USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 12 HIS HE2 : A 12 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HE2 : B 12 HIS NE2 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Set 1.1: B 51 HIS : no HD1:sc= 0.376 K(o=1.6,f=-5!) USER MOD Set 1.2: B 53 GLN :FLIP amide:sc= 1.25 F(o=0.75,f=1.6) USER MOD Set 2.1: A 44 GLN : amide:sc= -1.05 X(o=-4.8,f=-4.7!) USER MOD Set 2.2: B 44 GLN : amide:sc= -3.77! X(o=-4.8!,f=-4.7) USER MOD Set 3.1: A 51 HIS : no HD1:sc= 0.251 K(o=1.3,f=-4.6!) USER MOD Set 3.2: A 53 GLN :FLIP amide:sc= 1.09 F(o=0.56,f=1.3) USER MOD Single : A 1 PHE N :NH3+ 155:sc= 0.494 (180deg=0.124) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 14 LYS NZ :NH3+ 141:sc= -0.349 (180deg=-1.42!) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.631 USER MOD Single : A 17 SER OG : rot 180:sc= -0.651 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 22 MET CE :methyl -167:sc= -0.82 (180deg=-1.5) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 34 LYS NZ :NH3+ -119:sc= -0.838 (180deg=-3.84!) USER MOD Single : A 39 SER OG : rot 74:sc= 0.236 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0467) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ 152:sc= 0.551 (180deg=0.164) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 14 LYS NZ :NH3+ 149:sc= -0.284 (180deg=-1.42!) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.63 USER MOD Single : B 17 SER OG : rot 180:sc= -0.653 USER MOD Single : B 18 ASN : amide:sc=-0.00758 K(o=-0.0076,f=-1.4!) USER MOD Single : B 22 MET CE :methyl -167:sc= -0.762 (180deg=-1.39) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : B 34 LYS NZ :NH3+ -117:sc= -0.597 (180deg=-3.55!) USER MOD Single : B 39 SER OG : rot 71:sc= 0.256 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0648) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.652 -3.730 24.251 1.00 0.00 N ATOM 2 CA PHE A 1 94.112 -4.298 25.515 1.00 0.00 C ATOM 3 C PHE A 1 93.811 -3.164 26.496 1.00 0.00 C ATOM 4 O PHE A 1 92.676 -2.895 26.824 1.00 0.00 O ATOM 5 CB PHE A 1 95.150 -5.232 26.139 1.00 0.00 C ATOM 6 CG PHE A 1 95.249 -6.514 25.348 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.128 -6.610 24.259 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.475 -7.621 25.720 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.232 -7.811 23.546 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.578 -8.819 25.004 1.00 0.00 C ATOM 11 CZ PHE A 1 95.457 -8.916 23.920 1.00 0.00 C ATOM 0 H1 PHE A 1 95.234 -4.445 23.770 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.865 -3.451 23.632 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.236 -2.897 24.466 1.00 0.00 H new ATOM 0 HA PHE A 1 93.199 -4.852 25.299 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.122 -4.739 26.167 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.875 -5.454 27.170 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.725 -5.757 23.970 1.00 0.00 H new ATOM 0 HD2 PHE A 1 93.799 -7.550 26.559 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.909 -7.885 22.708 1.00 0.00 H new ATOM 0 HE2 PHE A 1 93.978 -9.670 25.289 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.538 -9.843 23.372 1.00 0.00 H new ATOM 23 N LEU A 2 94.830 -2.519 26.986 1.00 0.00 N ATOM 24 CA LEU A 2 94.614 -1.420 27.968 1.00 0.00 C ATOM 25 C LEU A 2 94.067 -0.170 27.270 1.00 0.00 C ATOM 26 O LEU A 2 93.187 0.499 27.773 1.00 0.00 O ATOM 27 CB LEU A 2 95.951 -1.062 28.618 1.00 0.00 C ATOM 28 CG LEU A 2 96.661 -2.333 29.095 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.916 -1.942 29.878 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.723 -3.148 29.993 1.00 0.00 C ATOM 0 H LEU A 2 95.805 -2.705 26.750 1.00 0.00 H new ATOM 0 HA LEU A 2 93.896 -1.758 28.715 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.580 -0.530 27.904 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.786 -0.390 29.460 1.00 0.00 H new ATOM 0 HG LEU A 2 96.940 -2.940 28.234 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.426 -2.842 30.221 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.583 -1.370 29.234 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.634 -1.335 30.738 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.234 -4.050 30.329 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.437 -2.550 30.858 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.830 -3.424 29.431 1.00 0.00 H new ATOM 42 N ASP A 3 94.601 0.166 26.130 1.00 0.00 N ATOM 43 CA ASP A 3 94.137 1.394 25.420 1.00 0.00 C ATOM 44 C ASP A 3 92.657 1.299 25.061 1.00 0.00 C ATOM 45 O ASP A 3 91.884 2.201 25.316 1.00 0.00 O ATOM 46 CB ASP A 3 94.938 1.566 24.131 1.00 0.00 C ATOM 47 CG ASP A 3 94.616 2.929 23.517 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.720 3.586 24.027 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.268 3.293 22.550 1.00 0.00 O ATOM 0 H ASP A 3 95.339 -0.356 25.657 1.00 0.00 H new ATOM 0 HA ASP A 3 94.285 2.245 26.085 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.005 1.491 24.339 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.693 0.770 23.428 1.00 0.00 H new ATOM 54 N GLY A 4 92.256 0.217 24.460 1.00 0.00 N ATOM 55 CA GLY A 4 90.828 0.070 24.067 1.00 0.00 C ATOM 56 C GLY A 4 89.951 -0.019 25.312 1.00 0.00 C ATOM 57 O GLY A 4 88.906 0.597 25.396 1.00 0.00 O ATOM 0 H GLY A 4 92.855 -0.574 24.223 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.521 0.919 23.456 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.700 -0.824 23.457 1.00 0.00 H new ATOM 61 N ILE A 5 90.357 -0.793 26.277 1.00 0.00 N ATOM 62 CA ILE A 5 89.541 -0.930 27.516 1.00 0.00 C ATOM 63 C ILE A 5 89.376 0.429 28.205 1.00 0.00 C ATOM 64 O ILE A 5 88.318 0.744 28.716 1.00 0.00 O ATOM 65 CB ILE A 5 90.213 -1.936 28.457 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.061 -3.345 27.867 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.550 -1.894 29.840 1.00 0.00 C ATOM 68 CD1 ILE A 5 90.919 -4.358 28.643 1.00 0.00 C ATOM 0 H ILE A 5 91.219 -1.338 26.263 1.00 0.00 H new ATOM 0 HA ILE A 5 88.548 -1.294 27.254 1.00 0.00 H new ATOM 0 HB ILE A 5 91.268 -1.681 28.562 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.014 -3.647 27.901 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.357 -3.339 26.818 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.037 -2.613 30.499 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.648 -0.893 30.260 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.494 -2.146 29.745 1.00 0.00 H new ATOM 0 HD11 ILE A 5 90.795 -5.349 28.207 1.00 0.00 H new ATOM 0 HD12 ILE A 5 91.967 -4.065 28.587 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.603 -4.379 29.686 1.00 0.00 H new ATOM 80 N ASP A 6 90.402 1.232 28.244 1.00 0.00 N ATOM 81 CA ASP A 6 90.271 2.551 28.924 1.00 0.00 C ATOM 82 C ASP A 6 89.124 3.341 28.296 1.00 0.00 C ATOM 83 O ASP A 6 88.274 3.871 28.985 1.00 0.00 O ATOM 84 CB ASP A 6 91.576 3.334 28.770 1.00 0.00 C ATOM 85 CG ASP A 6 92.673 2.646 29.585 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.341 1.755 30.350 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.823 3.021 29.430 1.00 0.00 O ATOM 0 H ASP A 6 91.317 1.035 27.839 1.00 0.00 H new ATOM 0 HA ASP A 6 90.063 2.394 29.982 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.863 3.383 27.720 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.441 4.360 29.112 1.00 0.00 H new ATOM 92 N LYS A 7 89.077 3.408 26.995 1.00 0.00 N ATOM 93 CA LYS A 7 87.962 4.146 26.340 1.00 0.00 C ATOM 94 C LYS A 7 86.659 3.377 26.558 1.00 0.00 C ATOM 95 O LYS A 7 85.616 3.954 26.805 1.00 0.00 O ATOM 96 CB LYS A 7 88.228 4.289 24.835 1.00 0.00 C ATOM 97 CG LYS A 7 89.531 5.061 24.593 1.00 0.00 C ATOM 98 CD LYS A 7 89.637 5.412 23.102 1.00 0.00 C ATOM 99 CE LYS A 7 90.953 6.145 22.827 1.00 0.00 C ATOM 100 NZ LYS A 7 91.019 6.520 21.386 1.00 0.00 N ATOM 0 H LYS A 7 89.757 2.987 26.361 1.00 0.00 H new ATOM 0 HA LYS A 7 87.885 5.141 26.777 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.291 3.303 24.375 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.396 4.809 24.360 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.547 5.969 25.195 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.387 4.460 24.900 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.585 4.504 22.502 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.795 6.037 22.807 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.022 7.037 23.450 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.798 5.508 23.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.912 7.018 21.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 90.971 5.661 20.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.220 7.143 21.152 1.00 0.00 H new ATOM 114 N ALA A 8 86.709 2.077 26.470 1.00 0.00 N ATOM 115 CA ALA A 8 85.476 1.270 26.678 1.00 0.00 C ATOM 116 C ALA A 8 85.054 1.340 28.143 1.00 0.00 C ATOM 117 O ALA A 8 83.882 1.367 28.461 1.00 0.00 O ATOM 118 CB ALA A 8 85.731 -0.187 26.285 1.00 0.00 C ATOM 0 H ALA A 8 87.551 1.539 26.263 1.00 0.00 H new ATOM 0 HA ALA A 8 84.679 1.674 26.053 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.823 -0.770 26.441 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.018 -0.236 25.235 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.534 -0.594 26.900 1.00 0.00 H new ATOM 124 N GLN A 9 85.999 1.360 29.039 1.00 0.00 N ATOM 125 CA GLN A 9 85.638 1.415 30.476 1.00 0.00 C ATOM 126 C GLN A 9 84.771 2.643 30.734 1.00 0.00 C ATOM 127 O GLN A 9 83.796 2.579 31.457 1.00 0.00 O ATOM 128 CB GLN A 9 86.907 1.492 31.323 1.00 0.00 C ATOM 129 CG GLN A 9 86.534 1.306 32.792 1.00 0.00 C ATOM 130 CD GLN A 9 87.791 1.365 33.660 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.756 2.014 33.313 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.815 0.706 34.785 1.00 0.00 N ATOM 0 H GLN A 9 86.999 1.341 28.838 1.00 0.00 H new ATOM 0 HA GLN A 9 85.083 0.517 30.746 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.614 0.722 31.013 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.399 2.454 31.178 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.833 2.082 33.099 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.031 0.349 32.930 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.003 0.161 35.074 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.646 0.735 35.376 1.00 0.00 H new ATOM 141 N GLU A 10 85.097 3.761 30.146 1.00 0.00 N ATOM 142 CA GLU A 10 84.258 4.965 30.368 1.00 0.00 C ATOM 143 C GLU A 10 82.841 4.683 29.853 1.00 0.00 C ATOM 144 O GLU A 10 81.865 5.030 30.481 1.00 0.00 O ATOM 145 CB GLU A 10 84.865 6.161 29.631 1.00 0.00 C ATOM 146 CG GLU A 10 84.136 7.440 30.048 1.00 0.00 C ATOM 147 CD GLU A 10 84.640 8.612 29.204 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.578 8.412 28.449 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.076 9.687 29.323 1.00 0.00 O ATOM 0 H GLU A 10 85.899 3.890 29.529 1.00 0.00 H new ATOM 0 HA GLU A 10 84.216 5.200 31.432 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.927 6.243 29.862 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.783 6.018 28.554 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.061 7.318 29.916 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.306 7.640 31.106 1.00 0.00 H new ATOM 156 N GLU A 11 82.726 4.034 28.723 1.00 0.00 N ATOM 157 CA GLU A 11 81.370 3.711 28.188 1.00 0.00 C ATOM 158 C GLU A 11 80.658 2.811 29.196 1.00 0.00 C ATOM 159 O GLU A 11 79.484 2.970 29.470 1.00 0.00 O ATOM 160 CB GLU A 11 81.519 2.978 26.845 1.00 0.00 C ATOM 161 CG GLU A 11 80.216 3.068 26.040 1.00 0.00 C ATOM 162 CD GLU A 11 80.032 4.493 25.509 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.877 5.325 25.790 1.00 0.00 O ATOM 164 OE2 GLU A 11 79.042 4.729 24.837 1.00 0.00 O ATOM 0 H GLU A 11 83.508 3.715 28.151 1.00 0.00 H new ATOM 0 HA GLU A 11 80.792 4.622 28.033 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.338 3.415 26.274 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.775 1.933 27.020 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.241 2.361 25.211 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.369 2.792 26.669 1.00 0.00 H new ATOM 171 N HIS A 12 81.371 1.874 29.758 1.00 0.00 N ATOM 172 CA HIS A 12 80.754 0.967 30.759 1.00 0.00 C ATOM 173 C HIS A 12 80.260 1.775 31.955 1.00 0.00 C ATOM 174 O HIS A 12 79.150 1.618 32.409 1.00 0.00 O ATOM 175 CB HIS A 12 81.777 -0.054 31.253 1.00 0.00 C ATOM 176 CG HIS A 12 81.070 -0.961 32.211 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.732 -2.280 31.889 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.514 -0.714 33.438 1.00 0.00 C ATOM 179 CE1 HIS A 12 79.983 -2.764 32.906 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.841 -1.841 33.845 1.00 0.00 N ATOM 0 H HIS A 12 82.357 1.699 29.565 1.00 0.00 H new ATOM 0 HA HIS A 12 79.920 0.450 30.284 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.188 -0.621 30.418 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.614 0.445 31.742 1.00 0.00 H new ATOM 0 HD1 HIS A 12 81.001 -2.783 31.044 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.591 0.210 33.992 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.562 -3.758 32.946 1.00 0.00 H new ATOM 188 N GLU A 13 81.092 2.615 32.490 1.00 0.00 N ATOM 189 CA GLU A 13 80.676 3.411 33.676 1.00 0.00 C ATOM 190 C GLU A 13 79.456 4.270 33.332 1.00 0.00 C ATOM 191 O GLU A 13 78.550 4.424 34.127 1.00 0.00 O ATOM 192 CB GLU A 13 81.839 4.315 34.103 1.00 0.00 C ATOM 193 CG GLU A 13 81.517 4.974 35.450 1.00 0.00 C ATOM 194 CD GLU A 13 81.687 3.953 36.575 1.00 0.00 C ATOM 195 OE1 GLU A 13 82.035 2.822 36.276 1.00 0.00 O ATOM 196 OE2 GLU A 13 81.469 4.323 37.720 1.00 0.00 O ATOM 0 H GLU A 13 82.042 2.787 32.160 1.00 0.00 H new ATOM 0 HA GLU A 13 80.412 2.737 34.491 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.755 3.730 34.184 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.014 5.080 33.346 1.00 0.00 H new ATOM 0 HG2 GLU A 13 82.176 5.826 35.616 1.00 0.00 H new ATOM 0 HG3 GLU A 13 80.496 5.357 35.444 1.00 0.00 H new ATOM 203 N LYS A 14 79.434 4.846 32.167 1.00 0.00 N ATOM 204 CA LYS A 14 78.287 5.719 31.786 1.00 0.00 C ATOM 205 C LYS A 14 76.952 4.958 31.784 1.00 0.00 C ATOM 206 O LYS A 14 75.937 5.513 32.150 1.00 0.00 O ATOM 207 CB LYS A 14 78.528 6.305 30.393 1.00 0.00 C ATOM 208 CG LYS A 14 79.672 7.326 30.459 1.00 0.00 C ATOM 209 CD LYS A 14 80.074 7.763 29.039 1.00 0.00 C ATOM 210 CE LYS A 14 79.085 8.805 28.510 1.00 0.00 C ATOM 211 NZ LYS A 14 79.023 9.957 29.452 1.00 0.00 N ATOM 0 H LYS A 14 80.161 4.752 31.458 1.00 0.00 H new ATOM 0 HA LYS A 14 78.221 6.512 32.531 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.776 5.510 29.690 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.620 6.783 30.026 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.362 8.194 31.041 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.530 6.890 30.970 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.082 8.179 29.050 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.093 6.898 28.376 1.00 0.00 H new ATOM 0 HE2 LYS A 14 79.394 9.146 27.522 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.096 8.360 28.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.954 10.843 28.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.189 9.859 30.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.883 9.974 30.037 1.00 0.00 H new ATOM 225 N TYR A 15 76.922 3.722 31.327 1.00 0.00 N ATOM 226 CA TYR A 15 75.609 2.980 31.252 1.00 0.00 C ATOM 227 C TYR A 15 75.703 1.545 31.812 1.00 0.00 C ATOM 228 O TYR A 15 74.724 0.830 31.821 1.00 0.00 O ATOM 229 CB TYR A 15 75.203 2.895 29.774 1.00 0.00 C ATOM 230 CG TYR A 15 75.470 4.221 29.094 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.493 5.224 29.102 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.696 4.440 28.443 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.739 6.445 28.466 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.939 5.661 27.805 1.00 0.00 C ATOM 235 CZ TYR A 15 75.962 6.664 27.817 1.00 0.00 C ATOM 236 OH TYR A 15 76.201 7.869 27.189 1.00 0.00 O ATOM 0 H TYR A 15 77.737 3.199 31.006 1.00 0.00 H new ATOM 0 HA TYR A 15 74.880 3.521 31.855 1.00 0.00 H new ATOM 0 HB2 TYR A 15 75.763 2.102 29.278 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.147 2.639 29.691 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.549 5.055 29.599 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.450 3.667 28.435 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.986 7.220 28.475 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.880 5.830 27.303 1.00 0.00 H new ATOM 0 HH TYR A 15 75.709 8.581 27.649 1.00 0.00 H new ATOM 246 N HIS A 16 76.857 1.098 32.222 1.00 0.00 N ATOM 247 CA HIS A 16 76.974 -0.311 32.718 1.00 0.00 C ATOM 248 C HIS A 16 76.434 -1.223 31.625 1.00 0.00 C ATOM 249 O HIS A 16 75.632 -2.104 31.865 1.00 0.00 O ATOM 250 CB HIS A 16 76.169 -0.532 34.008 1.00 0.00 C ATOM 251 CG HIS A 16 76.796 0.204 35.162 1.00 0.00 C ATOM 252 ND1 HIS A 16 77.869 -0.288 35.886 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.497 1.404 35.766 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.187 0.567 36.861 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.376 1.626 36.836 1.00 0.00 N ATOM 0 H HIS A 16 77.721 1.639 32.237 1.00 0.00 H new ATOM 0 HA HIS A 16 78.018 -0.527 32.946 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.144 -0.189 33.866 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.120 -1.597 34.234 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.706 2.073 35.462 1.00 0.00 H new ATOM 0 HE1 HIS A 16 78.988 0.422 37.570 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.392 2.430 37.464 1.00 0.00 H new ATOM 263 N SER A 17 76.852 -0.990 30.414 1.00 0.00 N ATOM 264 CA SER A 17 76.356 -1.804 29.279 1.00 0.00 C ATOM 265 C SER A 17 76.838 -3.247 29.417 1.00 0.00 C ATOM 266 O SER A 17 77.844 -3.522 30.037 1.00 0.00 O ATOM 267 CB SER A 17 76.882 -1.205 27.977 1.00 0.00 C ATOM 268 OG SER A 17 78.295 -1.354 27.926 1.00 0.00 O ATOM 0 H SER A 17 77.522 -0.263 30.163 1.00 0.00 H new ATOM 0 HA SER A 17 75.266 -1.801 29.275 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.422 -1.702 27.123 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.614 -0.150 27.915 1.00 0.00 H new ATOM 0 HG SER A 17 78.634 -0.972 27.090 1.00 0.00 H new ATOM 274 N ASN A 18 76.123 -4.177 28.840 1.00 0.00 N ATOM 275 CA ASN A 18 76.539 -5.604 28.936 1.00 0.00 C ATOM 276 C ASN A 18 77.792 -5.811 28.086 1.00 0.00 C ATOM 277 O ASN A 18 78.091 -5.031 27.203 1.00 0.00 O ATOM 278 CB ASN A 18 75.409 -6.503 28.433 1.00 0.00 C ATOM 279 CG ASN A 18 74.172 -6.307 29.314 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.276 -5.840 30.430 1.00 0.00 O ATOM 281 ND2 ASN A 18 72.998 -6.640 28.855 1.00 0.00 N ATOM 0 H ASN A 18 75.270 -4.008 28.307 1.00 0.00 H new ATOM 0 HA ASN A 18 76.756 -5.860 29.973 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.172 -6.263 27.396 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.723 -7.547 28.455 1.00 0.00 H new ATOM 0 HD21 ASN A 18 72.168 -6.508 29.433 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.909 -7.032 27.918 1.00 0.00 H new ATOM 288 N TRP A 19 78.536 -6.847 28.357 1.00 0.00 N ATOM 289 CA TRP A 19 79.780 -7.092 27.575 1.00 0.00 C ATOM 290 C TRP A 19 79.447 -7.223 26.083 1.00 0.00 C ATOM 291 O TRP A 19 80.263 -6.923 25.231 1.00 0.00 O ATOM 292 CB TRP A 19 80.481 -8.352 28.101 1.00 0.00 C ATOM 293 CG TRP A 19 79.727 -9.577 27.705 1.00 0.00 C ATOM 294 CD1 TRP A 19 78.911 -10.288 28.513 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.726 -10.252 26.421 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.403 -11.359 27.799 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.873 -11.377 26.501 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.371 -9.992 25.201 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.675 -12.220 25.409 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.174 -10.836 24.100 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.327 -11.948 24.202 1.00 0.00 C ATOM 0 H TRP A 19 78.337 -7.533 29.085 1.00 0.00 H new ATOM 0 HA TRP A 19 80.458 -6.247 27.694 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.496 -8.401 27.708 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.562 -8.303 29.187 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.691 -10.059 29.545 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.760 -12.051 28.185 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.023 -9.136 25.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.023 -13.077 25.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.678 -10.628 23.167 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.178 -12.594 23.349 1.00 0.00 H new ATOM 312 N ARG A 20 78.262 -7.662 25.755 1.00 0.00 N ATOM 313 CA ARG A 20 77.889 -7.799 24.313 1.00 0.00 C ATOM 314 C ARG A 20 77.866 -6.429 23.642 1.00 0.00 C ATOM 315 O ARG A 20 78.274 -6.272 22.510 1.00 0.00 O ATOM 316 CB ARG A 20 76.491 -8.414 24.194 1.00 0.00 C ATOM 317 CG ARG A 20 76.496 -9.835 24.758 1.00 0.00 C ATOM 318 CD ARG A 20 75.095 -10.438 24.628 1.00 0.00 C ATOM 319 NE ARG A 20 75.058 -11.773 25.289 1.00 0.00 N ATOM 320 CZ ARG A 20 73.913 -12.314 25.612 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.797 -11.699 25.342 1.00 0.00 N ATOM 322 NH2 ARG A 20 73.888 -13.477 26.201 1.00 0.00 N ATOM 0 H ARG A 20 77.536 -7.932 26.419 1.00 0.00 H new ATOM 0 HA ARG A 20 78.626 -8.438 23.828 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.768 -7.802 24.734 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.179 -8.429 23.150 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.219 -10.449 24.221 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.803 -9.822 25.804 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.360 -9.775 25.085 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.827 -10.535 23.576 1.00 0.00 H new ATOM 0 HE ARG A 20 75.928 -12.266 25.490 1.00 0.00 H new ATOM 0 HH11 ARG A 20 72.814 -10.792 24.877 1.00 0.00 H new ATOM 0 HH12 ARG A 20 71.906 -12.125 25.596 1.00 0.00 H new ATOM 0 HH21 ARG A 20 74.761 -13.962 26.409 1.00 0.00 H new ATOM 0 HH22 ARG A 20 72.996 -13.901 26.454 1.00 0.00 H new ATOM 336 N ALA A 21 77.374 -5.440 24.324 1.00 0.00 N ATOM 337 CA ALA A 21 77.308 -4.090 23.714 1.00 0.00 C ATOM 338 C ALA A 21 78.717 -3.522 23.559 1.00 0.00 C ATOM 339 O ALA A 21 79.064 -2.973 22.535 1.00 0.00 O ATOM 340 CB ALA A 21 76.455 -3.182 24.606 1.00 0.00 C ATOM 0 H ALA A 21 77.015 -5.507 25.276 1.00 0.00 H new ATOM 0 HA ALA A 21 76.853 -4.150 22.725 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.401 -2.186 24.166 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.450 -3.596 24.692 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.906 -3.117 25.596 1.00 0.00 H new ATOM 346 N MET A 22 79.530 -3.641 24.567 1.00 0.00 N ATOM 347 CA MET A 22 80.913 -3.102 24.463 1.00 0.00 C ATOM 348 C MET A 22 81.671 -3.845 23.370 1.00 0.00 C ATOM 349 O MET A 22 82.424 -3.263 22.616 1.00 0.00 O ATOM 350 CB MET A 22 81.630 -3.268 25.796 1.00 0.00 C ATOM 351 CG MET A 22 80.979 -2.342 26.824 1.00 0.00 C ATOM 352 SD MET A 22 81.937 -2.352 28.362 1.00 0.00 S ATOM 353 CE MET A 22 81.508 -4.028 28.890 1.00 0.00 C ATOM 0 H MET A 22 79.300 -4.086 25.455 1.00 0.00 H new ATOM 0 HA MET A 22 80.870 -2.042 24.211 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.571 -4.304 26.130 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.688 -3.028 25.688 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.922 -1.328 26.428 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.957 -2.665 27.021 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.803 -4.169 29.930 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.432 -4.175 28.795 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.030 -4.752 28.264 1.00 0.00 H new ATOM 363 N ALA A 23 81.483 -5.130 23.280 1.00 0.00 N ATOM 364 CA ALA A 23 82.198 -5.905 22.232 1.00 0.00 C ATOM 365 C ALA A 23 81.881 -5.319 20.854 1.00 0.00 C ATOM 366 O ALA A 23 82.755 -5.108 20.038 1.00 0.00 O ATOM 367 CB ALA A 23 81.741 -7.364 22.288 1.00 0.00 C ATOM 0 H ALA A 23 80.868 -5.675 23.884 1.00 0.00 H new ATOM 0 HA ALA A 23 83.273 -5.851 22.405 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.262 -7.938 21.522 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.969 -7.779 23.270 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.666 -7.416 22.113 1.00 0.00 H new ATOM 373 N SER A 24 80.632 -5.060 20.592 1.00 0.00 N ATOM 374 CA SER A 24 80.243 -4.486 19.271 1.00 0.00 C ATOM 375 C SER A 24 80.714 -3.029 19.168 1.00 0.00 C ATOM 376 O SER A 24 81.132 -2.572 18.122 1.00 0.00 O ATOM 377 CB SER A 24 78.724 -4.556 19.126 1.00 0.00 C ATOM 378 OG SER A 24 78.353 -4.127 17.823 1.00 0.00 O ATOM 0 H SER A 24 79.859 -5.221 21.237 1.00 0.00 H new ATOM 0 HA SER A 24 80.714 -5.059 18.472 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.378 -5.575 19.297 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.247 -3.927 19.877 1.00 0.00 H new ATOM 0 HG SER A 24 77.379 -4.173 17.728 1.00 0.00 H new ATOM 384 N ASP A 25 80.632 -2.291 20.245 1.00 0.00 N ATOM 385 CA ASP A 25 81.056 -0.855 20.229 1.00 0.00 C ATOM 386 C ASP A 25 82.537 -0.739 19.850 1.00 0.00 C ATOM 387 O ASP A 25 82.931 0.156 19.129 1.00 0.00 O ATOM 388 CB ASP A 25 80.824 -0.252 21.617 1.00 0.00 C ATOM 389 CG ASP A 25 81.083 1.256 21.586 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.559 1.737 20.569 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.798 1.906 22.582 1.00 0.00 O ATOM 0 H ASP A 25 80.286 -2.624 21.145 1.00 0.00 H new ATOM 0 HA ASP A 25 80.468 -0.314 19.488 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.801 -0.446 21.940 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.484 -0.727 22.343 1.00 0.00 H new ATOM 396 N PHE A 26 83.362 -1.632 20.340 1.00 0.00 N ATOM 397 CA PHE A 26 84.829 -1.583 20.020 1.00 0.00 C ATOM 398 C PHE A 26 85.211 -2.788 19.160 1.00 0.00 C ATOM 399 O PHE A 26 86.363 -2.979 18.821 1.00 0.00 O ATOM 400 CB PHE A 26 85.629 -1.614 21.323 1.00 0.00 C ATOM 401 CG PHE A 26 85.352 -0.346 22.085 1.00 0.00 C ATOM 402 CD1 PHE A 26 84.287 -0.289 22.990 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.158 0.777 21.877 1.00 0.00 C ATOM 404 CE1 PHE A 26 84.028 0.894 23.687 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.900 1.962 22.574 1.00 0.00 C ATOM 406 CZ PHE A 26 84.834 2.021 23.480 1.00 0.00 C ATOM 0 H PHE A 26 83.083 -2.399 20.952 1.00 0.00 H new ATOM 0 HA PHE A 26 85.051 -0.667 19.473 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.349 -2.483 21.919 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.694 -1.703 21.111 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.666 -1.158 23.150 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.980 0.730 21.178 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.206 0.940 24.386 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.522 2.830 22.414 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.633 2.935 24.019 1.00 0.00 H new ATOM 416 N ASN A 27 84.254 -3.599 18.807 1.00 0.00 N ATOM 417 CA ASN A 27 84.558 -4.795 17.966 1.00 0.00 C ATOM 418 C ASN A 27 85.656 -5.635 18.628 1.00 0.00 C ATOM 419 O ASN A 27 86.620 -6.015 17.993 1.00 0.00 O ATOM 420 CB ASN A 27 85.023 -4.349 16.574 1.00 0.00 C ATOM 421 CG ASN A 27 83.908 -3.559 15.884 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.773 -3.989 15.855 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.185 -2.412 15.326 1.00 0.00 N ATOM 0 H ASN A 27 83.273 -3.487 19.063 1.00 0.00 H new ATOM 0 HA ASN A 27 83.654 -5.397 17.869 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.918 -3.733 16.659 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.290 -5.219 15.974 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.448 -1.877 14.866 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.138 -2.050 15.350 1.00 0.00 H new ATOM 430 N LEU A 28 85.516 -5.932 19.900 1.00 0.00 N ATOM 431 CA LEU A 28 86.549 -6.757 20.620 1.00 0.00 C ATOM 432 C LEU A 28 85.894 -8.056 21.107 1.00 0.00 C ATOM 433 O LEU A 28 84.707 -8.082 21.365 1.00 0.00 O ATOM 434 CB LEU A 28 87.064 -5.965 21.834 1.00 0.00 C ATOM 435 CG LEU A 28 87.860 -4.735 21.357 1.00 0.00 C ATOM 436 CD1 LEU A 28 88.071 -3.770 22.530 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.232 -5.164 20.799 1.00 0.00 C ATOM 0 H LEU A 28 84.727 -5.638 20.476 1.00 0.00 H new ATOM 0 HA LEU A 28 87.378 -6.987 19.951 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.226 -5.648 22.455 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.697 -6.601 22.453 1.00 0.00 H new ATOM 0 HG LEU A 28 87.294 -4.240 20.568 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.634 -2.901 22.190 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.103 -3.447 22.914 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.626 -4.275 23.321 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.781 -4.283 20.467 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.799 -5.672 21.579 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.087 -5.840 19.957 1.00 0.00 H new ATOM 449 N PRO A 29 86.647 -9.129 21.237 1.00 0.00 N ATOM 450 CA PRO A 29 86.086 -10.427 21.706 1.00 0.00 C ATOM 451 C PRO A 29 85.487 -10.293 23.110 1.00 0.00 C ATOM 452 O PRO A 29 85.790 -9.365 23.832 1.00 0.00 O ATOM 453 CB PRO A 29 87.296 -11.382 21.704 1.00 0.00 C ATOM 454 CG PRO A 29 88.497 -10.493 21.719 1.00 0.00 C ATOM 455 CD PRO A 29 88.091 -9.238 20.956 1.00 0.00 C ATOM 0 HA PRO A 29 85.274 -10.785 21.073 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.281 -12.038 22.574 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.291 -12.022 20.822 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.793 -10.252 22.740 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.350 -10.980 21.246 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.637 -8.361 21.303 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.288 -9.334 19.888 1.00 0.00 H new ATOM 463 N PRO A 30 84.648 -11.211 23.496 1.00 0.00 N ATOM 464 CA PRO A 30 84.005 -11.189 24.838 1.00 0.00 C ATOM 465 C PRO A 30 85.044 -11.111 25.960 1.00 0.00 C ATOM 466 O PRO A 30 84.820 -10.514 26.991 1.00 0.00 O ATOM 467 CB PRO A 30 83.224 -12.523 24.901 1.00 0.00 C ATOM 468 CG PRO A 30 83.766 -13.358 23.780 1.00 0.00 C ATOM 469 CD PRO A 30 84.220 -12.375 22.710 1.00 0.00 C ATOM 0 HA PRO A 30 83.365 -10.317 24.973 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.367 -13.016 25.862 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.153 -12.357 24.784 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.597 -13.977 24.120 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.004 -14.033 23.392 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.035 -12.779 22.110 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.412 -12.124 22.023 1.00 0.00 H new ATOM 477 N VAL A 31 86.173 -11.725 25.766 1.00 0.00 N ATOM 478 CA VAL A 31 87.214 -11.710 26.829 1.00 0.00 C ATOM 479 C VAL A 31 87.528 -10.278 27.234 1.00 0.00 C ATOM 480 O VAL A 31 87.563 -9.955 28.404 1.00 0.00 O ATOM 481 CB VAL A 31 88.485 -12.393 26.292 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.628 -12.335 27.327 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.162 -13.857 25.988 1.00 0.00 C ATOM 0 H VAL A 31 86.422 -12.236 24.919 1.00 0.00 H new ATOM 0 HA VAL A 31 86.849 -12.246 27.705 1.00 0.00 H new ATOM 0 HB VAL A 31 88.810 -11.871 25.392 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.513 -12.825 26.920 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.861 -11.295 27.553 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.319 -12.844 28.240 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.054 -14.355 25.606 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.832 -14.354 26.900 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.370 -13.907 25.240 1.00 0.00 H new ATOM 493 N VAL A 32 87.767 -9.415 26.303 1.00 0.00 N ATOM 494 CA VAL A 32 88.080 -8.020 26.702 1.00 0.00 C ATOM 495 C VAL A 32 86.842 -7.375 27.304 1.00 0.00 C ATOM 496 O VAL A 32 86.894 -6.743 28.341 1.00 0.00 O ATOM 497 CB VAL A 32 88.541 -7.227 25.489 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.848 -5.788 25.911 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.802 -7.880 24.934 1.00 0.00 C ATOM 0 H VAL A 32 87.761 -9.603 25.301 1.00 0.00 H new ATOM 0 HA VAL A 32 88.879 -8.027 27.444 1.00 0.00 H new ATOM 0 HB VAL A 32 87.762 -7.217 24.727 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.179 -5.217 25.043 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.949 -5.331 26.325 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.635 -5.790 26.665 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.147 -7.323 24.063 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.580 -7.877 25.698 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.582 -8.908 24.644 1.00 0.00 H new ATOM 509 N ALA A 33 85.728 -7.532 26.664 1.00 0.00 N ATOM 510 CA ALA A 33 84.485 -6.931 27.197 1.00 0.00 C ATOM 511 C ALA A 33 84.112 -7.577 28.540 1.00 0.00 C ATOM 512 O ALA A 33 83.759 -6.893 29.481 1.00 0.00 O ATOM 513 CB ALA A 33 83.357 -7.144 26.189 1.00 0.00 C ATOM 0 H ALA A 33 85.623 -8.052 25.793 1.00 0.00 H new ATOM 0 HA ALA A 33 84.641 -5.864 27.358 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.437 -6.704 26.574 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.619 -6.668 25.244 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.209 -8.212 26.029 1.00 0.00 H new ATOM 519 N LYS A 34 84.172 -8.881 28.650 1.00 0.00 N ATOM 520 CA LYS A 34 83.800 -9.519 29.950 1.00 0.00 C ATOM 521 C LYS A 34 84.752 -9.065 31.059 1.00 0.00 C ATOM 522 O LYS A 34 84.350 -8.901 32.192 1.00 0.00 O ATOM 523 CB LYS A 34 83.821 -11.054 29.843 1.00 0.00 C ATOM 524 CG LYS A 34 82.670 -11.554 28.929 1.00 0.00 C ATOM 525 CD LYS A 34 82.164 -12.934 29.391 1.00 0.00 C ATOM 526 CE LYS A 34 83.214 -14.019 29.110 1.00 0.00 C ATOM 527 NZ LYS A 34 83.021 -14.547 27.729 1.00 0.00 N ATOM 0 H LYS A 34 84.457 -9.522 27.910 1.00 0.00 H new ATOM 0 HA LYS A 34 82.786 -9.205 30.196 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.780 -11.383 29.442 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.722 -11.494 30.835 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.849 -10.837 28.945 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.019 -11.616 27.898 1.00 0.00 H new ATOM 0 HD2 LYS A 34 81.939 -12.906 30.457 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.235 -13.178 28.875 1.00 0.00 H new ATOM 0 HE2 LYS A 34 84.217 -13.606 29.217 1.00 0.00 H new ATOM 0 HE3 LYS A 34 83.122 -14.827 29.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.806 -15.564 27.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.232 -14.046 27.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.890 -14.400 27.177 1.00 0.00 H new ATOM 541 N GLU A 35 86.007 -8.868 30.761 1.00 0.00 N ATOM 542 CA GLU A 35 86.946 -8.440 31.835 1.00 0.00 C ATOM 543 C GLU A 35 86.470 -7.110 32.416 1.00 0.00 C ATOM 544 O GLU A 35 86.538 -6.891 33.607 1.00 0.00 O ATOM 545 CB GLU A 35 88.363 -8.288 31.268 1.00 0.00 C ATOM 546 CG GLU A 35 89.374 -8.097 32.413 1.00 0.00 C ATOM 547 CD GLU A 35 89.343 -6.650 32.919 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.915 -5.785 32.174 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.751 -6.435 34.049 1.00 0.00 O ATOM 0 H GLU A 35 86.418 -8.983 29.835 1.00 0.00 H new ATOM 0 HA GLU A 35 86.966 -9.195 32.621 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.626 -9.170 30.684 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.403 -7.434 30.591 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.141 -8.780 33.230 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.377 -8.346 32.066 1.00 0.00 H new ATOM 556 N ILE A 36 85.976 -6.217 31.597 1.00 0.00 N ATOM 557 CA ILE A 36 85.496 -4.917 32.151 1.00 0.00 C ATOM 558 C ILE A 36 84.379 -5.203 33.153 1.00 0.00 C ATOM 559 O ILE A 36 84.305 -4.602 34.206 1.00 0.00 O ATOM 560 CB ILE A 36 84.964 -4.036 31.011 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.087 -3.834 29.986 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.524 -2.673 31.569 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.675 -2.798 28.937 1.00 0.00 C ATOM 0 H ILE A 36 85.885 -6.328 30.587 1.00 0.00 H new ATOM 0 HA ILE A 36 86.314 -4.393 32.646 1.00 0.00 H new ATOM 0 HB ILE A 36 84.107 -4.517 30.539 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.995 -3.506 30.492 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.318 -4.781 29.499 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.147 -2.052 30.756 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.737 -2.820 32.309 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.375 -2.180 32.038 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.483 -2.667 28.218 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.780 -3.141 28.418 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.468 -1.847 29.427 1.00 0.00 H new ATOM 575 N VAL A 37 83.523 -6.134 32.840 1.00 0.00 N ATOM 576 CA VAL A 37 82.422 -6.480 33.776 1.00 0.00 C ATOM 577 C VAL A 37 83.029 -7.018 35.067 1.00 0.00 C ATOM 578 O VAL A 37 82.577 -6.720 36.155 1.00 0.00 O ATOM 579 CB VAL A 37 81.540 -7.561 33.142 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.461 -7.991 34.138 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.885 -7.004 31.871 1.00 0.00 C ATOM 0 H VAL A 37 83.540 -6.671 31.973 1.00 0.00 H new ATOM 0 HA VAL A 37 81.819 -5.597 33.987 1.00 0.00 H new ATOM 0 HB VAL A 37 82.151 -8.426 32.882 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.834 -8.760 33.686 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.933 -8.389 35.036 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.846 -7.131 34.402 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.257 -7.772 31.419 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.273 -6.139 32.126 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.659 -6.705 31.164 1.00 0.00 H new ATOM 591 N ALA A 38 84.062 -7.800 34.947 1.00 0.00 N ATOM 592 CA ALA A 38 84.721 -8.359 36.154 1.00 0.00 C ATOM 593 C ALA A 38 85.288 -7.213 36.993 1.00 0.00 C ATOM 594 O ALA A 38 85.365 -7.296 38.203 1.00 0.00 O ATOM 595 CB ALA A 38 85.845 -9.299 35.721 1.00 0.00 C ATOM 0 H ALA A 38 84.480 -8.077 34.059 1.00 0.00 H new ATOM 0 HA ALA A 38 83.999 -8.916 36.751 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.333 -9.713 36.603 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.431 -10.110 35.121 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.574 -8.746 35.129 1.00 0.00 H new ATOM 601 N SER A 39 85.680 -6.138 36.361 1.00 0.00 N ATOM 602 CA SER A 39 86.238 -4.984 37.126 1.00 0.00 C ATOM 603 C SER A 39 85.086 -4.179 37.734 1.00 0.00 C ATOM 604 O SER A 39 85.236 -3.535 38.753 1.00 0.00 O ATOM 605 CB SER A 39 87.052 -4.087 36.187 1.00 0.00 C ATOM 606 OG SER A 39 87.965 -4.884 35.446 1.00 0.00 O ATOM 0 H SER A 39 85.638 -6.009 35.350 1.00 0.00 H new ATOM 0 HA SER A 39 86.887 -5.353 37.920 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.386 -3.552 35.510 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.592 -3.335 36.762 1.00 0.00 H new ATOM 0 HG SER A 39 87.477 -5.393 34.765 1.00 0.00 H new ATOM 612 N CYS A 40 83.934 -4.215 37.120 1.00 0.00 N ATOM 613 CA CYS A 40 82.772 -3.458 37.667 1.00 0.00 C ATOM 614 C CYS A 40 82.109 -4.286 38.769 1.00 0.00 C ATOM 615 O CYS A 40 81.396 -5.235 38.504 1.00 0.00 O ATOM 616 CB CYS A 40 81.764 -3.194 36.552 1.00 0.00 C ATOM 617 SG CYS A 40 80.282 -2.433 37.262 1.00 0.00 S ATOM 0 H CYS A 40 83.748 -4.736 36.263 1.00 0.00 H new ATOM 0 HA CYS A 40 83.113 -2.507 38.076 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.200 -2.538 35.799 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.505 -4.127 36.051 1.00 0.00 H new ATOM 622 N ASP A 41 82.341 -3.938 40.003 1.00 0.00 N ATOM 623 CA ASP A 41 81.738 -4.698 41.132 1.00 0.00 C ATOM 624 C ASP A 41 80.209 -4.652 41.060 1.00 0.00 C ATOM 625 O ASP A 41 79.532 -5.552 41.515 1.00 0.00 O ATOM 626 CB ASP A 41 82.203 -4.088 42.453 1.00 0.00 C ATOM 627 CG ASP A 41 83.712 -4.289 42.592 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.231 -5.185 41.944 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.321 -3.543 43.341 1.00 0.00 O ATOM 0 H ASP A 41 82.929 -3.152 40.280 1.00 0.00 H new ATOM 0 HA ASP A 41 82.058 -5.738 41.066 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.961 -3.026 42.483 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.682 -4.557 43.288 1.00 0.00 H new ATOM 634 N LYS A 42 79.657 -3.603 40.517 1.00 0.00 N ATOM 635 CA LYS A 42 78.169 -3.504 40.451 1.00 0.00 C ATOM 636 C LYS A 42 77.598 -4.510 39.443 1.00 0.00 C ATOM 637 O LYS A 42 76.585 -5.131 39.689 1.00 0.00 O ATOM 638 CB LYS A 42 77.776 -2.089 40.026 1.00 0.00 C ATOM 639 CG LYS A 42 78.115 -1.100 41.144 1.00 0.00 C ATOM 640 CD LYS A 42 77.726 0.324 40.716 1.00 0.00 C ATOM 641 CE LYS A 42 76.198 0.476 40.691 1.00 0.00 C ATOM 642 NZ LYS A 42 75.839 1.921 40.763 1.00 0.00 N ATOM 0 H LYS A 42 80.166 -2.814 40.118 1.00 0.00 H new ATOM 0 HA LYS A 42 77.762 -3.729 41.437 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.303 -1.814 39.112 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.710 -2.049 39.803 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.585 -1.373 42.056 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.181 -1.143 41.370 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.159 1.049 41.405 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.136 0.539 39.729 1.00 0.00 H new ATOM 0 HE2 LYS A 42 75.793 0.035 39.780 1.00 0.00 H new ATOM 0 HE3 LYS A 42 75.755 -0.062 41.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 74.804 2.023 40.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.213 2.328 41.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.250 2.422 39.949 1.00 0.00 H new ATOM 656 N CYS A 43 78.234 -4.678 38.315 1.00 0.00 N ATOM 657 CA CYS A 43 77.708 -5.648 37.306 1.00 0.00 C ATOM 658 C CYS A 43 78.231 -7.050 37.614 1.00 0.00 C ATOM 659 O CYS A 43 77.657 -8.038 37.207 1.00 0.00 O ATOM 660 CB CYS A 43 78.177 -5.239 35.910 1.00 0.00 C ATOM 661 SG CYS A 43 77.315 -3.736 35.392 1.00 0.00 S ATOM 0 H CYS A 43 79.089 -4.190 38.048 1.00 0.00 H new ATOM 0 HA CYS A 43 76.619 -5.647 37.346 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.254 -5.069 35.913 1.00 0.00 H new ATOM 0 HB3 CYS A 43 77.983 -6.044 35.201 1.00 0.00 H new ATOM 666 N GLN A 44 79.333 -7.145 38.306 1.00 0.00 N ATOM 667 CA GLN A 44 79.908 -8.487 38.610 1.00 0.00 C ATOM 668 C GLN A 44 79.104 -9.178 39.715 1.00 0.00 C ATOM 669 O GLN A 44 78.473 -10.194 39.492 1.00 0.00 O ATOM 670 CB GLN A 44 81.359 -8.312 39.063 1.00 0.00 C ATOM 671 CG GLN A 44 82.036 -9.680 39.180 1.00 0.00 C ATOM 672 CD GLN A 44 83.430 -9.493 39.773 1.00 0.00 C ATOM 673 OE1 GLN A 44 83.918 -8.287 39.881 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.086 -10.451 40.134 1.00 0.00 N ATOM 0 H GLN A 44 79.860 -6.353 38.674 1.00 0.00 H new ATOM 0 HA GLN A 44 79.867 -9.107 37.714 1.00 0.00 H new ATOM 0 HB2 GLN A 44 81.899 -7.689 38.350 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.390 -7.798 40.024 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.443 -10.341 39.812 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.104 -10.152 38.200 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.703 -11.393 40.049 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.019 -10.313 40.522 1.00 0.00 H new ATOM 683 N LEU A 45 79.129 -8.646 40.904 1.00 0.00 N ATOM 684 CA LEU A 45 78.381 -9.280 42.024 1.00 0.00 C ATOM 685 C LEU A 45 76.902 -8.894 41.941 1.00 0.00 C ATOM 686 O LEU A 45 76.356 -8.275 42.832 1.00 0.00 O ATOM 687 CB LEU A 45 78.954 -8.797 43.352 1.00 0.00 C ATOM 688 CG LEU A 45 80.453 -9.142 43.438 1.00 0.00 C ATOM 689 CD1 LEU A 45 81.025 -8.638 44.771 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.654 -10.667 43.344 1.00 0.00 C ATOM 0 H LEU A 45 79.637 -7.796 41.149 1.00 0.00 H new ATOM 0 HA LEU A 45 78.477 -10.364 41.954 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.815 -7.720 43.447 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.418 -9.262 44.179 1.00 0.00 H new ATOM 0 HG LEU A 45 80.971 -8.660 42.609 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.085 -8.884 44.828 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.899 -7.557 44.836 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.497 -9.115 45.597 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.717 -10.898 43.406 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.128 -11.155 44.165 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.259 -11.028 42.395 1.00 0.00 H new ATOM 702 N LYS A 46 76.255 -9.265 40.876 1.00 0.00 N ATOM 703 CA LYS A 46 74.806 -8.943 40.715 1.00 0.00 C ATOM 704 C LYS A 46 73.973 -10.060 41.345 1.00 0.00 C ATOM 705 O LYS A 46 72.758 -10.023 41.346 1.00 0.00 O ATOM 706 CB LYS A 46 74.469 -8.832 39.223 1.00 0.00 C ATOM 707 CG LYS A 46 74.598 -10.203 38.556 1.00 0.00 C ATOM 708 CD LYS A 46 74.556 -10.032 37.036 1.00 0.00 C ATOM 709 CE LYS A 46 74.479 -11.403 36.359 1.00 0.00 C ATOM 710 NZ LYS A 46 73.086 -11.923 36.442 1.00 0.00 N ATOM 0 H LYS A 46 76.668 -9.783 40.100 1.00 0.00 H new ATOM 0 HA LYS A 46 74.583 -7.996 41.206 1.00 0.00 H new ATOM 0 HB2 LYS A 46 73.455 -8.451 39.098 1.00 0.00 H new ATOM 0 HB3 LYS A 46 75.139 -8.120 38.742 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.532 -10.679 38.854 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.789 -10.857 38.882 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.694 -9.428 36.753 1.00 0.00 H new ATOM 0 HD3 LYS A 46 75.444 -9.499 36.697 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.787 -11.323 35.316 1.00 0.00 H new ATOM 0 HE3 LYS A 46 75.167 -12.097 36.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 73.107 -12.940 36.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.572 -11.419 37.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.605 -11.774 35.532 1.00 0.00 H new ATOM 724 N GLY A 47 74.622 -11.058 41.878 1.00 0.00 N ATOM 725 CA GLY A 47 73.878 -12.185 42.506 1.00 0.00 C ATOM 726 C GLY A 47 73.427 -11.783 43.911 1.00 0.00 C ATOM 727 O GLY A 47 73.841 -10.773 44.444 1.00 0.00 O ATOM 0 H GLY A 47 75.638 -11.141 41.906 1.00 0.00 H new ATOM 0 HA2 GLY A 47 73.013 -12.447 41.897 1.00 0.00 H new ATOM 0 HA3 GLY A 47 74.513 -13.070 42.556 1.00 0.00 H new ATOM 731 N GLU A 48 72.584 -12.573 44.517 1.00 0.00 N ATOM 732 CA GLU A 48 72.104 -12.246 45.889 1.00 0.00 C ATOM 733 C GLU A 48 73.050 -12.853 46.922 1.00 0.00 C ATOM 734 O GLU A 48 73.578 -13.933 46.739 1.00 0.00 O ATOM 735 CB GLU A 48 70.701 -12.813 46.085 1.00 0.00 C ATOM 736 CG GLU A 48 69.756 -12.163 45.075 1.00 0.00 C ATOM 737 CD GLU A 48 68.332 -12.655 45.319 1.00 0.00 C ATOM 738 OE1 GLU A 48 68.140 -13.411 46.256 1.00 0.00 O ATOM 739 OE2 GLU A 48 67.455 -12.270 44.566 1.00 0.00 O ATOM 0 H GLU A 48 72.206 -13.433 44.120 1.00 0.00 H new ATOM 0 HA GLU A 48 72.079 -11.164 46.016 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.710 -13.895 45.950 1.00 0.00 H new ATOM 0 HB3 GLU A 48 70.356 -12.621 47.101 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.798 -11.078 45.168 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.068 -12.408 44.060 1.00 0.00 H new ATOM 746 N ALA A 49 73.268 -12.165 48.005 1.00 0.00 N ATOM 747 CA ALA A 49 74.180 -12.690 49.054 1.00 0.00 C ATOM 748 C ALA A 49 73.441 -13.735 49.894 1.00 0.00 C ATOM 749 O ALA A 49 72.226 -13.782 49.917 1.00 0.00 O ATOM 750 CB ALA A 49 74.643 -11.534 49.938 1.00 0.00 C ATOM 0 H ALA A 49 72.851 -11.257 48.209 1.00 0.00 H new ATOM 0 HA ALA A 49 75.049 -13.159 48.592 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.313 -11.912 50.710 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.169 -10.799 49.329 1.00 0.00 H new ATOM 0 HB3 ALA A 49 73.778 -11.065 50.406 1.00 0.00 H new ATOM 756 N MET A 50 74.161 -14.586 50.576 1.00 0.00 N ATOM 757 CA MET A 50 73.497 -15.634 51.398 1.00 0.00 C ATOM 758 C MET A 50 72.865 -14.999 52.641 1.00 0.00 C ATOM 759 O MET A 50 73.478 -14.203 53.327 1.00 0.00 O ATOM 760 CB MET A 50 74.538 -16.677 51.825 1.00 0.00 C ATOM 761 CG MET A 50 73.843 -17.932 52.372 1.00 0.00 C ATOM 762 SD MET A 50 73.322 -17.632 54.077 1.00 0.00 S ATOM 763 CE MET A 50 72.193 -19.034 54.234 1.00 0.00 C ATOM 0 H MET A 50 75.181 -14.599 50.598 1.00 0.00 H new ATOM 0 HA MET A 50 72.716 -16.115 50.809 1.00 0.00 H new ATOM 0 HB2 MET A 50 75.166 -16.943 50.975 1.00 0.00 H new ATOM 0 HB3 MET A 50 75.194 -16.255 52.587 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.980 -18.182 51.755 1.00 0.00 H new ATOM 0 HG3 MET A 50 74.521 -18.784 52.332 1.00 0.00 H new ATOM 0 HE1 MET A 50 71.753 -19.037 55.231 1.00 0.00 H new ATOM 0 HE2 MET A 50 71.402 -18.949 53.489 1.00 0.00 H new ATOM 0 HE3 MET A 50 72.742 -19.963 54.077 1.00 0.00 H new ATOM 773 N HIS A 51 71.638 -15.343 52.930 1.00 0.00 N ATOM 774 CA HIS A 51 70.948 -14.771 54.123 1.00 0.00 C ATOM 775 C HIS A 51 69.932 -15.791 54.653 1.00 0.00 C ATOM 776 O HIS A 51 69.776 -16.864 54.104 1.00 0.00 O ATOM 777 CB HIS A 51 70.218 -13.489 53.720 1.00 0.00 C ATOM 778 CG HIS A 51 69.183 -13.811 52.678 1.00 0.00 C ATOM 779 ND1 HIS A 51 67.830 -13.584 52.883 1.00 0.00 N ATOM 780 CD2 HIS A 51 69.290 -14.340 51.416 1.00 0.00 C ATOM 781 CE1 HIS A 51 67.181 -13.970 51.768 1.00 0.00 C ATOM 782 NE2 HIS A 51 68.024 -14.436 50.846 1.00 0.00 N ATOM 0 H HIS A 51 71.080 -16.001 52.386 1.00 0.00 H new ATOM 0 HA HIS A 51 71.680 -14.544 54.898 1.00 0.00 H new ATOM 0 HB2 HIS A 51 69.744 -13.038 54.592 1.00 0.00 H new ATOM 0 HB3 HIS A 51 70.928 -12.760 53.330 1.00 0.00 H new ATOM 0 HD2 HIS A 51 70.213 -14.636 50.939 1.00 0.00 H new ATOM 0 HE1 HIS A 51 66.111 -13.910 51.637 1.00 0.00 H new ATOM 0 HE2 HIS A 51 67.790 -14.789 49.918 1.00 0.00 H new ATOM 790 N GLY A 52 69.237 -15.467 55.711 1.00 0.00 N ATOM 791 CA GLY A 52 68.230 -16.420 56.268 1.00 0.00 C ATOM 792 C GLY A 52 67.150 -15.639 57.014 1.00 0.00 C ATOM 793 O GLY A 52 66.335 -16.203 57.716 1.00 0.00 O ATOM 0 H GLY A 52 69.322 -14.584 56.214 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.782 -17.004 55.464 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.715 -17.126 56.942 1.00 0.00 H new ATOM 797 N GLN A 53 67.139 -14.343 56.870 1.00 0.00 N ATOM 798 CA GLN A 53 66.113 -13.523 57.569 1.00 0.00 C ATOM 799 C GLN A 53 66.148 -13.857 59.059 1.00 0.00 C ATOM 800 O GLN A 53 65.185 -13.672 59.775 1.00 0.00 O ATOM 801 CB GLN A 53 64.727 -13.847 57.006 1.00 0.00 C ATOM 802 CG GLN A 53 64.756 -13.743 55.478 1.00 0.00 C ATOM 803 CD GLN A 53 65.043 -12.298 55.062 1.00 0.00 C ATOM 804 OE1 GLN A 53 64.218 -11.352 55.424 1.00 0.00 O flip ATOM 805 NE2 GLN A 53 66.021 -12.030 54.394 1.00 0.00 N flip ATOM 0 H GLN A 53 67.798 -13.816 56.297 1.00 0.00 H new ATOM 0 HA GLN A 53 66.321 -12.464 57.420 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.427 -14.851 57.307 1.00 0.00 H new ATOM 0 HB3 GLN A 53 63.988 -13.158 57.414 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.521 -14.406 55.074 1.00 0.00 H new ATOM 0 HG3 GLN A 53 63.801 -14.068 55.064 1.00 0.00 H new ATOM 0 HE21 GLN A 53 66.664 -12.770 54.112 1.00 0.00 H new ATOM 0 HE22 GLN A 53 66.199 -11.065 54.115 1.00 0.00 H new ATOM 814 N VAL A 54 67.256 -14.357 59.518 1.00 0.00 N ATOM 815 CA VAL A 54 67.378 -14.725 60.956 1.00 0.00 C ATOM 816 C VAL A 54 66.287 -15.735 61.303 1.00 0.00 C ATOM 817 O VAL A 54 66.080 -16.090 62.446 1.00 0.00 O ATOM 818 CB VAL A 54 67.229 -13.473 61.823 1.00 0.00 C ATOM 819 CG1 VAL A 54 67.787 -13.743 63.226 1.00 0.00 C ATOM 820 CG2 VAL A 54 68.002 -12.317 61.180 1.00 0.00 C ATOM 0 H VAL A 54 68.090 -14.529 58.957 1.00 0.00 H new ATOM 0 HA VAL A 54 68.357 -15.167 61.144 1.00 0.00 H new ATOM 0 HB VAL A 54 66.174 -13.211 61.901 1.00 0.00 H new ATOM 0 HG11 VAL A 54 67.678 -12.848 63.839 1.00 0.00 H new ATOM 0 HG12 VAL A 54 67.238 -14.566 63.684 1.00 0.00 H new ATOM 0 HG13 VAL A 54 68.842 -14.007 63.153 1.00 0.00 H new ATOM 0 HG21 VAL A 54 67.898 -11.423 61.795 1.00 0.00 H new ATOM 0 HG22 VAL A 54 69.056 -12.583 61.102 1.00 0.00 H new ATOM 0 HG23 VAL A 54 67.603 -12.121 60.185 1.00 0.00 H new ATOM 830 N ASP A 55 65.587 -16.198 60.313 1.00 0.00 N ATOM 831 CA ASP A 55 64.497 -17.188 60.550 1.00 0.00 C ATOM 832 C ASP A 55 65.073 -18.607 60.525 1.00 0.00 C ATOM 833 O ASP A 55 66.270 -18.743 60.728 1.00 0.00 O ATOM 834 CB ASP A 55 63.443 -17.041 59.453 1.00 0.00 C ATOM 835 CG ASP A 55 62.778 -15.671 59.574 1.00 0.00 C ATOM 836 OD1 ASP A 55 62.884 -15.074 60.631 1.00 0.00 O ATOM 837 OD2 ASP A 55 62.180 -15.237 58.604 1.00 0.00 O ATOM 838 OXT ASP A 55 64.308 -19.533 60.310 1.00 0.00 O ATOM 0 H ASP A 55 65.721 -15.933 59.337 1.00 0.00 H new ATOM 0 HA ASP A 55 64.042 -17.006 61.524 1.00 0.00 H new ATOM 0 HB2 ASP A 55 63.905 -17.149 58.472 1.00 0.00 H new ATOM 0 HB3 ASP A 55 62.696 -17.830 59.542 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.694 -14.310 21.849 1.00 0.00 N ATOM 845 CA PHE B 1 92.714 -14.148 22.957 1.00 0.00 C ATOM 846 C PHE B 1 92.162 -15.517 23.363 1.00 0.00 C ATOM 847 O PHE B 1 92.409 -16.004 24.447 1.00 0.00 O ATOM 848 CB PHE B 1 91.557 -13.260 22.488 1.00 0.00 C ATOM 849 CG PHE B 1 92.009 -11.819 22.391 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.611 -11.351 21.216 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.807 -10.946 23.469 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.010 -10.011 21.119 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.209 -9.609 23.371 1.00 0.00 C ATOM 854 CZ PHE B 1 92.812 -9.142 22.198 1.00 0.00 C ATOM 0 H1 PHE B 1 93.710 -13.446 21.271 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.641 -14.479 22.245 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.417 -15.118 21.256 1.00 0.00 H new ATOM 0 HA PHE B 1 93.211 -13.688 23.811 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.197 -13.602 21.518 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.722 -13.341 23.184 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.768 -12.023 20.385 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.341 -11.305 24.375 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.470 -9.649 20.212 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.054 -8.937 24.202 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.125 -8.111 22.125 1.00 0.00 H new ATOM 866 N LEU B 2 91.396 -16.133 22.505 1.00 0.00 N ATOM 867 CA LEU B 2 90.805 -17.458 22.843 1.00 0.00 C ATOM 868 C LEU B 2 91.866 -18.563 22.773 1.00 0.00 C ATOM 869 O LEU B 2 91.896 -19.457 23.594 1.00 0.00 O ATOM 870 CB LEU B 2 89.701 -17.782 21.836 1.00 0.00 C ATOM 871 CG LEU B 2 88.780 -16.571 21.655 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.584 -16.980 20.793 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.286 -16.085 23.024 1.00 0.00 C ATOM 0 H LEU B 2 91.153 -15.774 21.582 1.00 0.00 H new ATOM 0 HA LEU B 2 90.406 -17.411 23.856 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.142 -18.060 20.878 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.123 -18.639 22.181 1.00 0.00 H new ATOM 0 HG LEU B 2 89.327 -15.764 21.168 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.923 -16.124 20.659 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.937 -17.322 19.820 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.039 -17.786 21.285 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.631 -15.224 22.890 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.735 -16.886 23.517 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.140 -15.800 23.639 1.00 0.00 H new ATOM 885 N ASP B 3 92.710 -18.527 21.778 1.00 0.00 N ATOM 886 CA ASP B 3 93.741 -19.597 21.634 1.00 0.00 C ATOM 887 C ASP B 3 94.690 -19.615 22.825 1.00 0.00 C ATOM 888 O ASP B 3 94.958 -20.650 23.405 1.00 0.00 O ATOM 889 CB ASP B 3 94.565 -19.350 20.375 1.00 0.00 C ATOM 890 CG ASP B 3 95.498 -20.541 20.153 1.00 0.00 C ATOM 891 OD1 ASP B 3 95.586 -21.371 21.044 1.00 0.00 O ATOM 892 OD2 ASP B 3 96.110 -20.603 19.101 1.00 0.00 O ATOM 0 H ASP B 3 92.731 -17.804 21.059 1.00 0.00 H new ATOM 0 HA ASP B 3 93.220 -20.553 21.576 1.00 0.00 H new ATOM 0 HB2 ASP B 3 93.909 -19.220 19.514 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.143 -18.432 20.477 1.00 0.00 H new ATOM 897 N GLY B 4 95.223 -18.485 23.182 1.00 0.00 N ATOM 898 CA GLY B 4 96.174 -18.447 24.321 1.00 0.00 C ATOM 899 C GLY B 4 95.442 -18.784 25.615 1.00 0.00 C ATOM 900 O GLY B 4 95.909 -19.564 26.422 1.00 0.00 O ATOM 0 H GLY B 4 95.042 -17.586 22.735 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.984 -19.157 24.155 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.627 -17.459 24.396 1.00 0.00 H new ATOM 904 N ILE B 5 94.297 -18.199 25.821 1.00 0.00 N ATOM 905 CA ILE B 5 93.533 -18.474 27.067 1.00 0.00 C ATOM 906 C ILE B 5 93.203 -19.971 27.180 1.00 0.00 C ATOM 907 O ILE B 5 93.257 -20.540 28.253 1.00 0.00 O ATOM 908 CB ILE B 5 92.239 -17.645 27.068 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.581 -16.165 27.289 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.311 -18.126 28.190 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.342 -15.276 27.066 1.00 0.00 C ATOM 0 H ILE B 5 93.856 -17.541 25.178 1.00 0.00 H new ATOM 0 HA ILE B 5 94.143 -18.193 27.925 1.00 0.00 H new ATOM 0 HB ILE B 5 91.735 -17.767 26.109 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.959 -16.022 28.301 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.376 -15.865 26.607 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.396 -17.534 28.184 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.064 -19.176 28.033 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.812 -18.011 29.151 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.609 -14.232 27.228 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.981 -15.404 26.045 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.558 -15.563 27.766 1.00 0.00 H new ATOM 923 N ASP B 6 92.843 -20.614 26.099 1.00 0.00 N ATOM 924 CA ASP B 6 92.496 -22.064 26.191 1.00 0.00 C ATOM 925 C ASP B 6 93.675 -22.835 26.781 1.00 0.00 C ATOM 926 O ASP B 6 93.510 -23.652 27.665 1.00 0.00 O ATOM 927 CB ASP B 6 92.181 -22.604 24.797 1.00 0.00 C ATOM 928 CG ASP B 6 90.860 -22.011 24.311 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.198 -21.363 25.102 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.536 -22.207 23.152 1.00 0.00 O ATOM 0 H ASP B 6 92.775 -20.204 25.167 1.00 0.00 H new ATOM 0 HA ASP B 6 91.624 -22.187 26.833 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.984 -22.348 24.106 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.117 -23.692 24.822 1.00 0.00 H new ATOM 935 N LYS B 7 94.863 -22.579 26.312 1.00 0.00 N ATOM 936 CA LYS B 7 96.037 -23.296 26.879 1.00 0.00 C ATOM 937 C LYS B 7 96.287 -22.787 28.299 1.00 0.00 C ATOM 938 O LYS B 7 96.598 -23.543 29.197 1.00 0.00 O ATOM 939 CB LYS B 7 97.281 -23.052 26.019 1.00 0.00 C ATOM 940 CG LYS B 7 97.055 -23.562 24.589 1.00 0.00 C ATOM 941 CD LYS B 7 98.390 -23.539 23.834 1.00 0.00 C ATOM 942 CE LYS B 7 98.187 -24.005 22.390 1.00 0.00 C ATOM 943 NZ LYS B 7 99.499 -23.999 21.677 1.00 0.00 N ATOM 0 H LYS B 7 95.071 -21.912 25.569 1.00 0.00 H new ATOM 0 HA LYS B 7 95.832 -24.366 26.894 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.513 -21.987 25.999 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.140 -23.558 26.460 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.652 -24.574 24.610 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.323 -22.937 24.078 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.805 -22.531 23.844 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.111 -24.185 24.335 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.758 -25.007 22.377 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.481 -23.349 21.881 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.362 -24.315 20.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.891 -23.036 21.679 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.159 -24.642 22.159 1.00 0.00 H new ATOM 957 N ALA B 8 96.147 -21.504 28.508 1.00 0.00 N ATOM 958 CA ALA B 8 96.370 -20.943 29.869 1.00 0.00 C ATOM 959 C ALA B 8 95.272 -21.427 30.805 1.00 0.00 C ATOM 960 O ALA B 8 95.508 -21.709 31.963 1.00 0.00 O ATOM 961 CB ALA B 8 96.358 -19.413 29.811 1.00 0.00 C ATOM 0 H ALA B 8 95.888 -20.823 27.794 1.00 0.00 H new ATOM 0 HA ALA B 8 97.338 -21.278 30.240 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.522 -19.010 30.810 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.150 -19.068 29.146 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.394 -19.071 29.435 1.00 0.00 H new ATOM 967 N GLN B 9 94.069 -21.524 30.316 1.00 0.00 N ATOM 968 CA GLN B 9 92.965 -21.987 31.191 1.00 0.00 C ATOM 969 C GLN B 9 93.319 -23.349 31.783 1.00 0.00 C ATOM 970 O GLN B 9 93.109 -23.596 32.953 1.00 0.00 O ATOM 971 CB GLN B 9 91.679 -22.098 30.378 1.00 0.00 C ATOM 972 CG GLN B 9 90.508 -22.331 31.329 1.00 0.00 C ATOM 973 CD GLN B 9 89.209 -22.428 30.532 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.211 -22.835 29.389 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.090 -22.064 31.097 1.00 0.00 N ATOM 0 H GLN B 9 93.806 -21.304 29.355 1.00 0.00 H new ATOM 0 HA GLN B 9 92.818 -21.270 31.999 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.519 -21.188 29.800 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.754 -22.919 29.665 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.666 -23.247 31.898 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.444 -21.515 32.049 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.091 -21.722 32.058 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.214 -22.121 30.577 1.00 0.00 H new ATOM 984 N GLU B 10 93.868 -24.234 30.998 1.00 0.00 N ATOM 985 CA GLU B 10 94.237 -25.565 31.556 1.00 0.00 C ATOM 986 C GLU B 10 95.259 -25.362 32.676 1.00 0.00 C ATOM 987 O GLU B 10 95.182 -25.981 33.718 1.00 0.00 O ATOM 988 CB GLU B 10 94.827 -26.447 30.454 1.00 0.00 C ATOM 989 CG GLU B 10 94.997 -27.875 30.979 1.00 0.00 C ATOM 990 CD GLU B 10 95.733 -28.720 29.935 1.00 0.00 C ATOM 991 OE1 GLU B 10 95.981 -28.203 28.856 1.00 0.00 O ATOM 992 OE2 GLU B 10 96.039 -29.864 30.233 1.00 0.00 O ATOM 0 H GLU B 10 94.075 -24.097 30.009 1.00 0.00 H new ATOM 0 HA GLU B 10 93.351 -26.059 31.955 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.173 -26.444 29.582 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.789 -26.050 30.132 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.556 -27.865 31.914 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.022 -28.313 31.195 1.00 0.00 H new ATOM 999 N GLU B 11 96.206 -24.479 32.484 1.00 0.00 N ATOM 1000 CA GLU B 11 97.215 -24.224 33.554 1.00 0.00 C ATOM 1001 C GLU B 11 96.484 -23.703 34.792 1.00 0.00 C ATOM 1002 O GLU B 11 96.776 -24.082 35.908 1.00 0.00 O ATOM 1003 CB GLU B 11 98.227 -23.181 33.056 1.00 0.00 C ATOM 1004 CG GLU B 11 99.517 -23.250 33.884 1.00 0.00 C ATOM 1005 CD GLU B 11 100.310 -24.505 33.508 1.00 0.00 C ATOM 1006 OE1 GLU B 11 99.833 -25.259 32.672 1.00 0.00 O ATOM 1007 OE2 GLU B 11 101.383 -24.692 34.063 1.00 0.00 O ATOM 0 H GLU B 11 96.323 -23.926 31.635 1.00 0.00 H new ATOM 0 HA GLU B 11 97.750 -25.140 33.804 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.453 -23.357 32.004 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.795 -22.183 33.127 1.00 0.00 H new ATOM 0 HG2 GLU B 11 100.121 -22.360 33.707 1.00 0.00 H new ATOM 0 HG3 GLU B 11 99.277 -23.266 34.947 1.00 0.00 H new ATOM 1014 N HIS B 12 95.520 -22.843 34.593 1.00 0.00 N ATOM 1015 CA HIS B 12 94.755 -22.308 35.752 1.00 0.00 C ATOM 1016 C HIS B 12 94.041 -23.446 36.471 1.00 0.00 C ATOM 1017 O HIS B 12 94.080 -23.556 37.676 1.00 0.00 O ATOM 1018 CB HIS B 12 93.694 -21.311 35.277 1.00 0.00 C ATOM 1019 CG HIS B 12 93.011 -20.774 36.497 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.214 -19.467 36.958 1.00 0.00 N ATOM 1021 CD2 HIS B 12 92.216 -21.388 37.430 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.558 -19.349 38.135 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.955 -20.489 38.438 1.00 0.00 N ATOM 0 H HIS B 12 95.232 -22.490 33.680 1.00 0.00 H new ATOM 0 HA HIS B 12 95.458 -21.813 36.422 1.00 0.00 H new ATOM 0 HB2 HIS B 12 94.153 -20.504 34.707 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.976 -21.799 34.618 1.00 0.00 H new ATOM 0 HD1 HIS B 12 93.756 -18.739 36.492 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.856 -22.405 37.382 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.530 -18.455 38.740 1.00 0.00 H new ATOM 1031 N GLU B 13 93.355 -24.274 35.746 1.00 0.00 N ATOM 1032 CA GLU B 13 92.613 -25.379 36.403 1.00 0.00 C ATOM 1033 C GLU B 13 93.586 -26.277 37.170 1.00 0.00 C ATOM 1034 O GLU B 13 93.295 -26.735 38.256 1.00 0.00 O ATOM 1035 CB GLU B 13 91.882 -26.207 35.341 1.00 0.00 C ATOM 1036 CG GLU B 13 90.924 -27.190 36.024 1.00 0.00 C ATOM 1037 CD GLU B 13 89.694 -26.437 36.536 1.00 0.00 C ATOM 1038 OE1 GLU B 13 89.638 -25.233 36.349 1.00 0.00 O ATOM 1039 OE2 GLU B 13 88.829 -27.077 37.109 1.00 0.00 O ATOM 0 H GLU B 13 93.275 -24.236 34.730 1.00 0.00 H new ATOM 0 HA GLU B 13 91.889 -24.958 37.101 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.328 -25.550 34.671 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.602 -26.751 34.730 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.621 -27.966 35.321 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.428 -27.689 36.852 1.00 0.00 H new ATOM 1046 N LYS B 14 94.727 -26.549 36.605 1.00 0.00 N ATOM 1047 CA LYS B 14 95.709 -27.443 37.288 1.00 0.00 C ATOM 1048 C LYS B 14 96.167 -26.886 38.644 1.00 0.00 C ATOM 1049 O LYS B 14 96.405 -27.643 39.566 1.00 0.00 O ATOM 1050 CB LYS B 14 96.937 -27.639 36.397 1.00 0.00 C ATOM 1051 CG LYS B 14 96.553 -28.467 35.162 1.00 0.00 C ATOM 1052 CD LYS B 14 97.712 -28.485 34.152 1.00 0.00 C ATOM 1053 CE LYS B 14 98.769 -29.505 34.582 1.00 0.00 C ATOM 1054 NZ LYS B 14 98.145 -30.852 34.694 1.00 0.00 N ATOM 0 H LYS B 14 95.026 -26.191 35.698 1.00 0.00 H new ATOM 0 HA LYS B 14 95.204 -28.392 37.467 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.333 -26.671 36.089 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.726 -28.144 36.954 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.306 -29.486 35.461 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.662 -28.046 34.696 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.336 -28.735 33.160 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.159 -27.493 34.082 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.582 -29.529 33.857 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.203 -29.213 35.538 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.850 -31.581 34.464 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 97.802 -30.996 35.665 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 97.346 -30.921 34.031 1.00 0.00 H new ATOM 1068 N TYR B 15 96.359 -25.588 38.768 1.00 0.00 N ATOM 1069 CA TYR B 15 96.881 -25.030 40.067 1.00 0.00 C ATOM 1070 C TYR B 15 96.118 -23.774 40.522 1.00 0.00 C ATOM 1071 O TYR B 15 96.429 -23.207 41.550 1.00 0.00 O ATOM 1072 CB TYR B 15 98.351 -24.652 39.859 1.00 0.00 C ATOM 1073 CG TYR B 15 99.046 -25.728 39.056 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.610 -26.830 39.708 1.00 0.00 C ATOM 1075 CD2 TYR B 15 99.140 -25.616 37.656 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.264 -27.821 38.971 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.797 -26.609 36.922 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.359 -27.713 37.579 1.00 0.00 C ATOM 1079 OH TYR B 15 101.012 -28.691 36.855 1.00 0.00 O ATOM 0 H TYR B 15 96.180 -24.899 38.038 1.00 0.00 H new ATOM 0 HA TYR B 15 96.752 -25.790 40.837 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.421 -23.696 39.340 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.844 -24.528 40.823 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.540 -26.915 40.782 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.706 -24.766 37.150 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.697 -28.672 39.477 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.872 -26.525 35.848 1.00 0.00 H new ATOM 0 HH TYR B 15 100.926 -29.552 37.316 1.00 0.00 H new ATOM 1089 N HIS B 16 95.166 -23.304 39.769 1.00 0.00 N ATOM 1090 CA HIS B 16 94.444 -22.060 40.174 1.00 0.00 C ATOM 1091 C HIS B 16 95.490 -20.975 40.408 1.00 0.00 C ATOM 1092 O HIS B 16 95.441 -20.237 41.369 1.00 0.00 O ATOM 1093 CB HIS B 16 93.634 -22.280 41.460 1.00 0.00 C ATOM 1094 CG HIS B 16 92.461 -23.186 41.196 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.266 -22.747 40.651 1.00 0.00 N ATOM 1096 CD2 HIS B 16 92.262 -24.529 41.434 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.406 -23.768 40.575 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.964 -24.889 41.042 1.00 0.00 N ATOM 0 H HIS B 16 94.854 -23.723 38.893 1.00 0.00 H new ATOM 0 HA HIS B 16 93.745 -21.772 39.389 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.272 -22.716 42.229 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.282 -21.322 41.844 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.993 -25.201 41.857 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.400 -23.697 40.190 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.536 -25.813 41.101 1.00 0.00 H new ATOM 1106 N SER B 17 96.454 -20.899 39.535 1.00 0.00 N ATOM 1107 CA SER B 17 97.532 -19.889 39.699 1.00 0.00 C ATOM 1108 C SER B 17 96.950 -18.476 39.660 1.00 0.00 C ATOM 1109 O SER B 17 95.901 -18.239 39.094 1.00 0.00 O ATOM 1110 CB SER B 17 98.551 -20.057 38.572 1.00 0.00 C ATOM 1111 OG SER B 17 97.953 -19.686 37.339 1.00 0.00 O ATOM 0 H SER B 17 96.541 -21.496 38.712 1.00 0.00 H new ATOM 0 HA SER B 17 98.017 -20.038 40.664 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.428 -19.439 38.764 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.893 -21.091 38.527 1.00 0.00 H new ATOM 0 HG SER B 17 98.605 -19.791 36.615 1.00 0.00 H new ATOM 1117 N ASN B 18 97.633 -17.534 40.257 1.00 0.00 N ATOM 1118 CA ASN B 18 97.131 -16.135 40.254 1.00 0.00 C ATOM 1119 C ASN B 18 97.304 -15.554 38.850 1.00 0.00 C ATOM 1120 O ASN B 18 98.089 -16.044 38.061 1.00 0.00 O ATOM 1121 CB ASN B 18 97.929 -15.301 41.261 1.00 0.00 C ATOM 1122 CG ASN B 18 97.769 -15.895 42.663 1.00 0.00 C ATOM 1123 OD1 ASN B 18 96.853 -16.652 42.914 1.00 0.00 O ATOM 1124 ND2 ASN B 18 98.631 -15.581 43.594 1.00 0.00 N ATOM 0 H ASN B 18 98.517 -17.677 40.746 1.00 0.00 H new ATOM 0 HA ASN B 18 96.078 -16.117 40.534 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.982 -15.284 40.981 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.580 -14.269 41.251 1.00 0.00 H new ATOM 0 HD21 ASN B 18 98.534 -15.972 44.531 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.400 -14.945 43.383 1.00 0.00 H new ATOM 1131 N TRP B 19 96.568 -14.529 38.522 1.00 0.00 N ATOM 1132 CA TRP B 19 96.683 -13.934 37.162 1.00 0.00 C ATOM 1133 C TRP B 19 98.129 -13.488 36.903 1.00 0.00 C ATOM 1134 O TRP B 19 98.593 -13.478 35.779 1.00 0.00 O ATOM 1135 CB TRP B 19 95.710 -12.753 37.036 1.00 0.00 C ATOM 1136 CG TRP B 19 96.183 -11.581 37.834 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.692 -11.209 39.040 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.214 -10.619 37.493 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.360 -10.071 39.455 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.311 -9.671 38.537 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.068 -10.481 36.387 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.225 -8.617 38.485 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.988 -9.425 36.330 1.00 0.00 C ATOM 1144 CH2 TRP B 19 99.068 -8.493 37.375 1.00 0.00 C ATOM 0 H TRP B 19 95.891 -14.078 39.138 1.00 0.00 H new ATOM 0 HA TRP B 19 96.422 -14.681 36.412 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.612 -12.468 35.988 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.720 -13.055 37.378 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.910 -11.716 39.586 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.173 -9.586 40.333 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.016 -11.192 35.576 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.281 -7.904 39.294 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.640 -9.328 35.475 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.779 -7.681 37.323 1.00 0.00 H new ATOM 1155 N ARG B 20 98.846 -13.128 37.931 1.00 0.00 N ATOM 1156 CA ARG B 20 100.262 -12.692 37.744 1.00 0.00 C ATOM 1157 C ARG B 20 101.092 -13.842 37.181 1.00 0.00 C ATOM 1158 O ARG B 20 101.948 -13.654 36.341 1.00 0.00 O ATOM 1159 CB ARG B 20 100.850 -12.281 39.098 1.00 0.00 C ATOM 1160 CG ARG B 20 100.117 -11.050 39.634 1.00 0.00 C ATOM 1161 CD ARG B 20 100.734 -10.630 40.972 1.00 0.00 C ATOM 1162 NE ARG B 20 99.974 -9.478 41.540 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.103 -9.172 42.805 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.910 -9.861 43.563 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.429 -8.176 43.312 1.00 0.00 N ATOM 0 H ARG B 20 98.513 -13.116 38.895 1.00 0.00 H new ATOM 0 HA ARG B 20 100.284 -11.851 37.051 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.762 -13.104 39.807 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.913 -12.064 38.992 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.186 -10.232 38.917 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.058 -11.272 39.764 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.717 -11.468 41.669 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.779 -10.354 40.830 1.00 0.00 H new ATOM 0 HE ARG B 20 99.355 -8.930 40.943 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.440 -10.638 43.169 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.011 -9.623 44.550 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.799 -7.633 42.721 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.532 -7.940 44.299 1.00 0.00 H new ATOM 1179 N ALA B 21 100.862 -15.029 37.656 1.00 0.00 N ATOM 1180 CA ALA B 21 101.653 -16.184 37.161 1.00 0.00 C ATOM 1181 C ALA B 21 101.265 -16.495 35.713 1.00 0.00 C ATOM 1182 O ALA B 21 102.112 -16.679 34.862 1.00 0.00 O ATOM 1183 CB ALA B 21 101.389 -17.396 38.064 1.00 0.00 C ATOM 0 H ALA B 21 100.162 -15.250 38.364 1.00 0.00 H new ATOM 0 HA ALA B 21 102.716 -15.945 37.187 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.967 -18.249 37.707 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.685 -17.160 39.086 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.327 -17.642 38.042 1.00 0.00 H new ATOM 1189 N MET B 22 99.997 -16.555 35.420 1.00 0.00 N ATOM 1190 CA MET B 22 99.575 -16.851 34.019 1.00 0.00 C ATOM 1191 C MET B 22 100.099 -15.765 33.080 1.00 0.00 C ATOM 1192 O MET B 22 100.528 -16.035 31.975 1.00 0.00 O ATOM 1193 CB MET B 22 98.052 -16.924 33.938 1.00 0.00 C ATOM 1194 CG MET B 22 97.575 -18.134 34.742 1.00 0.00 C ATOM 1195 SD MET B 22 95.799 -18.383 34.501 1.00 0.00 S ATOM 1196 CE MET B 22 95.224 -16.957 35.451 1.00 0.00 C ATOM 0 H MET B 22 99.236 -16.413 36.084 1.00 0.00 H new ATOM 0 HA MET B 22 99.990 -17.812 33.716 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.609 -16.010 34.332 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.733 -17.011 32.899 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.120 -19.025 34.430 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.788 -17.984 35.800 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.152 -17.046 35.628 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.747 -16.921 36.406 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.425 -16.043 34.893 1.00 0.00 H new ATOM 1206 N ALA B 23 100.062 -14.535 33.507 1.00 0.00 N ATOM 1207 CA ALA B 23 100.557 -13.437 32.629 1.00 0.00 C ATOM 1208 C ALA B 23 102.010 -13.711 32.237 1.00 0.00 C ATOM 1209 O ALA B 23 102.381 -13.618 31.084 1.00 0.00 O ATOM 1210 CB ALA B 23 100.470 -12.110 33.386 1.00 0.00 C ATOM 0 H ALA B 23 99.713 -14.242 34.420 1.00 0.00 H new ATOM 0 HA ALA B 23 99.946 -13.384 31.728 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.831 -11.303 32.748 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.434 -11.917 33.664 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.083 -12.163 34.286 1.00 0.00 H new ATOM 1216 N SER B 24 102.831 -14.052 33.186 1.00 0.00 N ATOM 1217 CA SER B 24 104.258 -14.339 32.877 1.00 0.00 C ATOM 1218 C SER B 24 104.375 -15.654 32.094 1.00 0.00 C ATOM 1219 O SER B 24 105.203 -15.793 31.217 1.00 0.00 O ATOM 1220 CB SER B 24 105.042 -14.442 34.183 1.00 0.00 C ATOM 1221 OG SER B 24 106.423 -14.566 33.891 1.00 0.00 O ATOM 0 H SER B 24 102.575 -14.145 34.169 1.00 0.00 H new ATOM 0 HA SER B 24 104.665 -13.533 32.267 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.866 -13.559 34.797 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.701 -15.303 34.758 1.00 0.00 H new ATOM 0 HG SER B 24 106.930 -14.631 34.727 1.00 0.00 H new ATOM 1227 N ASP B 25 103.558 -16.624 32.419 1.00 0.00 N ATOM 1228 CA ASP B 25 103.623 -17.942 31.710 1.00 0.00 C ATOM 1229 C ASP B 25 103.343 -17.760 30.215 1.00 0.00 C ATOM 1230 O ASP B 25 103.980 -18.371 29.380 1.00 0.00 O ATOM 1231 CB ASP B 25 102.579 -18.887 32.318 1.00 0.00 C ATOM 1232 CG ASP B 25 102.776 -20.305 31.774 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.559 -20.465 30.854 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.141 -21.209 32.294 1.00 0.00 O ATOM 0 H ASP B 25 102.846 -16.561 33.147 1.00 0.00 H new ATOM 0 HA ASP B 25 104.621 -18.363 31.827 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.668 -18.890 33.404 1.00 0.00 H new ATOM 0 HB3 ASP B 25 101.575 -18.534 32.081 1.00 0.00 H new ATOM 1239 N PHE B 26 102.397 -16.922 29.871 1.00 0.00 N ATOM 1240 CA PHE B 26 102.062 -16.685 28.424 1.00 0.00 C ATOM 1241 C PHE B 26 102.463 -15.270 28.022 1.00 0.00 C ATOM 1242 O PHE B 26 102.237 -14.848 26.905 1.00 0.00 O ATOM 1243 CB PHE B 26 100.559 -16.871 28.217 1.00 0.00 C ATOM 1244 CG PHE B 26 100.217 -18.308 28.489 1.00 0.00 C ATOM 1245 CD1 PHE B 26 99.890 -18.713 29.785 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.246 -19.243 27.446 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.590 -20.052 30.044 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.943 -20.584 27.702 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.615 -20.990 29.002 1.00 0.00 C ATOM 0 H PHE B 26 101.836 -16.386 30.533 1.00 0.00 H new ATOM 0 HA PHE B 26 102.608 -17.397 27.806 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.000 -16.215 28.885 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.280 -16.601 27.198 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.869 -17.990 30.587 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.502 -18.928 26.445 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.339 -20.365 31.047 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.962 -21.306 26.899 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.381 -22.025 29.202 1.00 0.00 H new ATOM 1259 N ASN B 27 103.055 -14.532 28.921 1.00 0.00 N ATOM 1260 CA ASN B 27 103.475 -13.140 28.591 1.00 0.00 C ATOM 1261 C ASN B 27 102.275 -12.345 28.068 1.00 0.00 C ATOM 1262 O ASN B 27 102.353 -11.693 27.046 1.00 0.00 O ATOM 1263 CB ASN B 27 104.575 -13.166 27.524 1.00 0.00 C ATOM 1264 CG ASN B 27 105.802 -13.902 28.068 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.239 -13.645 29.173 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.381 -14.816 27.335 1.00 0.00 N ATOM 0 H ASN B 27 103.266 -14.834 29.872 1.00 0.00 H new ATOM 0 HA ASN B 27 103.859 -12.663 29.493 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.211 -13.661 26.624 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.845 -12.149 27.241 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.198 -15.312 27.690 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.016 -15.033 26.408 1.00 0.00 H new ATOM 1273 N LEU B 28 101.162 -12.390 28.766 1.00 0.00 N ATOM 1274 CA LEU B 28 99.944 -11.633 28.319 1.00 0.00 C ATOM 1275 C LEU B 28 99.593 -10.592 29.392 1.00 0.00 C ATOM 1276 O LEU B 28 99.866 -10.793 30.559 1.00 0.00 O ATOM 1277 CB LEU B 28 98.769 -12.613 28.157 1.00 0.00 C ATOM 1278 CG LEU B 28 99.049 -13.578 26.986 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.065 -14.753 27.031 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.903 -12.843 25.638 1.00 0.00 C ATOM 0 H LEU B 28 101.044 -12.920 29.629 1.00 0.00 H new ATOM 0 HA LEU B 28 100.138 -11.138 27.367 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.625 -13.177 29.078 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.847 -12.062 27.973 1.00 0.00 H new ATOM 0 HG LEU B 28 100.069 -13.951 27.081 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.269 -15.430 26.201 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.181 -15.289 27.973 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.045 -14.377 26.950 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.104 -13.537 24.822 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.889 -12.455 25.543 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.613 -12.017 25.595 1.00 0.00 H new ATOM 1292 N PRO B 29 98.994 -9.485 29.018 1.00 0.00 N ATOM 1293 CA PRO B 29 98.615 -8.430 30.001 1.00 0.00 C ATOM 1294 C PRO B 29 97.644 -8.980 31.049 1.00 0.00 C ATOM 1295 O PRO B 29 97.022 -10.004 30.849 1.00 0.00 O ATOM 1296 CB PRO B 29 97.948 -7.329 29.147 1.00 0.00 C ATOM 1297 CG PRO B 29 97.572 -8.003 27.866 1.00 0.00 C ATOM 1298 CD PRO B 29 98.607 -9.105 27.649 1.00 0.00 C ATOM 0 HA PRO B 29 99.473 -8.056 30.559 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.072 -6.918 29.648 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.632 -6.499 28.970 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.566 -8.419 27.925 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.576 -7.295 27.037 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.187 -9.949 27.102 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.461 -8.746 27.075 1.00 0.00 H new ATOM 1306 N PRO B 30 97.518 -8.307 32.158 1.00 0.00 N ATOM 1307 CA PRO B 30 96.606 -8.737 33.253 1.00 0.00 C ATOM 1308 C PRO B 30 95.175 -8.932 32.748 1.00 0.00 C ATOM 1309 O PRO B 30 94.448 -9.782 33.218 1.00 0.00 O ATOM 1310 CB PRO B 30 96.676 -7.582 34.278 1.00 0.00 C ATOM 1311 CG PRO B 30 97.316 -6.437 33.552 1.00 0.00 C ATOM 1312 CD PRO B 30 98.217 -7.060 32.493 1.00 0.00 C ATOM 0 HA PRO B 30 96.899 -9.697 33.678 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.682 -7.313 34.634 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.261 -7.868 35.152 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.563 -5.795 33.095 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.892 -5.814 34.237 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.326 -6.412 31.623 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.220 -7.250 32.877 1.00 0.00 H new ATOM 1320 N VAL B 31 94.764 -8.139 31.809 1.00 0.00 N ATOM 1321 CA VAL B 31 93.372 -8.262 31.301 1.00 0.00 C ATOM 1322 C VAL B 31 93.106 -9.694 30.872 1.00 0.00 C ATOM 1323 O VAL B 31 92.110 -10.283 31.241 1.00 0.00 O ATOM 1324 CB VAL B 31 93.193 -7.315 30.105 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.803 -7.485 29.464 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.351 -5.873 30.593 1.00 0.00 C ATOM 0 H VAL B 31 95.327 -7.411 31.369 1.00 0.00 H new ATOM 0 HA VAL B 31 92.667 -7.995 32.088 1.00 0.00 H new ATOM 0 HB VAL B 31 93.946 -7.552 29.354 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.705 -6.802 28.620 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.686 -8.511 29.115 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.032 -7.262 30.202 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.226 -5.189 29.753 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.596 -5.660 31.350 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.344 -5.741 31.024 1.00 0.00 H new ATOM 1336 N VAL B 32 93.961 -10.259 30.088 1.00 0.00 N ATOM 1337 CA VAL B 32 93.702 -11.651 29.648 1.00 0.00 C ATOM 1338 C VAL B 32 93.809 -12.587 30.842 1.00 0.00 C ATOM 1339 O VAL B 32 92.961 -13.429 31.065 1.00 0.00 O ATOM 1340 CB VAL B 32 94.709 -12.039 28.575 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.457 -13.485 28.142 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.529 -11.106 27.377 1.00 0.00 C ATOM 0 H VAL B 32 94.816 -9.831 29.734 1.00 0.00 H new ATOM 0 HA VAL B 32 92.698 -11.727 29.231 1.00 0.00 H new ATOM 0 HB VAL B 32 95.724 -11.953 28.963 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.177 -13.765 27.373 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.567 -14.147 29.001 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.447 -13.574 27.743 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.244 -11.371 26.598 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.516 -11.205 26.988 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.699 -10.076 27.690 1.00 0.00 H new ATOM 1352 N ALA B 33 94.843 -12.449 31.614 1.00 0.00 N ATOM 1353 CA ALA B 33 95.005 -13.331 32.798 1.00 0.00 C ATOM 1354 C ALA B 33 93.869 -13.084 33.805 1.00 0.00 C ATOM 1355 O ALA B 33 93.291 -14.019 34.329 1.00 0.00 O ATOM 1356 CB ALA B 33 96.356 -13.047 33.455 1.00 0.00 C ATOM 0 H ALA B 33 95.585 -11.763 31.478 1.00 0.00 H new ATOM 0 HA ALA B 33 94.965 -14.373 32.480 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.480 -13.692 34.325 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.156 -13.243 32.741 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.396 -12.004 33.768 1.00 0.00 H new ATOM 1362 N LYS B 34 93.542 -11.849 34.097 1.00 0.00 N ATOM 1363 CA LYS B 34 92.445 -11.604 35.086 1.00 0.00 C ATOM 1364 C LYS B 34 91.124 -12.185 34.576 1.00 0.00 C ATOM 1365 O LYS B 34 90.327 -12.683 35.345 1.00 0.00 O ATOM 1366 CB LYS B 34 92.284 -10.101 35.375 1.00 0.00 C ATOM 1367 CG LYS B 34 93.523 -9.557 36.140 1.00 0.00 C ATOM 1368 CD LYS B 34 93.119 -8.429 37.106 1.00 0.00 C ATOM 1369 CE LYS B 34 92.700 -7.172 36.326 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.904 -6.339 36.052 1.00 0.00 N ATOM 0 H LYS B 34 93.977 -11.015 33.703 1.00 0.00 H new ATOM 0 HA LYS B 34 92.716 -12.104 36.016 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.159 -9.556 34.439 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.383 -9.933 35.964 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.996 -10.366 36.697 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.261 -9.186 35.429 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.296 -8.762 37.739 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.953 -8.192 37.766 1.00 0.00 H new ATOM 0 HE2 LYS B 34 92.218 -7.455 35.390 1.00 0.00 H new ATOM 0 HE3 LYS B 34 91.971 -6.600 36.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.807 -5.421 36.530 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.751 -6.826 36.407 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.996 -6.188 35.027 1.00 0.00 H new ATOM 1384 N GLU B 35 90.866 -12.128 33.296 1.00 0.00 N ATOM 1385 CA GLU B 35 89.576 -12.682 32.791 1.00 0.00 C ATOM 1386 C GLU B 35 89.485 -14.170 33.139 1.00 0.00 C ATOM 1387 O GLU B 35 88.440 -14.662 33.510 1.00 0.00 O ATOM 1388 CB GLU B 35 89.480 -12.498 31.275 1.00 0.00 C ATOM 1389 CG GLU B 35 88.059 -12.829 30.786 1.00 0.00 C ATOM 1390 CD GLU B 35 87.868 -14.345 30.683 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.856 -15.046 30.550 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.728 -14.780 30.740 1.00 0.00 O ATOM 0 H GLU B 35 91.482 -11.728 32.588 1.00 0.00 H new ATOM 0 HA GLU B 35 88.751 -12.148 33.263 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.733 -11.472 31.010 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.203 -13.144 30.777 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.324 -12.410 31.473 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.886 -12.368 29.814 1.00 0.00 H new ATOM 1399 N ILE B 36 90.567 -14.894 33.040 1.00 0.00 N ATOM 1400 CA ILE B 36 90.498 -16.343 33.382 1.00 0.00 C ATOM 1401 C ILE B 36 90.047 -16.460 34.838 1.00 0.00 C ATOM 1402 O ILE B 36 89.254 -17.314 35.189 1.00 0.00 O ATOM 1403 CB ILE B 36 91.879 -16.990 33.204 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.326 -16.794 31.748 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.798 -18.494 33.517 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.600 -17.600 31.475 1.00 0.00 C ATOM 0 H ILE B 36 91.481 -14.552 32.742 1.00 0.00 H new ATOM 0 HA ILE B 36 89.795 -16.856 32.726 1.00 0.00 H new ATOM 0 HB ILE B 36 92.594 -16.526 33.884 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.533 -17.111 31.070 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.507 -15.737 31.554 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.782 -18.946 33.388 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.466 -18.634 34.546 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.089 -18.969 32.839 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.908 -17.454 30.440 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.394 -17.262 32.141 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.406 -18.658 31.650 1.00 0.00 H new ATOM 1418 N VAL B 37 90.537 -15.600 35.683 1.00 0.00 N ATOM 1419 CA VAL B 37 90.129 -15.645 37.114 1.00 0.00 C ATOM 1420 C VAL B 37 88.636 -15.350 37.208 1.00 0.00 C ATOM 1421 O VAL B 37 87.914 -15.963 37.969 1.00 0.00 O ATOM 1422 CB VAL B 37 90.914 -14.591 37.895 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.454 -14.580 39.356 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.410 -14.919 37.820 1.00 0.00 C ATOM 0 H VAL B 37 91.204 -14.866 35.445 1.00 0.00 H new ATOM 0 HA VAL B 37 90.336 -16.630 37.533 1.00 0.00 H new ATOM 0 HB VAL B 37 90.736 -13.607 37.462 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.016 -13.827 39.909 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.391 -14.344 39.401 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.627 -15.561 39.799 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.975 -14.170 38.375 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.589 -15.903 38.253 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.731 -14.917 36.778 1.00 0.00 H new ATOM 1434 N ALA B 38 88.169 -14.423 36.427 1.00 0.00 N ATOM 1435 CA ALA B 38 86.723 -14.091 36.447 1.00 0.00 C ATOM 1436 C ALA B 38 85.930 -15.332 36.022 1.00 0.00 C ATOM 1437 O ALA B 38 84.818 -15.550 36.457 1.00 0.00 O ATOM 1438 CB ALA B 38 86.462 -12.939 35.478 1.00 0.00 C ATOM 0 H ALA B 38 88.730 -13.878 35.772 1.00 0.00 H new ATOM 0 HA ALA B 38 86.413 -13.789 37.447 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.401 -12.689 35.487 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.042 -12.068 35.783 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.756 -13.236 34.471 1.00 0.00 H new ATOM 1444 N SER B 39 86.500 -16.151 35.174 1.00 0.00 N ATOM 1445 CA SER B 39 85.777 -17.377 34.724 1.00 0.00 C ATOM 1446 C SER B 39 85.867 -18.447 35.817 1.00 0.00 C ATOM 1447 O SER B 39 85.011 -19.300 35.931 1.00 0.00 O ATOM 1448 CB SER B 39 86.407 -17.914 33.434 1.00 0.00 C ATOM 1449 OG SER B 39 86.592 -16.847 32.509 1.00 0.00 O ATOM 0 H SER B 39 87.430 -16.024 34.776 1.00 0.00 H new ATOM 0 HA SER B 39 84.733 -17.128 34.534 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.364 -18.387 33.655 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.767 -18.680 32.997 1.00 0.00 H new ATOM 0 HG SER B 39 87.313 -16.263 32.824 1.00 0.00 H new ATOM 1455 N CYS B 40 86.897 -18.414 36.621 1.00 0.00 N ATOM 1456 CA CYS B 40 87.035 -19.434 37.703 1.00 0.00 C ATOM 1457 C CYS B 40 86.203 -19.004 38.919 1.00 0.00 C ATOM 1458 O CYS B 40 86.591 -18.136 39.674 1.00 0.00 O ATOM 1459 CB CYS B 40 88.504 -19.553 38.110 1.00 0.00 C ATOM 1460 SG CYS B 40 88.640 -20.679 39.523 1.00 0.00 S ATOM 0 H CYS B 40 87.648 -17.726 36.576 1.00 0.00 H new ATOM 0 HA CYS B 40 86.680 -20.398 37.339 1.00 0.00 H new ATOM 0 HB2 CYS B 40 89.096 -19.925 37.274 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.902 -18.573 38.371 1.00 0.00 H new ATOM 1465 N ASP B 41 85.062 -19.607 39.110 1.00 0.00 N ATOM 1466 CA ASP B 41 84.194 -19.240 40.269 1.00 0.00 C ATOM 1467 C ASP B 41 84.926 -19.487 41.590 1.00 0.00 C ATOM 1468 O ASP B 41 84.654 -18.847 42.587 1.00 0.00 O ATOM 1469 CB ASP B 41 82.918 -20.084 40.232 1.00 0.00 C ATOM 1470 CG ASP B 41 82.097 -19.704 39.003 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.318 -18.624 38.480 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.264 -20.499 38.602 1.00 0.00 O ATOM 0 H ASP B 41 84.690 -20.343 38.510 1.00 0.00 H new ATOM 0 HA ASP B 41 83.945 -18.181 40.199 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.170 -21.144 40.201 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.334 -19.921 41.138 1.00 0.00 H new ATOM 1477 N LYS B 42 85.829 -20.425 41.618 1.00 0.00 N ATOM 1478 CA LYS B 42 86.546 -20.714 42.891 1.00 0.00 C ATOM 1479 C LYS B 42 87.525 -19.583 43.234 1.00 0.00 C ATOM 1480 O LYS B 42 87.637 -19.179 44.376 1.00 0.00 O ATOM 1481 CB LYS B 42 87.321 -22.028 42.753 1.00 0.00 C ATOM 1482 CG LYS B 42 86.336 -23.202 42.691 1.00 0.00 C ATOM 1483 CD LYS B 42 87.106 -24.523 42.551 1.00 0.00 C ATOM 1484 CE LYS B 42 87.823 -24.871 43.866 1.00 0.00 C ATOM 1485 NZ LYS B 42 88.142 -26.327 43.886 1.00 0.00 N ATOM 0 H LYS B 42 86.101 -21.001 40.821 1.00 0.00 H new ATOM 0 HA LYS B 42 85.811 -20.795 43.692 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.935 -22.007 41.852 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.999 -22.153 43.598 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.723 -23.222 43.592 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.658 -23.075 41.847 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.418 -25.325 42.282 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.834 -24.443 41.743 1.00 0.00 H new ATOM 0 HE2 LYS B 42 88.738 -24.286 43.960 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.191 -24.614 44.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 88.627 -26.564 44.775 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.262 -26.876 43.815 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 88.760 -26.558 43.082 1.00 0.00 H new ATOM 1499 N CYS B 43 88.234 -19.066 42.267 1.00 0.00 N ATOM 1500 CA CYS B 43 89.201 -17.962 42.559 1.00 0.00 C ATOM 1501 C CYS B 43 88.479 -16.617 42.524 1.00 0.00 C ATOM 1502 O CYS B 43 88.927 -15.647 43.102 1.00 0.00 O ATOM 1503 CB CYS B 43 90.307 -17.954 41.502 1.00 0.00 C ATOM 1504 SG CYS B 43 91.381 -19.391 41.725 1.00 0.00 S ATOM 0 H CYS B 43 88.188 -19.357 41.290 1.00 0.00 H new ATOM 0 HA CYS B 43 89.632 -18.123 43.547 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.869 -17.968 40.504 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.891 -17.037 41.581 1.00 0.00 H new ATOM 1509 N GLN B 44 87.380 -16.542 41.828 1.00 0.00 N ATOM 1510 CA GLN B 44 86.648 -15.250 41.733 1.00 0.00 C ATOM 1511 C GLN B 44 85.904 -14.958 43.035 1.00 0.00 C ATOM 1512 O GLN B 44 86.208 -14.011 43.734 1.00 0.00 O ATOM 1513 CB GLN B 44 85.643 -15.330 40.581 1.00 0.00 C ATOM 1514 CG GLN B 44 85.027 -13.950 40.333 1.00 0.00 C ATOM 1515 CD GLN B 44 83.921 -14.084 39.287 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.161 -13.163 39.066 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.802 -15.203 38.628 1.00 0.00 N ATOM 0 H GLN B 44 86.957 -17.320 41.321 1.00 0.00 H new ATOM 0 HA GLN B 44 87.364 -14.448 41.553 1.00 0.00 H new ATOM 0 HB2 GLN B 44 86.139 -15.685 39.678 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.860 -16.050 40.819 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.622 -13.546 41.261 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.790 -13.253 39.988 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.441 -15.975 38.815 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.070 -15.306 37.926 1.00 0.00 H new ATOM 1526 N LEU B 45 84.925 -15.754 43.364 1.00 0.00 N ATOM 1527 CA LEU B 45 84.152 -15.508 44.617 1.00 0.00 C ATOM 1528 C LEU B 45 84.910 -16.062 45.821 1.00 0.00 C ATOM 1529 O LEU B 45 84.436 -16.928 46.533 1.00 0.00 O ATOM 1530 CB LEU B 45 82.799 -16.201 44.522 1.00 0.00 C ATOM 1531 CG LEU B 45 82.026 -15.677 43.301 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.677 -16.398 43.200 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.790 -14.160 43.434 1.00 0.00 C ATOM 0 H LEU B 45 84.626 -16.564 42.821 1.00 0.00 H new ATOM 0 HA LEU B 45 84.014 -14.434 44.741 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.938 -17.279 44.440 1.00 0.00 H new ATOM 0 HB3 LEU B 45 82.225 -16.022 45.431 1.00 0.00 H new ATOM 0 HG LEU B 45 82.611 -15.868 42.402 1.00 0.00 H new ATOM 0 HD11 LEU B 45 80.130 -16.026 42.334 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.844 -17.469 43.090 1.00 0.00 H new ATOM 0 HD13 LEU B 45 80.096 -16.212 44.104 1.00 0.00 H new ATOM 0 HD21 LEU B 45 81.242 -13.799 42.564 1.00 0.00 H new ATOM 0 HD22 LEU B 45 81.212 -13.959 44.336 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.749 -13.647 43.497 1.00 0.00 H new ATOM 1545 N LYS B 46 86.076 -15.551 46.059 1.00 0.00 N ATOM 1546 CA LYS B 46 86.887 -16.009 47.220 1.00 0.00 C ATOM 1547 C LYS B 46 86.496 -15.191 48.454 1.00 0.00 C ATOM 1548 O LYS B 46 87.037 -15.366 49.528 1.00 0.00 O ATOM 1549 CB LYS B 46 88.374 -15.798 46.911 1.00 0.00 C ATOM 1550 CG LYS B 46 88.677 -14.297 46.840 1.00 0.00 C ATOM 1551 CD LYS B 46 90.061 -14.087 46.225 1.00 0.00 C ATOM 1552 CE LYS B 46 90.482 -12.624 46.377 1.00 0.00 C ATOM 1553 NZ LYS B 46 90.941 -12.378 47.773 1.00 0.00 N ATOM 0 H LYS B 46 86.513 -14.824 45.492 1.00 0.00 H new ATOM 0 HA LYS B 46 86.704 -17.067 47.410 1.00 0.00 H new ATOM 0 HB2 LYS B 46 88.986 -16.267 47.682 1.00 0.00 H new ATOM 0 HB3 LYS B 46 88.631 -16.276 45.966 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.920 -13.790 46.241 1.00 0.00 H new ATOM 0 HG3 LYS B 46 88.640 -13.860 47.838 1.00 0.00 H new ATOM 0 HD2 LYS B 46 90.788 -14.736 46.713 1.00 0.00 H new ATOM 0 HD3 LYS B 46 90.045 -14.362 45.170 1.00 0.00 H new ATOM 0 HE2 LYS B 46 91.282 -12.390 45.674 1.00 0.00 H new ATOM 0 HE3 LYS B 46 89.645 -11.968 46.138 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 91.428 -11.460 47.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 90.120 -12.369 48.412 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 91.596 -13.133 48.061 1.00 0.00 H new ATOM 1567 N GLY B 47 85.564 -14.289 48.299 1.00 0.00 N ATOM 1568 CA GLY B 47 85.135 -13.446 49.452 1.00 0.00 C ATOM 1569 C GLY B 47 84.160 -14.232 50.332 1.00 0.00 C ATOM 1570 O GLY B 47 83.694 -15.292 49.966 1.00 0.00 O ATOM 0 H GLY B 47 85.080 -14.099 47.421 1.00 0.00 H new ATOM 0 HA2 GLY B 47 86.004 -13.143 50.036 1.00 0.00 H new ATOM 0 HA3 GLY B 47 84.660 -12.534 49.091 1.00 0.00 H new ATOM 1574 N GLU B 48 83.854 -13.722 51.495 1.00 0.00 N ATOM 1575 CA GLU B 48 82.914 -14.443 52.403 1.00 0.00 C ATOM 1576 C GLU B 48 81.485 -13.992 52.124 1.00 0.00 C ATOM 1577 O GLU B 48 81.222 -12.826 51.906 1.00 0.00 O ATOM 1578 CB GLU B 48 83.267 -14.129 53.857 1.00 0.00 C ATOM 1579 CG GLU B 48 84.699 -14.587 54.133 1.00 0.00 C ATOM 1580 CD GLU B 48 85.031 -14.374 55.610 1.00 0.00 C ATOM 1581 OE1 GLU B 48 84.161 -13.914 56.331 1.00 0.00 O ATOM 1582 OE2 GLU B 48 86.147 -14.679 55.995 1.00 0.00 O ATOM 0 H GLU B 48 84.214 -12.838 51.856 1.00 0.00 H new ATOM 0 HA GLU B 48 82.998 -15.516 52.229 1.00 0.00 H new ATOM 0 HB2 GLU B 48 83.171 -13.060 54.045 1.00 0.00 H new ATOM 0 HB3 GLU B 48 82.574 -14.634 54.530 1.00 0.00 H new ATOM 0 HG2 GLU B 48 84.811 -15.640 53.873 1.00 0.00 H new ATOM 0 HG3 GLU B 48 85.397 -14.028 53.509 1.00 0.00 H new ATOM 1589 N ALA B 49 80.557 -14.906 52.138 1.00 0.00 N ATOM 1590 CA ALA B 49 79.141 -14.532 51.883 1.00 0.00 C ATOM 1591 C ALA B 49 78.578 -13.818 53.115 1.00 0.00 C ATOM 1592 O ALA B 49 79.093 -13.945 54.207 1.00 0.00 O ATOM 1593 CB ALA B 49 78.332 -15.797 51.594 1.00 0.00 C ATOM 0 H ALA B 49 80.719 -15.897 52.315 1.00 0.00 H new ATOM 0 HA ALA B 49 79.080 -13.864 51.024 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.292 -15.529 51.406 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.742 -16.298 50.717 1.00 0.00 H new ATOM 0 HB3 ALA B 49 78.385 -16.467 52.452 1.00 0.00 H new ATOM 1599 N MET B 50 77.531 -13.057 52.947 1.00 0.00 N ATOM 1600 CA MET B 50 76.947 -12.329 54.110 1.00 0.00 C ATOM 1601 C MET B 50 76.222 -13.321 55.029 1.00 0.00 C ATOM 1602 O MET B 50 75.479 -14.169 54.580 1.00 0.00 O ATOM 1603 CB MET B 50 75.954 -11.281 53.596 1.00 0.00 C ATOM 1604 CG MET B 50 75.574 -10.314 54.719 1.00 0.00 C ATOM 1605 SD MET B 50 74.330 -11.093 55.779 1.00 0.00 S ATOM 1606 CE MET B 50 74.465 -9.945 57.164 1.00 0.00 C ATOM 0 H MET B 50 77.055 -12.908 52.057 1.00 0.00 H new ATOM 0 HA MET B 50 77.741 -11.838 54.673 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.394 -10.729 52.765 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.060 -11.774 53.213 1.00 0.00 H new ATOM 0 HG2 MET B 50 76.456 -10.053 55.304 1.00 0.00 H new ATOM 0 HG3 MET B 50 75.183 -9.387 54.300 1.00 0.00 H new ATOM 0 HE1 MET B 50 73.771 -10.241 57.951 1.00 0.00 H new ATOM 0 HE2 MET B 50 75.483 -9.962 57.553 1.00 0.00 H new ATOM 0 HE3 MET B 50 74.222 -8.937 56.826 1.00 0.00 H new ATOM 1616 N HIS B 51 76.436 -13.218 56.316 1.00 0.00 N ATOM 1617 CA HIS B 51 75.765 -14.150 57.274 1.00 0.00 C ATOM 1618 C HIS B 51 75.583 -13.442 58.625 1.00 0.00 C ATOM 1619 O HIS B 51 75.985 -12.309 58.795 1.00 0.00 O ATOM 1620 CB HIS B 51 76.638 -15.393 57.457 1.00 0.00 C ATOM 1621 CG HIS B 51 77.959 -14.991 58.049 1.00 0.00 C ATOM 1622 ND1 HIS B 51 78.374 -15.425 59.300 1.00 0.00 N ATOM 1623 CD2 HIS B 51 78.971 -14.191 57.576 1.00 0.00 C ATOM 1624 CE1 HIS B 51 79.588 -14.890 59.534 1.00 0.00 C ATOM 1625 NE2 HIS B 51 79.991 -14.130 58.515 1.00 0.00 N ATOM 0 H HIS B 51 77.049 -12.526 56.747 1.00 0.00 H new ATOM 0 HA HIS B 51 74.790 -14.444 56.886 1.00 0.00 H new ATOM 0 HB2 HIS B 51 76.138 -16.110 58.108 1.00 0.00 H new ATOM 0 HB3 HIS B 51 76.792 -15.887 56.498 1.00 0.00 H new ATOM 0 HD2 HIS B 51 78.972 -13.687 56.621 1.00 0.00 H new ATOM 0 HE1 HIS B 51 80.162 -15.056 60.433 1.00 0.00 H new ATOM 0 HE2 HIS B 51 80.866 -13.612 58.441 1.00 0.00 H new ATOM 1633 N GLY B 52 74.983 -14.099 59.586 1.00 0.00 N ATOM 1634 CA GLY B 52 74.783 -13.454 60.922 1.00 0.00 C ATOM 1635 C GLY B 52 74.708 -14.537 61.996 1.00 0.00 C ATOM 1636 O GLY B 52 74.344 -14.281 63.126 1.00 0.00 O ATOM 0 H GLY B 52 74.624 -15.050 59.505 1.00 0.00 H new ATOM 0 HA2 GLY B 52 75.604 -12.770 61.135 1.00 0.00 H new ATOM 0 HA3 GLY B 52 73.867 -12.863 60.920 1.00 0.00 H new ATOM 1640 N GLN B 53 75.047 -15.746 61.648 1.00 0.00 N ATOM 1641 CA GLN B 53 74.997 -16.852 62.643 1.00 0.00 C ATOM 1642 C GLN B 53 73.603 -16.882 63.278 1.00 0.00 C ATOM 1643 O GLN B 53 73.422 -17.334 64.389 1.00 0.00 O ATOM 1644 CB GLN B 53 76.048 -16.614 63.735 1.00 0.00 C ATOM 1645 CG GLN B 53 77.416 -16.323 63.103 1.00 0.00 C ATOM 1646 CD GLN B 53 77.923 -17.546 62.336 1.00 0.00 C ATOM 1647 OE1 GLN B 53 78.050 -18.689 62.955 1.00 0.00 O flip ATOM 1648 NE2 GLN B 53 78.222 -17.459 61.162 1.00 0.00 N flip ATOM 0 H GLN B 53 75.357 -16.017 60.715 1.00 0.00 H new ATOM 0 HA GLN B 53 75.204 -17.801 62.148 1.00 0.00 H new ATOM 0 HB2 GLN B 53 75.745 -15.777 64.365 1.00 0.00 H new ATOM 0 HB3 GLN B 53 76.117 -17.490 64.380 1.00 0.00 H new ATOM 0 HG2 GLN B 53 77.338 -15.470 62.429 1.00 0.00 H new ATOM 0 HG3 GLN B 53 78.131 -16.051 63.879 1.00 0.00 H new ATOM 0 HE21 GLN B 53 78.124 -16.568 60.675 1.00 0.00 H new ATOM 0 HE22 GLN B 53 78.571 -18.277 60.663 1.00 0.00 H new ATOM 1657 N VAL B 54 72.619 -16.391 62.574 1.00 0.00 N ATOM 1658 CA VAL B 54 71.229 -16.369 63.122 1.00 0.00 C ATOM 1659 C VAL B 54 71.224 -15.627 64.455 1.00 0.00 C ATOM 1660 O VAL B 54 70.243 -15.593 65.169 1.00 0.00 O ATOM 1661 CB VAL B 54 70.734 -17.802 63.325 1.00 0.00 C ATOM 1662 CG1 VAL B 54 69.205 -17.814 63.460 1.00 0.00 C ATOM 1663 CG2 VAL B 54 71.147 -18.654 62.122 1.00 0.00 C ATOM 0 H VAL B 54 72.718 -16.001 61.637 1.00 0.00 H new ATOM 0 HA VAL B 54 70.568 -15.859 62.421 1.00 0.00 H new ATOM 0 HB VAL B 54 71.175 -18.210 64.235 1.00 0.00 H new ATOM 0 HG11 VAL B 54 68.861 -18.838 63.604 1.00 0.00 H new ATOM 0 HG12 VAL B 54 68.911 -17.208 64.317 1.00 0.00 H new ATOM 0 HG13 VAL B 54 68.757 -17.404 62.555 1.00 0.00 H new ATOM 0 HG21 VAL B 54 70.796 -19.676 62.263 1.00 0.00 H new ATOM 0 HG22 VAL B 54 70.706 -18.241 61.215 1.00 0.00 H new ATOM 0 HG23 VAL B 54 72.233 -18.653 62.031 1.00 0.00 H new ATOM 1673 N ASP B 55 72.326 -15.039 64.791 1.00 0.00 N ATOM 1674 CA ASP B 55 72.426 -14.296 66.076 1.00 0.00 C ATOM 1675 C ASP B 55 71.976 -12.847 65.864 1.00 0.00 C ATOM 1676 O ASP B 55 71.225 -12.610 64.935 1.00 0.00 O ATOM 1677 CB ASP B 55 73.876 -14.329 66.550 1.00 0.00 C ATOM 1678 CG ASP B 55 74.249 -15.766 66.915 1.00 0.00 C ATOM 1679 OD1 ASP B 55 73.345 -16.569 67.078 1.00 0.00 O ATOM 1680 OD2 ASP B 55 75.433 -16.043 67.021 1.00 0.00 O ATOM 1681 OXT ASP B 55 72.383 -12.002 66.641 1.00 0.00 O ATOM 0 H ASP B 55 73.176 -15.038 64.227 1.00 0.00 H new ATOM 0 HA ASP B 55 71.786 -14.758 66.828 1.00 0.00 H new ATOM 0 HB2 ASP B 55 74.536 -13.956 65.767 1.00 0.00 H new ATOM 0 HB3 ASP B 55 74.005 -13.676 67.413 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 78.823 -2.014 35.545 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.867 -20.875 40.056 1.00 0.00 ZN