HG LEU B 2 98.769 -14.165 23.653 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.164 -14.222 24.338 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.150 -15.138 25.478 1.00 0.00 H new ATOM 0 HD13 LEU B 2 101.136 -16.000 24.274 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.544 -14.099 21.920 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.528 -15.877 21.836 1.00 0.00 H new ATOM 0 HD23 LEU B 2 99.097 -14.949 21.326 1.00 0.00 H new ATOM 880 N ASP B 3 96.547 -18.372 22.071 1.00 0.00 N ATOM 881 CA ASP B 3 95.780 -19.640 22.174 1.00 0.00 C ATOM 882 C ASP B 3 96.151 -20.297 23.497 1.00 0.00 C ATOM 883 O ASP B 3 95.316 -20.834 24.197 1.00 0.00 O ATOM 884 CB ASP B 3 96.160 -20.568 21.017 1.00 0.00 C ATOM 885 CG ASP B 3 95.611 -20.005 19.705 1.00 0.00 C ATOM 886 OD1 ASP B 3 94.651 -19.256 19.759 1.00 0.00 O ATOM 887 OD2 ASP B 3 96.164 -20.332 18.668 1.00 0.00 O ATOM 0 H ASP B 3 97.175 -18.308 21.270 1.00 0.00 H new ATOM 0 HA ASP B 3 94.709 -19.445 22.128 1.00 0.00 H new ATOM 0 HB2 ASP B 3 97.244 -20.666 20.957 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.759 -21.566 21.192 1.00 0.00 H new ATOM 892 N GLY B 4 97.409 -20.238 23.853 1.00 0.00 N ATOM 893 CA GLY B 4 97.856 -20.835 25.144 1.00 0.00 C ATOM 894 C GLY B 4 96.879 -20.425 26.246 1.00 0.00 C ATOM 895 O GLY B 4 96.795 -21.052 27.283 1.00 0.00 O ATOM 0 H GLY B 4 98.147 -19.800 23.302 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.897 -21.921 25.062 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.863 -20.495 25.388 1.00 0.00 H new ATOM 899 N ILE B 5 96.124 -19.383 26.018 1.00 0.00 N ATOM 900 CA ILE B 5 95.135 -18.945 27.038 1.00 0.00 C ATOM 901 C ILE B 5 94.151 -20.091 27.275 1.00 0.00 C ATOM 902 O ILE B 5 93.776 -20.383 28.393 1.00 0.00 O ATOM 903 CB ILE B 5 94.391 -17.703 26.533 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.346 -16.509 26.518 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.205 -17.396 27.456 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.699 -15.352 25.753 1.00 0.00 C ATOM 0 H ILE B 5 96.152 -18.818 25.169 1.00 0.00 H new ATOM 0 HA ILE B 5 95.638 -18.691 27.971 1.00 0.00 H new ATOM 0 HB ILE B 5 94.023 -17.890 25.524 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.577 -16.201 27.538 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.289 -16.789 26.048 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.680 -16.513 27.092 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.522 -18.246 27.466 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.569 -17.211 28.467 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.378 -14.499 25.741 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.490 -15.664 24.730 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.768 -15.067 26.243 1.00 0.00 H new ATOM 918 N ASP B 6 93.751 -20.754 26.227 1.00 0.00 N ATOM 919 CA ASP B 6 92.812 -21.897 26.381 1.00 0.00 C ATOM 920 C ASP B 6 93.473 -22.948 27.272 1.00 0.00 C ATOM 921 O ASP B 6 92.843 -23.551 28.119 1.00 0.00 O ATOM 922 CB ASP B 6 92.511 -22.493 25.000 1.00 0.00 C ATOM 923 CG ASP B 6 91.543 -23.673 25.135 1.00 0.00 C ATOM 924 OD1 ASP B 6 91.512 -24.277 26.194 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.843 -23.948 24.175 1.00 0.00 O ATOM 0 H ASP B 6 94.035 -20.553 25.268 1.00 0.00 H new ATOM 0 HA ASP B 6 91.878 -21.566 26.834 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.079 -21.730 24.353 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.436 -22.824 24.529 1.00 0.00 H new ATOM 930 N LYS B 7 94.746 -23.160 27.089 1.00 0.00 N ATOM 931 CA LYS B 7 95.471 -24.162 27.918 1.00 0.00 C ATOM 932 C LYS B 7 95.479 -23.695 29.376 1.00 0.00 C ATOM 933 O LYS B 7 95.333 -24.480 30.293 1.00 0.00 O ATOM 934 CB LYS B 7 96.909 -24.302 27.411 1.00 0.00 C ATOM 935 CG LYS B 7 97.628 -25.390 28.209 1.00 0.00 C ATOM 936 CD LYS B 7 99.045 -25.576 27.663 1.00 0.00 C ATOM 937 CE LYS B 7 99.734 -26.717 28.413 1.00 0.00 C ATOM 938 NZ LYS B 7 99.124 -28.016 28.007 1.00 0.00 N ATOM 0 H LYS B 7 95.319 -22.679 26.396 1.00 0.00 H new ATOM 0 HA LYS B 7 94.972 -25.129 27.848 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.909 -24.554 26.351 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.436 -23.353 27.513 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.667 -25.116 29.263 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.076 -26.328 28.143 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.009 -25.797 26.596 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.615 -24.654 27.779 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.802 -26.719 28.193 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.631 -26.575 29.489 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.764 -28.795 28.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.215 -28.140 28.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.967 -28.020 26.979 1.00 0.00 H new ATOM 952 N ALA B 8 95.655 -22.423 29.595 1.00 0.00 N ATOM 953 CA ALA B 8 95.681 -21.897 30.990 1.00 0.00 C ATOM 954 C ALA B 8 94.351 -22.206 31.686 1.00 0.00 C ATOM 955 O ALA B 8 94.314 -22.510 32.861 1.00 0.00 O ATOM 956 CB ALA B 8 95.895 -20.382 30.955 1.00 0.00 C ATOM 0 H ALA B 8 95.783 -21.721 28.866 1.00 0.00 H new ATOM 0 HA ALA B 8 96.494 -22.372 31.540 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.915 -19.994 31.973 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.842 -20.160 30.464 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.081 -19.912 30.403 1.00 0.00 H new ATOM 962 N GLN B 9 93.258 -22.125 30.977 1.00 0.00 N ATOM 963 CA GLN B 9 91.936 -22.406 31.613 1.00 0.00 C ATOM 964 C GLN B 9 91.913 -23.838 32.155 1.00 0.00 C ATOM 965 O GLN B 9 91.439 -24.090 33.245 1.00 0.00 O ATOM 966 CB GLN B 9 90.830 -22.257 30.568 1.00 0.00 C ATOM 967 CG GLN B 9 90.669 -20.783 30.195 1.00 0.00 C ATOM 968 CD GLN B 9 89.708 -20.661 29.012 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.704 -21.498 28.131 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.884 -19.651 28.956 1.00 0.00 N ATOM 0 H GLN B 9 93.221 -21.877 29.988 1.00 0.00 H new ATOM 0 HA GLN B 9 91.777 -21.703 32.431 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.073 -22.842 29.681 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.891 -22.648 30.960 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.288 -20.220 31.047 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.637 -20.354 29.937 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.887 -18.948 29.695 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.236 -19.564 28.173 1.00 0.00 H new ATOM 979 N GLU B 10 92.416 -24.777 31.402 1.00 0.00 N ATOM 980 CA GLU B 10 92.422 -26.192 31.871 1.00 0.00 C ATOM 981 C GLU B 10 93.225 -26.317 33.168 1.00 0.00 C ATOM 982 O GLU B 10 92.863 -27.054 34.063 1.00 0.00 O ATOM 983 CB GLU B 10 93.047 -27.092 30.801 1.00 0.00 C ATOM 984 CG GLU B 10 92.100 -27.200 29.608 1.00 0.00 C ATOM 985 CD GLU B 10 92.688 -28.166 28.580 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.472 -27.721 27.759 1.00 0.00 O ATOM 987 OE2 GLU B 10 92.348 -29.337 28.633 1.00 0.00 O ATOM 0 H GLU B 10 92.824 -24.625 30.480 1.00 0.00 H new ATOM 0 HA GLU B 10 91.393 -26.502 32.055 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.006 -26.683 30.482 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.244 -28.082 31.213 1.00 0.00 H new ATOM 0 HG2 GLU B 10 91.122 -27.552 29.936 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.951 -26.219 29.158 1.00 0.00 H new ATOM 994 N GLU B 11 94.327 -25.624 33.264 1.00 0.00 N ATOM 995 CA GLU B 11 95.180 -25.720 34.489 1.00 0.00 C ATOM 996 C GLU B 11 94.853 -24.583 35.462 1.00 0.00 C ATOM 997 O GLU B 11 95.565 -24.354 36.419 1.00 0.00 O ATOM 998 CB GLU B 11 96.649 -25.627 34.075 1.00 0.00 C ATOM 999 CG GLU B 11 97.013 -26.847 33.227 1.00 0.00 C ATOM 1000 CD GLU B 11 98.483 -26.759 32.811 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.099 -25.746 33.096 1.00 0.00 O ATOM 1002 OE2 GLU B 11 98.968 -27.707 32.215 1.00 0.00 O ATOM 0 H GLU B 11 94.677 -24.992 32.544 1.00 0.00 H new ATOM 0 HA GLU B 11 94.986 -26.670 34.987 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.822 -24.712 33.509 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.286 -25.581 34.959 1.00 0.00 H new ATOM 0 HG2 GLU B 11 96.838 -27.762 33.793 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.376 -26.892 32.344 1.00 0.00 H new ATOM 1009 N CYS B 12 93.785 -23.870 35.233 1.00 0.00 N ATOM 1010 CA CYS B 12 93.428 -22.758 36.160 1.00 0.00 C ATOM 1011 C CYS B 12 93.462 -23.266 37.606 1.00 0.00 C ATOM 1012 O CYS B 12 93.913 -22.585 38.505 1.00 0.00 O ATOM 1013 CB CYS B 12 92.023 -22.251 35.834 1.00 0.00 C ATOM 1014 SG CYS B 12 91.639 -20.825 36.883 1.00 0.00 S ATOM 0 H CYS B 12 93.147 -24.007 34.449 1.00 0.00 H new ATOM 0 HA CYS B 12 94.145 -21.945 36.042 1.00 0.00 H new ATOM 0 HB2 CYS B 12 91.961 -21.970 34.783 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.292 -23.043 35.996 1.00 0.00 H new ATOM 1019 N GLU B 13 92.988 -24.461 37.833 1.00 0.00 N ATOM 1020 CA GLU B 13 92.988 -25.020 39.218 1.00 0.00 C ATOM 1021 C GLU B 13 94.423 -25.096 39.749 1.00 0.00 C ATOM 1022 O GLU B 13 94.677 -24.840 40.908 1.00 0.00 O ATOM 1023 CB GLU B 13 92.381 -26.425 39.206 1.00 0.00 C ATOM 1024 CG GLU B 13 90.880 -26.335 38.929 1.00 0.00 C ATOM 1025 CD GLU B 13 90.281 -27.742 38.920 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.047 -28.691 38.958 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.065 -27.848 38.879 1.00 0.00 O ATOM 0 H GLU B 13 92.600 -25.077 37.118 1.00 0.00 H new ATOM 0 HA GLU B 13 92.396 -24.370 39.863 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.866 -27.035 38.443 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.555 -26.915 40.164 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.394 -25.726 39.691 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.704 -25.847 37.970 1.00 0.00 H new ATOM 1034 N LYS B 14 95.356 -25.464 38.917 1.00 0.00 N ATOM 1035 CA LYS B 14 96.771 -25.578 39.380 1.00 0.00 C ATOM 1036 C LYS B 14 97.263 -24.223 39.897 1.00 0.00 C ATOM 1037 O LYS B 14 97.967 -24.150 40.885 1.00 0.00 O ATOM 1038 CB LYS B 14 97.655 -26.044 38.217 1.00 0.00 C ATOM 1039 CG LYS B 14 99.108 -26.184 38.689 1.00 0.00 C ATOM 1040 CD LYS B 14 99.981 -26.657 37.525 1.00 0.00 C ATOM 1041 CE LYS B 14 101.429 -26.795 37.998 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.508 -27.833 39.066 1.00 0.00 N ATOM 0 H LYS B 14 95.202 -25.692 37.935 1.00 0.00 H new ATOM 0 HA LYS B 14 96.826 -26.306 40.190 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.294 -26.999 37.834 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.597 -25.329 37.396 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.473 -25.228 39.066 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.167 -26.895 39.513 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.617 -27.613 37.149 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.923 -25.947 36.700 1.00 0.00 H new ATOM 0 HE2 LYS B 14 102.071 -27.070 37.161 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.791 -25.840 38.378 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.485 -28.183 39.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.220 -27.418 39.975 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.874 -28.623 38.830 1.00 0.00 H new ATOM 1056 N TYR B 15 96.911 -23.149 39.243 1.00 0.00 N ATOM 1057 CA TYR B 15 97.377 -21.810 39.714 1.00 0.00 C ATOM 1058 C TYR B 15 96.409 -21.276 40.770 1.00 0.00 C ATOM 1059 O TYR B 15 96.735 -20.380 41.523 1.00 0.00 O ATOM 1060 CB TYR B 15 97.430 -20.841 38.531 1.00 0.00 C ATOM 1061 CG TYR B 15 98.505 -21.288 37.570 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.847 -21.004 37.846 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.163 -21.995 36.410 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.847 -21.423 36.963 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.164 -22.414 35.526 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.506 -22.128 35.803 1.00 0.00 C ATOM 1067 OH TYR B 15 101.494 -22.540 34.931 1.00 0.00 O ATOM 0 H TYR B 15 96.325 -23.139 38.408 1.00 0.00 H new ATOM 0 HA TYR B 15 98.372 -21.904 40.149 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.464 -20.811 38.027 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.637 -19.830 38.883 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.111 -20.461 38.742 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.127 -22.217 36.198 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.883 -21.203 37.176 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.901 -22.958 34.631 1.00 0.00 H new ATOM 0 HH TYR B 15 102.280 -21.963 35.030 1.00 0.00 H new ATOM 1077 N HIS B 16 95.228 -21.826 40.838 1.00 0.00 N ATOM 1078 CA HIS B 16 94.240 -21.366 41.858 1.00 0.00 C ATOM 1079 C HIS B 16 93.955 -19.873 41.678 1.00 0.00 C ATOM 1080 O HIS B 16 93.795 -19.387 40.578 1.00 0.00 O ATOM 1081 CB HIS B 16 94.797 -21.626 43.261 1.00 0.00 C ATOM 1082 CG HIS B 16 95.348 -23.023 43.325 1.00 0.00 C ATOM 1083 ND1 HIS B 16 96.700 -23.294 43.170 1.00 0.00 N ATOM 1084 CD2 HIS B 16 94.742 -24.240 43.518 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.862 -24.627 43.270 1.00 0.00 C ATOM 1086 NE2 HIS B 16 95.699 -25.247 43.482 1.00 0.00 N ATOM 0 H HIS B 16 94.902 -22.577 40.229 1.00 0.00 H new ATOM 0 HA HIS B 16 93.309 -21.918 41.730 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.579 -20.903 43.494 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.012 -21.498 44.006 1.00 0.00 H new ATOM 0 HD2 HIS B 16 93.684 -24.391 43.674 1.00 0.00 H new ATOM 0 HE1 HIS B 16 97.814 -25.131 43.189 1.00 0.00 H new ATOM 0 HE2 HIS B 16 95.545 -26.249 43.594 1.00 0.00 H new ATOM 1095 N SER B 17 93.879 -19.145 42.760 1.00 0.00 N ATOM 1096 CA SER B 17 93.590 -17.684 42.668 1.00 0.00 C ATOM 1097 C SER B 17 94.884 -16.912 42.402 1.00 0.00 C ATOM 1098 O SER B 17 94.872 -15.707 42.241 1.00 0.00 O ATOM 1099 CB SER B 17 92.974 -17.204 43.982 1.00 0.00 C ATOM 1100 OG SER B 17 91.698 -17.810 44.150 1.00 0.00 O ATOM 0 H SER B 17 94.005 -19.501 43.708 1.00 0.00 H new ATOM 0 HA SER B 17 92.893 -17.508 41.849 1.00 0.00 H new ATOM 0 HB2 SER B 17 93.625 -17.461 44.818 1.00 0.00 H new ATOM 0 HB3 SER B 17 92.876 -16.118 43.976 1.00 0.00 H new ATOM 0 HG SER B 17 91.300 -17.506 44.992 1.00 0.00 H new ATOM 1106 N ASN B 18 96.002 -17.585 42.357 1.00 0.00 N ATOM 1107 CA ASN B 18 97.287 -16.870 42.105 1.00 0.00 C ATOM 1108 C ASN B 18 97.450 -16.631 40.602 1.00 0.00 C ATOM 1109 O ASN B 18 98.208 -17.308 39.935 1.00 0.00 O ATOM 1110 CB ASN B 18 98.456 -17.721 42.611 1.00 0.00 C ATOM 1111 CG ASN B 18 98.529 -17.641 44.135 1.00 0.00 C ATOM 1112 OD1 ASN B 18 97.779 -16.914 44.756 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.419 -18.356 44.767 1.00 0.00 N ATOM 0 H ASN B 18 96.082 -18.594 42.483 1.00 0.00 H new ATOM 0 HA ASN B 18 97.278 -15.915 42.630 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.327 -18.757 42.297 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.390 -17.370 42.174 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.486 -18.305 45.784 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.048 -18.966 44.244 1.00 0.00 H new ATOM 1120 N TRP B 19 96.753 -15.668 40.062 1.00 0.00 N ATOM 1121 CA TRP B 19 96.883 -15.390 38.605 1.00 0.00 C ATOM 1122 C TRP B 19 98.233 -14.730 38.329 1.00 0.00 C ATOM 1123 O TRP B 19 98.696 -14.687 37.206 1.00 0.00 O ATOM 1124 CB TRP B 19 95.744 -14.474 38.142 1.00 0.00 C ATOM 1125 CG TRP B 19 95.778 -13.171 38.884 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.134 -12.931 40.049 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.459 -11.928 38.530 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.376 -11.624 40.434 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.186 -10.965 39.532 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.278 -11.545 37.450 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 96.706 -9.670 39.466 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.804 -10.243 37.382 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.519 -9.308 38.387 1.00 0.00 C ATOM 0 H TRP B 19 96.102 -15.065 40.565 1.00 0.00 H new ATOM 0 HA TRP B 19 96.824 -16.328 38.053 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.830 -14.291 37.071 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.785 -14.966 38.305 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.529 -13.643 40.591 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.001 -11.199 41.282 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.503 -12.256 36.669 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.482 -8.954 40.243 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.432 -9.961 36.550 1.00 0.00 H new ATOM 0 HH2 TRP B 19 97.927 -8.310 38.328 1.00 0.00 H new ATOM 1144 N ARG B 20 98.870 -14.216 39.345 1.00 0.00 N ATOM 1145 CA ARG B 20 100.191 -13.557 39.140 1.00 0.00 C ATOM 1146 C ARG B 20 101.172 -14.577 38.567 1.00 0.00 C ATOM 1147 O ARG B 20 101.852 -14.325 37.592 1.00 0.00 O ATOM 1148 CB ARG B 20 100.736 -13.053 40.481 1.00 0.00 C ATOM 1149 CG ARG B 20 99.664 -12.256 41.236 1.00 0.00 C ATOM 1150 CD ARG B 20 99.306 -10.978 40.476 1.00 0.00 C ATOM 1151 NE ARG B 20 100.545 -10.245 40.051 1.00 0.00 N ATOM 1152 CZ ARG B 20 101.459 -9.870 40.910 1.00 0.00 C ATOM 1153 NH1 ARG B 20 101.255 -9.982 42.193 1.00 0.00 N ATOM 1154 NH2 ARG B 20 102.561 -9.320 40.478 1.00 0.00 N ATOM 0 H ARG B 20 98.533 -14.224 40.308 1.00 0.00 H new ATOM 0 HA ARG B 20 100.071 -12.717 38.455 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.063 -13.898 41.087 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.611 -12.425 40.311 1.00 0.00 H new ATOM 0 HG2 ARG B 20 98.772 -12.869 41.367 1.00 0.00 H new ATOM 0 HG3 ARG B 20 100.026 -12.003 42.233 1.00 0.00 H new ATOM 0 HD2 ARG B 20 98.707 -11.226 39.600 1.00 0.00 H new ATOM 0 HD3 ARG B 20 98.695 -10.333 41.108 1.00 0.00 H new ATOM 0 HE ARG B 20 100.679 -10.033 39.062 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.375 -10.366 42.538 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.975 -9.686 42.852 1.00 0.00 H new ATOM 0 HH21 ARG B 20 102.705 -9.185 39.477 1.00 0.00 H new ATOM 0 HH22 ARG B 20 103.278 -9.025 41.141 1.00 0.00 H new ATOM 1168 N ALA B 21 101.253 -15.725 39.174 1.00 0.00 N ATOM 1169 CA ALA B 21 102.193 -16.766 38.678 1.00 0.00 C ATOM 1170 C ALA B 21 101.769 -17.200 37.273 1.00 0.00 C ATOM 1171 O ALA B 21 102.587 -17.379 36.393 1.00 0.00 O ATOM 1172 CB ALA B 21 102.154 -17.969 39.623 1.00 0.00 C ATOM 0 H ALA B 21 100.708 -15.989 39.995 1.00 0.00 H new ATOM 0 HA ALA B 21 103.206 -16.365 38.642 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.841 -18.736 39.265 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.450 -17.655 40.624 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.143 -18.374 39.655 1.00 0.00 H new ATOM 1178 N MET B 22 100.493 -17.362 37.053 1.00 0.00 N ATOM 1179 CA MET B 22 100.018 -17.774 35.703 1.00 0.00 C ATOM 1180 C MET B 22 100.410 -16.706 34.682 1.00 0.00 C ATOM 1181 O MET B 22 100.925 -17.002 33.625 1.00 0.00 O ATOM 1182 CB MET B 22 98.497 -17.928 35.728 1.00 0.00 C ATOM 1183 CG MET B 22 98.005 -18.415 34.365 1.00 0.00 C ATOM 1184 SD MET B 22 96.247 -18.834 34.473 1.00 0.00 S ATOM 1185 CE MET B 22 95.644 -17.195 34.953 1.00 0.00 C ATOM 0 H MET B 22 99.760 -17.227 37.749 1.00 0.00 H new ATOM 0 HA MET B 22 100.474 -18.725 35.426 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.206 -18.636 36.504 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.029 -16.975 35.975 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.160 -17.642 33.613 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.579 -19.286 34.049 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.596 -17.096 34.671 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.742 -17.073 36.032 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.230 -16.429 34.446 1.00 0.00 H new ATOM 1195 N ALA B 23 100.177 -15.460 34.989 1.00 0.00 N ATOM 1196 CA ALA B 23 100.537 -14.377 34.032 1.00 0.00 C ATOM 1197 C ALA B 23 102.039 -14.425 33.740 1.00 0.00 C ATOM 1198 O ALA B 23 102.470 -14.227 32.622 1.00 0.00 O ATOM 1199 CB ALA B 23 100.175 -13.023 34.642 1.00 0.00 C ATOM 0 H ALA B 23 99.753 -15.145 35.861 1.00 0.00 H new ATOM 0 HA ALA B 23 99.987 -14.516 33.101 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.437 -12.228 33.944 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.105 -12.990 34.845 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.725 -12.885 35.573 1.00 0.00 H new ATOM 1205 N SER B 24 102.839 -14.676 34.741 1.00 0.00 N ATOM 1206 CA SER B 24 104.314 -14.728 34.529 1.00 0.00 C ATOM 1207 C SER B 24 104.677 -15.925 33.646 1.00 0.00 C ATOM 1208 O SER B 24 105.563 -15.847 32.817 1.00 0.00 O ATOM 1209 CB SER B 24 105.019 -14.857 35.879 1.00 0.00 C ATOM 1210 OG SER B 24 106.425 -14.815 35.678 1.00 0.00 O ATOM 0 H SER B 24 102.534 -14.848 35.699 1.00 0.00 H new ATOM 0 HA SER B 24 104.635 -13.811 34.034 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.710 -14.049 36.543 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.737 -15.792 36.362 1.00 0.00 H new ATOM 0 HG SER B 24 106.881 -14.896 36.541 1.00 0.00 H new ATOM 1216 N ASP B 25 104.008 -17.031 33.815 1.00 0.00 N ATOM 1217 CA ASP B 25 104.332 -18.225 32.982 1.00 0.00 C ATOM 1218 C ASP B 25 103.916 -17.971 31.534 1.00 0.00 C ATOM 1219 O ASP B 25 104.618 -18.325 30.608 1.00 0.00 O ATOM 1220 CB ASP B 25 103.580 -19.444 33.520 1.00 0.00 C ATOM 1221 CG ASP B 25 104.204 -19.883 34.846 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.384 -19.637 35.032 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.492 -20.460 35.650 1.00 0.00 O ATOM 0 H ASP B 25 103.254 -17.161 34.490 1.00 0.00 H new ATOM 0 HA ASP B 25 105.405 -18.411 33.023 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.527 -19.201 33.664 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.623 -20.259 32.798 1.00 0.00 H new ATOM 1228 N PHE B 26 102.789 -17.344 31.329 1.00 0.00 N ATOM 1229 CA PHE B 26 102.332 -17.052 29.936 1.00 0.00 C ATOM 1230 C PHE B 26 102.764 -15.632 29.544 1.00 0.00 C ATOM 1231 O PHE B 26 102.513 -15.177 28.447 1.00 0.00 O ATOM 1232 CB PHE B 26 100.807 -17.171 29.852 1.00 0.00 C ATOM 1233 CG PHE B 26 100.398 -18.625 29.964 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.293 -19.413 28.810 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.126 -19.188 31.219 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.917 -20.758 28.911 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.750 -20.533 31.317 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.646 -21.317 30.164 1.00 0.00 C ATOM 0 H PHE B 26 102.163 -17.020 32.066 1.00 0.00 H new ATOM 0 HA PHE B 26 102.782 -17.770 29.251 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.343 -16.591 30.650 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.452 -16.756 28.909 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.502 -18.983 27.842 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.207 -18.584 32.111 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.836 -21.364 28.021 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.540 -20.965 32.284 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.356 -22.355 30.241 1.00 0.00 H new ATOM 1248 N ASN B 27 103.424 -14.935 30.434 1.00 0.00 N ATOM 1249 CA ASN B 27 103.886 -13.550 30.114 1.00 0.00 C ATOM 1250 C ASN B 27 102.726 -12.722 29.562 1.00 0.00 C ATOM 1251 O ASN B 27 102.852 -12.078 28.540 1.00 0.00 O ATOM 1252 CB ASN B 27 104.997 -13.609 29.064 1.00 0.00 C ATOM 1253 CG ASN B 27 106.184 -14.402 29.609 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.607 -14.170 30.822 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.733 -15.242 28.925 1.00 0.00 N flip ATOM 0 H ASN B 27 103.663 -15.265 31.369 1.00 0.00 H new ATOM 0 HA ASN B 27 104.260 -13.086 31.027 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.624 -14.076 28.153 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.313 -12.600 28.799 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.403 -15.423 27.977 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.524 -15.766 29.298 1.00 0.00 H new ATOM 1262 N LEU B 28 101.598 -12.729 30.230 1.00 0.00 N ATOM 1263 CA LEU B 28 100.418 -11.936 29.750 1.00 0.00 C ATOM 1264 C LEU B 28 100.089 -10.842 30.773 1.00 0.00 C ATOM 1265 O LEU B 28 100.332 -11.000 31.951 1.00 0.00 O ATOM 1266 CB LEU B 28 99.203 -12.868 29.620 1.00 0.00 C ATOM 1267 CG LEU B 28 99.283 -13.674 28.308 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.401 -14.927 28.411 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.791 -12.817 27.127 1.00 0.00 C ATOM 0 H LEU B 28 101.441 -13.252 31.092 1.00 0.00 H new ATOM 0 HA LEU B 28 100.652 -11.485 28.785 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.166 -13.548 30.471 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.284 -12.283 29.639 1.00 0.00 H new ATOM 0 HG LEU B 28 100.321 -13.963 28.142 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.462 -15.492 27.481 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.747 -15.549 29.237 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.367 -14.631 28.589 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.852 -13.397 26.206 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.757 -12.519 27.300 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.415 -11.928 27.038 1.00 0.00 H new ATOM 1281 N PRO B 29 99.511 -9.750 30.333 1.00 0.00 N ATOM 1282 CA PRO B 29 99.118 -8.639 31.242 1.00 0.00 C ATOM 1283 C PRO B 29 97.939 -9.062 32.126 1.00 0.00 C ATOM 1284 O PRO B 29 97.235 -10.003 31.814 1.00 0.00 O ATOM 1285 CB PRO B 29 98.720 -7.502 30.289 1.00 0.00 C ATOM 1286 CG PRO B 29 98.312 -8.187 29.024 1.00 0.00 C ATOM 1287 CD PRO B 29 99.173 -9.449 28.928 1.00 0.00 C ATOM 0 HA PRO B 29 99.915 -8.345 31.925 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.902 -6.910 30.700 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.553 -6.820 30.118 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.252 -8.439 29.042 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.471 -7.540 28.161 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.629 -10.271 28.462 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.067 -9.279 28.329 1.00 0.00 H new ATOM 1295 N PRO B 30 97.730 -8.386 33.221 1.00 0.00 N ATOM 1296 CA PRO B 30 96.620 -8.715 34.162 1.00 0.00 C ATOM 1297 C PRO B 30 95.265 -8.753 33.444 1.00 0.00 C ATOM 1298 O PRO B 30 94.314 -9.343 33.919 1.00 0.00 O ATOM 1299 CB PRO B 30 96.668 -7.582 35.215 1.00 0.00 C ATOM 1300 CG PRO B 30 97.547 -6.516 34.623 1.00 0.00 C ATOM 1301 CD PRO B 30 98.512 -7.234 33.685 1.00 0.00 C ATOM 0 HA PRO B 30 96.735 -9.703 34.608 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.670 -7.197 35.422 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.072 -7.943 36.161 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.954 -5.779 34.082 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.088 -5.980 35.403 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.819 -6.595 32.857 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.420 -7.545 34.202 1.00 0.00 H new ATOM 1309 N VAL B 31 95.168 -8.122 32.309 1.00 0.00 N ATOM 1310 CA VAL B 31 93.874 -8.117 31.574 1.00 0.00 C ATOM 1311 C VAL B 31 93.457 -9.550 31.229 1.00 0.00 C ATOM 1312 O VAL B 31 92.372 -9.987 31.558 1.00 0.00 O ATOM 1313 CB VAL B 31 94.044 -7.314 30.278 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.819 -7.497 29.372 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.204 -5.830 30.619 1.00 0.00 C ATOM 0 H VAL B 31 95.927 -7.610 31.859 1.00 0.00 H new ATOM 0 HA VAL B 31 93.104 -7.666 32.200 1.00 0.00 H new ATOM 0 HB VAL B 31 94.929 -7.673 29.753 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.954 -6.921 28.456 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.705 -8.552 29.124 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.927 -7.148 29.892 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.325 -5.257 29.700 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.319 -5.481 31.150 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.083 -5.694 31.250 1.00 0.00 H new ATOM 1325 N VAL B 32 94.304 -10.278 30.558 1.00 0.00 N ATOM 1326 CA VAL B 32 93.950 -11.674 30.178 1.00 0.00 C ATOM 1327 C VAL B 32 93.978 -12.586 31.407 1.00 0.00 C ATOM 1328 O VAL B 32 93.125 -13.434 31.579 1.00 0.00 O ATOM 1329 CB VAL B 32 94.948 -12.177 29.133 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.747 -13.676 28.885 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.733 -11.407 27.830 1.00 0.00 C ATOM 0 H VAL B 32 95.227 -9.967 30.256 1.00 0.00 H new ATOM 0 HA VAL B 32 92.943 -11.688 29.762 1.00 0.00 H new ATOM 0 HB VAL B 32 95.963 -12.017 29.497 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.463 -14.021 28.139 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.900 -14.223 29.816 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.734 -13.852 28.523 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.440 -11.759 27.079 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.715 -11.570 27.475 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.890 -10.343 28.006 1.00 0.00 H new ATOM 1341 N ALA B 33 94.956 -12.431 32.255 1.00 0.00 N ATOM 1342 CA ALA B 33 95.038 -13.307 33.458 1.00 0.00 C ATOM 1343 C ALA B 33 93.781 -13.125 34.312 1.00 0.00 C ATOM 1344 O ALA B 33 93.121 -14.080 34.674 1.00 0.00 O ATOM 1345 CB ALA B 33 96.281 -12.932 34.266 1.00 0.00 C ATOM 0 H ALA B 33 95.700 -11.738 32.168 1.00 0.00 H new ATOM 0 HA ALA B 33 95.108 -14.351 33.152 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.347 -13.569 35.148 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.170 -13.070 33.651 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.213 -11.889 34.576 1.00 0.00 H new ATOM 1351 N LYS B 34 93.435 -11.907 34.619 1.00 0.00 N ATOM 1352 CA LYS B 34 92.209 -11.666 35.430 1.00 0.00 C ATOM 1353 C LYS B 34 90.993 -12.222 34.689 1.00 0.00 C ATOM 1354 O LYS B 34 90.098 -12.795 35.278 1.00 0.00 O ATOM 1355 CB LYS B 34 92.027 -10.163 35.659 1.00 0.00 C ATOM 1356 CG LYS B 34 93.110 -9.655 36.612 1.00 0.00 C ATOM 1357 CD LYS B 34 92.924 -8.154 36.836 1.00 0.00 C ATOM 1358 CE LYS B 34 94.004 -7.640 37.788 1.00 0.00 C ATOM 1359 NZ LYS B 34 94.029 -6.150 37.751 1.00 0.00 N ATOM 0 H LYS B 34 93.947 -11.069 34.344 1.00 0.00 H new ATOM 0 HA LYS B 34 92.309 -12.166 36.394 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.085 -9.631 34.710 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.039 -9.965 36.076 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.052 -10.186 37.562 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.098 -9.852 36.196 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.981 -7.624 35.885 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.936 -7.958 37.251 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.805 -7.986 38.802 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.977 -8.038 37.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.763 -5.799 38.398 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.238 -5.830 36.784 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.103 -5.780 38.045 1.00 0.00 H new ATOM 1373 N GLU B 35 90.955 -12.046 33.398 1.00 0.00 N ATOM 1374 CA GLU B 35 89.799 -12.546 32.602 1.00 0.00 C ATOM 1375 C GLU B 35 89.679 -14.067 32.743 1.00 0.00 C ATOM 1376 O GLU B 35 88.595 -14.602 32.859 1.00 0.00 O ATOM 1377 CB GLU B 35 90.017 -12.190 31.130 1.00 0.00 C ATOM 1378 CG GLU B 35 88.749 -12.495 30.325 1.00 0.00 C ATOM 1379 CD GLU B 35 88.631 -14.003 30.078 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.639 -14.686 30.171 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.528 -14.451 29.808 1.00 0.00 O ATOM 0 H GLU B 35 91.679 -11.574 32.856 1.00 0.00 H new ATOM 0 HA GLU B 35 88.883 -12.083 32.968 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.272 -11.134 31.036 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.857 -12.758 30.730 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.872 -12.137 30.864 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.777 -11.964 29.374 1.00 0.00 H new ATOM 1388 N ILE B 36 90.778 -14.772 32.734 1.00 0.00 N ATOM 1389 CA ILE B 36 90.707 -16.255 32.872 1.00 0.00 C ATOM 1390 C ILE B 36 90.045 -16.585 34.210 1.00 0.00 C ATOM 1391 O ILE B 36 89.173 -17.427 34.296 1.00 0.00 O ATOM 1392 CB ILE B 36 92.123 -16.829 32.809 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.665 -16.656 31.387 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.098 -18.316 33.158 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.162 -16.977 31.354 1.00 0.00 C ATOM 0 H ILE B 36 91.718 -14.387 32.638 1.00 0.00 H new ATOM 0 HA ILE B 36 90.119 -16.694 32.066 1.00 0.00 H new ATOM 0 HB ILE B 36 92.759 -16.304 33.522 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.129 -17.313 30.702 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.496 -15.634 31.046 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.110 -18.718 33.111 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.702 -18.447 34.165 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.464 -18.846 32.447 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.539 -16.851 30.339 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.694 -16.302 32.025 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.321 -18.007 31.675 1.00 0.00 H new ATOM 1407 N VAL B 37 90.426 -15.893 35.249 1.00 0.00 N ATOM 1408 CA VAL B 37 89.792 -16.122 36.577 1.00 0.00 C ATOM 1409 C VAL B 37 88.333 -15.670 36.486 1.00 0.00 C ATOM 1410 O VAL B 37 87.436 -16.297 37.014 1.00 0.00 O ATOM 1411 CB VAL B 37 90.531 -15.297 37.640 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.741 -15.314 38.955 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.918 -15.904 37.873 1.00 0.00 C ATOM 0 H VAL B 37 91.152 -15.176 35.234 1.00 0.00 H new ATOM 0 HA VAL B 37 89.842 -17.175 36.853 1.00 0.00 H new ATOM 0 HB VAL B 37 90.630 -14.268 37.295 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.271 -14.727 39.705 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.752 -14.886 38.791 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.638 -16.341 39.304 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.448 -15.322 38.627 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.812 -16.933 38.217 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.483 -15.890 36.941 1.00 0.00 H new ATOM 1423 N ALA B 38 88.104 -14.578 35.809 1.00 0.00 N ATOM 1424 CA ALA B 38 86.719 -14.048 35.658 1.00 0.00 C ATOM 1425 C ALA B 38 85.823 -15.091 34.981 1.00 0.00 C ATOM 1426 O ALA B 38 84.613 -15.024 35.065 1.00 0.00 O ATOM 1427 CB ALA B 38 86.755 -12.785 34.797 1.00 0.00 C ATOM 0 H ALA B 38 88.826 -14.024 35.349 1.00 0.00 H new ATOM 0 HA ALA B 38 86.317 -13.819 36.645 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.744 -12.393 34.683 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.383 -12.035 35.278 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.163 -13.025 33.815 1.00 0.00 H new ATOM 1433 N SER B 39 86.398 -16.049 34.302 1.00 0.00 N ATOM 1434 CA SER B 39 85.560 -17.081 33.616 1.00 0.00 C ATOM 1435 C SER B 39 85.353 -18.267 34.554 1.00 0.00 C ATOM 1436 O SER B 39 84.268 -18.803 34.664 1.00 0.00 O ATOM 1437 CB SER B 39 86.275 -17.560 32.351 1.00 0.00 C ATOM 1438 OG SER B 39 86.616 -16.437 31.549 1.00 0.00 O ATOM 0 H SER B 39 87.406 -16.163 34.192 1.00 0.00 H new ATOM 0 HA SER B 39 84.596 -16.648 33.350 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.173 -18.118 32.616 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.632 -18.239 31.791 1.00 0.00 H new ATOM 0 HG SER B 39 87.331 -15.928 31.986 1.00 0.00 H new ATOM 1444 N CYS B 40 86.378 -18.673 35.243 1.00 0.00 N ATOM 1445 CA CYS B 40 86.231 -19.813 36.186 1.00 0.00 C ATOM 1446 C CYS B 40 85.170 -19.450 37.229 1.00 0.00 C ATOM 1447 O CYS B 40 85.207 -18.390 37.821 1.00 0.00 O ATOM 1448 CB CYS B 40 87.571 -20.071 36.873 1.00 0.00 C ATOM 1449 SG CYS B 40 87.526 -21.667 37.723 1.00 0.00 S ATOM 0 H CYS B 40 87.312 -18.265 35.195 1.00 0.00 H new ATOM 0 HA CYS B 40 85.926 -20.712 35.651 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.375 -20.063 36.137 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.784 -19.275 37.586 1.00 0.00 H new ATOM 1454 N ASP B 41 84.217 -20.313 37.444 1.00 0.00 N ATOM 1455 CA ASP B 41 83.140 -20.013 38.433 1.00 0.00 C ATOM 1456 C ASP B 41 83.660 -20.165 39.865 1.00 0.00 C ATOM 1457 O ASP B 41 83.261 -19.443 40.756 1.00 0.00 O ATOM 1458 CB ASP B 41 81.971 -20.977 38.222 1.00 0.00 C ATOM 1459 CG ASP B 41 81.265 -20.644 36.908 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.467 -19.550 36.412 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.528 -21.488 36.424 1.00 0.00 O ATOM 0 H ASP B 41 84.136 -21.216 36.977 1.00 0.00 H new ATOM 0 HA ASP B 41 82.812 -18.984 38.284 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.333 -22.005 38.202 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.270 -20.902 39.053 1.00 0.00 H new ATOM 1466 N LYS B 42 84.518 -21.114 40.101 1.00 0.00 N ATOM 1467 CA LYS B 42 85.026 -21.327 41.487 1.00 0.00 C ATOM 1468 C LYS B 42 85.958 -20.187 41.911 1.00 0.00 C ATOM 1469 O LYS B 42 85.886 -19.704 43.025 1.00 0.00 O ATOM 1470 CB LYS B 42 85.796 -22.653 41.533 1.00 0.00 C ATOM 1471 CG LYS B 42 84.834 -23.832 41.291 1.00 0.00 C ATOM 1472 CD LYS B 42 84.156 -24.259 42.612 1.00 0.00 C ATOM 1473 CE LYS B 42 85.022 -25.302 43.328 1.00 0.00 C ATOM 1474 NZ LYS B 42 84.503 -25.514 44.709 1.00 0.00 N ATOM 0 H LYS B 42 84.891 -21.752 39.398 1.00 0.00 H new ATOM 0 HA LYS B 42 84.179 -21.352 42.172 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.581 -22.653 40.777 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.285 -22.765 42.501 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.076 -23.546 40.562 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.381 -24.674 40.868 1.00 0.00 H new ATOM 0 HD2 LYS B 42 84.012 -23.390 43.254 1.00 0.00 H new ATOM 0 HD3 LYS B 42 83.168 -24.672 42.407 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.010 -26.241 42.775 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.058 -24.967 43.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.090 -26.221 45.196 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.536 -24.617 45.234 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.521 -25.852 44.663 1.00 0.00 H new ATOM 1488 N CYS B 43 86.840 -19.750 41.051 1.00 0.00 N ATOM 1489 CA CYS B 43 87.765 -18.648 41.447 1.00 0.00 C ATOM 1490 C CYS B 43 87.066 -17.292 41.328 1.00 0.00 C ATOM 1491 O CYS B 43 87.373 -16.367 42.053 1.00 0.00 O ATOM 1492 CB CYS B 43 89.009 -18.663 40.556 1.00 0.00 C ATOM 1493 SG CYS B 43 89.881 -20.237 40.762 1.00 0.00 S ATOM 0 H CYS B 43 86.959 -20.104 40.102 1.00 0.00 H new ATOM 0 HA CYS B 43 88.061 -18.803 42.485 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.724 -18.527 39.513 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.667 -17.834 40.817 1.00 0.00 H new ATOM 1498 N GLN B 44 86.137 -17.148 40.421 1.00 0.00 N ATOM 1499 CA GLN B 44 85.456 -15.827 40.285 1.00 0.00 C ATOM 1500 C GLN B 44 84.507 -15.592 41.461 1.00 0.00 C ATOM 1501 O GLN B 44 84.646 -14.639 42.201 1.00 0.00 O ATOM 1502 CB GLN B 44 84.661 -15.767 38.979 1.00 0.00 C ATOM 1503 CG GLN B 44 84.124 -14.345 38.802 1.00 0.00 C ATOM 1504 CD GLN B 44 83.492 -14.184 37.419 1.00 0.00 C ATOM 1505 OE1 GLN B 44 82.854 -15.089 36.917 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.640 -13.053 36.781 1.00 0.00 N ATOM 0 H GLN B 44 85.824 -17.875 39.778 1.00 0.00 H new ATOM 0 HA GLN B 44 86.222 -15.052 40.278 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.296 -16.040 38.136 1.00 0.00 H new ATOM 0 HB3 GLN B 44 83.839 -16.482 39.003 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.385 -14.129 39.574 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.933 -13.625 38.925 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.176 -12.295 37.204 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.220 -12.928 35.860 1.00 0.00 H new ATOM 1515 N LEU B 45 83.536 -16.448 41.637 1.00 0.00 N ATOM 1516 CA LEU B 45 82.575 -16.261 42.765 1.00 0.00 C ATOM 1517 C LEU B 45 83.151 -16.887 44.036 1.00 0.00 C ATOM 1518 O LEU B 45 83.572 -18.027 44.044 1.00 0.00 O ATOM 1519 CB LEU B 45 81.243 -16.943 42.432 1.00 0.00 C ATOM 1520 CG LEU B 45 80.643 -16.351 41.149 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.373 -17.128 40.790 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.291 -14.867 41.356 1.00 0.00 C ATOM 0 H LEU B 45 83.366 -17.266 41.052 1.00 0.00 H new ATOM 0 HA LEU B 45 82.410 -15.195 42.919 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.397 -18.015 42.308 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.545 -16.815 43.260 1.00 0.00 H new ATOM 0 HG LEU B 45 81.373 -16.429 40.344 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.939 -16.715 39.879 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.621 -18.177 40.630 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.654 -17.046 41.605 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.867 -14.462 40.437 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.564 -14.775 42.163 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.193 -14.312 41.615 1.00 0.00 H new ATOM 1534 N LYS B 46 83.167 -16.151 45.110 1.00 0.00 N ATOM 1535 CA LYS B 46 83.705 -16.701 46.385 1.00 0.00 C ATOM 1536 C LYS B 46 82.643 -17.595 47.031 1.00 0.00 C ATOM 1537 O LYS B 46 81.462 -17.322 46.952 1.00 0.00 O ATOM 1538 CB LYS B 46 84.060 -15.544 47.322 1.00 0.00 C ATOM 1539 CG LYS B 46 84.676 -16.091 48.611 1.00 0.00 C ATOM 1540 CD LYS B 46 85.134 -14.923 49.487 1.00 0.00 C ATOM 1541 CE LYS B 46 85.772 -15.461 50.768 1.00 0.00 C ATOM 1542 NZ LYS B 46 86.953 -16.301 50.419 1.00 0.00 N ATOM 0 H LYS B 46 82.830 -15.190 45.161 1.00 0.00 H new ATOM 0 HA LYS B 46 84.601 -17.291 46.191 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.761 -14.869 46.831 1.00 0.00 H new ATOM 0 HB3 LYS B 46 83.167 -14.964 47.553 1.00 0.00 H new ATOM 0 HG2 LYS B 46 83.947 -16.699 49.147 1.00 0.00 H new ATOM 0 HG3 LYS B 46 85.521 -16.739 48.378 1.00 0.00 H new ATOM 0 HD2 LYS B 46 85.850 -14.307 48.943 1.00 0.00 H new ATOM 0 HD3 LYS B 46 84.285 -14.285 49.732 1.00 0.00 H new ATOM 0 HE2 LYS B 46 86.077 -14.635 51.410 1.00 0.00 H new ATOM 0 HE3 LYS B 46 85.046 -16.050 51.329 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 87.575 -16.386 51.248 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 86.633 -17.247 50.128 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 87.476 -15.857 49.638 1.00 0.00 H new ATOM 1556 N GLY B 47 83.047 -18.666 47.661 1.00 0.00 N ATOM 1557 CA GLY B 47 82.045 -19.571 48.295 1.00 0.00 C ATOM 1558 C GLY B 47 81.162 -18.767 49.248 1.00 0.00 C ATOM 1559 O GLY B 47 79.949 -18.826 49.185 1.00 0.00 O ATOM 0 H GLY B 47 84.021 -18.952 47.764 1.00 0.00 H new ATOM 0 HA2 GLY B 47 81.433 -20.046 47.529 1.00 0.00 H new ATOM 0 HA3 GLY B 47 82.552 -20.369 48.838 1.00 0.00 H new ATOM 1563 N GLU B 48 81.757 -18.005 50.123 1.00 0.00 N ATOM 1564 CA GLU B 48 80.950 -17.185 51.073 1.00 0.00 C ATOM 1565 C GLU B 48 80.559 -15.878 50.382 1.00 0.00 C ATOM 1566 O GLU B 48 81.315 -15.331 49.605 1.00 0.00 O ATOM 1567 CB GLU B 48 81.789 -16.877 52.314 1.00 0.00 C ATOM 1568 CG GLU B 48 82.052 -18.173 53.084 1.00 0.00 C ATOM 1569 CD GLU B 48 82.925 -17.875 54.304 1.00 0.00 C ATOM 1570 OE1 GLU B 48 82.407 -17.315 55.256 1.00 0.00 O ATOM 1571 OE2 GLU B 48 84.099 -18.208 54.264 1.00 0.00 O ATOM 0 H GLU B 48 82.768 -17.914 50.222 1.00 0.00 H new ATOM 0 HA GLU B 48 80.054 -17.729 51.371 1.00 0.00 H new ATOM 0 HB2 GLU B 48 82.733 -16.416 52.023 1.00 0.00 H new ATOM 0 HB3 GLU B 48 81.268 -16.162 52.951 1.00 0.00 H new ATOM 0 HG2 GLU B 48 81.109 -18.619 53.399 1.00 0.00 H new ATOM 0 HG3 GLU B 48 82.547 -18.898 52.438 1.00 0.00 H new ATOM 1578 N ALA B 49 79.387 -15.369 50.649 1.00 0.00 N ATOM 1579 CA ALA B 49 78.972 -14.100 49.990 1.00 0.00 C ATOM 1580 C ALA B 49 77.775 -13.497 50.724 1.00 0.00 C ATOM 1581 O ALA B 49 77.117 -12.606 50.226 1.00 0.00 O ATOM 1582 CB ALA B 49 78.587 -14.385 48.537 1.00 0.00 C ATOM 0 H ALA B 49 78.704 -15.774 51.290 1.00 0.00 H new ATOM 0 HA ALA B 49 79.802 -13.394 50.019 1.00 0.00 H new ATOM 0 HB1 ALA B 49 78.283 -13.457 48.053 1.00 0.00 H new ATOM 0 HB2 ALA B 49 79.443 -14.806 48.010 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.760 -15.095 48.512 1.00 0.00 H new ATOM 1588 N MET B 50 77.487 -13.964 51.907 1.00 0.00 N ATOM 1589 CA MET B 50 76.336 -13.398 52.664 1.00 0.00 C ATOM 1590 C MET B 50 76.773 -12.076 53.304 1.00 0.00 C ATOM 1591 O MET B 50 76.742 -11.033 52.680 1.00 0.00 O ATOM 1592 CB MET B 50 75.918 -14.384 53.756 1.00 0.00 C ATOM 1593 CG MET B 50 75.296 -15.621 53.110 1.00 0.00 C ATOM 1594 SD MET B 50 74.937 -16.856 54.383 1.00 0.00 S ATOM 1595 CE MET B 50 76.548 -17.679 54.360 1.00 0.00 C ATOM 0 H MET B 50 77.996 -14.710 52.381 1.00 0.00 H new ATOM 0 HA MET B 50 75.493 -13.224 51.995 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.783 -14.669 54.355 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.203 -13.914 54.432 1.00 0.00 H new ATOM 0 HG2 MET B 50 74.380 -15.348 52.585 1.00 0.00 H new ATOM 0 HG3 MET B 50 75.977 -16.037 52.367 1.00 0.00 H new ATOM 0 HE1 MET B 50 76.551 -18.492 55.086 1.00 0.00 H new ATOM 0 HE2 MET B 50 76.738 -18.080 53.364 1.00 0.00 H new ATOM 0 HE3 MET B 50 77.327 -16.961 54.616 1.00 0.00 H new ATOM 1605 N HIS B 51 77.201 -12.114 54.538 1.00 0.00 N ATOM 1606 CA HIS B 51 77.664 -10.867 55.217 1.00 0.00 C ATOM 1607 C HIS B 51 79.144 -10.635 54.886 1.00 0.00 C ATOM 1608 O HIS B 51 79.888 -11.568 54.665 1.00 0.00 O ATOM 1609 CB HIS B 51 77.492 -11.023 56.729 1.00 0.00 C ATOM 1610 CG HIS B 51 76.026 -11.115 57.055 1.00 0.00 C ATOM 1611 ND1 HIS B 51 75.360 -12.331 57.135 1.00 0.00 N ATOM 1612 CD2 HIS B 51 75.081 -10.152 57.311 1.00 0.00 C ATOM 1613 CE1 HIS B 51 74.072 -12.069 57.425 1.00 0.00 C ATOM 1614 NE2 HIS B 51 73.851 -10.759 57.542 1.00 0.00 N ATOM 0 H HIS B 51 77.250 -12.959 55.108 1.00 0.00 H new ATOM 0 HA HIS B 51 77.077 -10.016 54.873 1.00 0.00 H new ATOM 0 HB2 HIS B 51 78.010 -11.917 57.075 1.00 0.00 H new ATOM 0 HB3 HIS B 51 77.939 -10.175 57.247 1.00 0.00 H new ATOM 0 HD2 HIS B 51 75.264 -9.088 57.330 1.00 0.00 H new ATOM 0 HE1 HIS B 51 73.312 -12.826 57.548 1.00 0.00 H new ATOM 0 HE2 HIS B 51 72.966 -10.299 57.756 1.00 0.00 H new ATOM 1623 N GLY B 52 79.582 -9.400 54.853 1.00 0.00 N ATOM 1624 CA GLY B 52 81.021 -9.124 54.537 1.00 0.00 C ATOM 1625 C GLY B 52 81.148 -7.801 53.775 1.00 0.00 C ATOM 1626 O GLY B 52 81.097 -7.767 52.561 1.00 0.00 O ATOM 0 H GLY B 52 79.010 -8.574 55.030 1.00 0.00 H new ATOM 0 HA2 GLY B 52 81.602 -9.079 55.458 1.00 0.00 H new ATOM 0 HA3 GLY B 52 81.433 -9.938 53.940 1.00 0.00 H new ATOM 1630 N GLN B 53 81.316 -6.714 54.477 1.00 0.00 N ATOM 1631 CA GLN B 53 81.450 -5.395 53.792 1.00 0.00 C ATOM 1632 C GLN B 53 82.827 -5.276 53.133 1.00 0.00 C ATOM 1633 O GLN B 53 82.969 -4.681 52.084 1.00 0.00 O ATOM 1634 CB GLN B 53 81.277 -4.268 54.812 1.00 0.00 C ATOM 1635 CG GLN B 53 79.819 -4.209 55.274 1.00 0.00 C ATOM 1636 CD GLN B 53 78.937 -3.731 54.119 1.00 0.00 C ATOM 1637 OE1 GLN B 53 77.913 -4.322 53.838 1.00 0.00 O ATOM 1638 NE2 GLN B 53 79.300 -2.687 53.424 1.00 0.00 N ATOM 0 H GLN B 53 81.366 -6.681 55.495 1.00 0.00 H new ATOM 0 HA GLN B 53 80.681 -5.318 53.024 1.00 0.00 H new ATOM 0 HB2 GLN B 53 81.933 -4.434 55.667 1.00 0.00 H new ATOM 0 HB3 GLN B 53 81.567 -3.315 54.368 1.00 0.00 H new ATOM 0 HG2 GLN B 53 79.493 -5.193 55.611 1.00 0.00 H new ATOM 0 HG3 GLN B 53 79.723 -3.533 56.123 1.00 0.00 H new ATOM 0 HE21 GLN B 53 80.159 -2.191 53.660 1.00 0.00 H new ATOM 0 HE22 GLN B 53 78.724 -2.367 52.645 1.00 0.00 H new ATOM 1647 N VAL B 54 83.845 -5.830 53.744 1.00 0.00 N ATOM 1648 CA VAL B 54 85.222 -5.743 53.161 1.00 0.00 C ATOM 1649 C VAL B 54 85.926 -7.093 53.306 1.00 0.00 C ATOM 1650 O VAL B 54 87.070 -7.252 52.925 1.00 0.00 O ATOM 1651 CB VAL B 54 86.021 -4.665 53.901 1.00 0.00 C ATOM 1652 CG1 VAL B 54 85.298 -3.322 53.778 1.00 0.00 C ATOM 1653 CG2 VAL B 54 86.145 -5.043 55.379 1.00 0.00 C ATOM 0 H VAL B 54 83.782 -6.341 54.625 1.00 0.00 H new ATOM 0 HA VAL B 54 85.154 -5.484 52.104 1.00 0.00 H new ATOM 0 HB VAL B 54 87.016 -4.586 53.463 1.00 0.00 H new ATOM 0 HG11 VAL B 54 85.865 -2.554 54.304 1.00 0.00 H new ATOM 0 HG12 VAL B 54 85.210 -3.051 52.726 1.00 0.00 H new ATOM 0 HG13 VAL B 54 84.303 -3.403 54.217 1.00 0.00 H new ATOM 0 HG21 VAL B 54 86.713 -4.276 55.904 1.00 0.00 H new ATOM 0 HG22 VAL B 54 85.151 -5.123 55.819 1.00 0.00 H new ATOM 0 HG23 VAL B 54 86.659 -6.000 55.468 1.00 0.00 H new ATOM 1663 N ASP B 55 85.251 -8.071 53.846 1.00 0.00 N ATOM 1664 CA ASP B 55 85.877 -9.417 54.008 1.00 0.00 C ATOM 1665 C ASP B 55 85.641 -10.241 52.742 1.00 0.00 C ATOM 1666 O ASP B 55 84.934 -11.231 52.826 1.00 0.00 O ATOM 1667 CB ASP B 55 85.242 -10.129 55.204 1.00 0.00 C ATOM 1668 CG ASP B 55 85.680 -9.443 56.499 1.00 0.00 C ATOM 1669 OD1 ASP B 55 86.802 -8.969 56.546 1.00 0.00 O ATOM 1670 OD2 ASP B 55 84.882 -9.401 57.423 1.00 0.00 O ATOM 1671 OXT ASP B 55 86.170 -9.867 51.708 1.00 0.00 O ATOM 0 H ASP B 55 84.291 -7.997 54.183 1.00 0.00 H new ATOM 0 HA ASP B 55 86.948 -9.305 54.176 1.00 0.00 H new ATOM 0 HB2 ASP B 55 84.156 -10.108 55.118 1.00 0.00 H new ATOM 0 HB3 ASP B 55 85.540 -11.177 55.217 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.803 -1.556 35.907 1.00 0.00 CD HETATM 1678 CD CD B 56 89.955 -21.753 38.656 1.00 0.00 CD