USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -2.68 X(o=-5.6,f=-5.9!) USER MOD Set 1.2: B 44 GLN : amide:sc= -2.94! K(o=-5.6!,f=-6.3) USER MOD Set 2.1: B 12 HIS : no HE2:sc= -1.53 K(o=-3,f=-4.6) USER MOD Set 2.2: B 16 HIS : no HD1:sc= -1.61 K(o=-3,f=-4.9!) USER MOD Set 2.3: B 40 CYS SG : rot 164:sc= 1.06 USER MOD Set 2.4: B 43 CYS SG : rot 76:sc= -0.951 USER MOD Set 3.1: A 12 HIS : no HE2:sc= -1.21 K(o=-2.9,f=-4.9) USER MOD Set 3.2: A 16 HIS : no HD1:sc= -1.44 K(o=-2.9,f=-5!) USER MOD Set 3.3: A 40 CYS SG : rot 166:sc= 1.04 USER MOD Set 3.4: A 43 CYS SG : rot 75:sc= -1.25 USER MOD Single : A 1 PHE N :NH3+ 151:sc= 0.252 (180deg=0.0552) USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -0.0999 (180deg=-0.706) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= -0.211 (180deg=-1.35!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -94:sc= 0.998 USER MOD Single : A 18 ASN : amide:sc= -0.0238 K(o=-0.024,f=-1.3!) USER MOD Single : A 22 MET CE :methyl 164:sc= -0.449 (180deg=-1.62) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0605 K(o=-0.06,f=-1.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 119:sc= 0.853 USER MOD Single : A 42 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0947) USER MOD Single : B 1 PHE N :NH3+ 154:sc= 0.25 (180deg=0.0611) USER MOD Single : B 7 LYS NZ :NH3+ 138:sc= -0.108 (180deg=-0.823) USER MOD Single : B 9 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 144:sc= -0.336 (180deg=-1.23!) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -83:sc= 0.998 USER MOD Single : B 18 ASN : amide:sc= -0.0144 K(o=-0.014,f=-1) USER MOD Single : B 22 MET CE :methyl 166:sc= -0.445 (180deg=-1.37) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0547 K(o=-0.055,f=-2.4!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 127:sc= 0.868 USER MOD Single : B 42 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.125) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.525 -3.722 23.877 1.00 0.00 N ATOM 2 CA PHE A 1 94.371 -4.300 25.237 1.00 0.00 C ATOM 3 C PHE A 1 94.000 -3.202 26.237 1.00 0.00 C ATOM 4 O PHE A 1 92.852 -2.845 26.383 1.00 0.00 O ATOM 5 CB PHE A 1 95.689 -4.950 25.664 1.00 0.00 C ATOM 6 CG PHE A 1 95.850 -6.280 24.967 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.307 -7.444 25.538 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.537 -6.354 23.753 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.456 -8.680 24.890 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.688 -7.587 23.109 1.00 0.00 C ATOM 11 CZ PHE A 1 96.145 -8.751 23.675 1.00 0.00 C ATOM 0 H1 PHE A 1 95.211 -4.286 23.336 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.606 -3.732 23.389 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.866 -2.742 23.953 1.00 0.00 H new ATOM 0 HA PHE A 1 93.578 -5.048 25.218 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.525 -4.296 25.417 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.703 -5.091 26.745 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.775 -7.387 26.476 1.00 0.00 H new ATOM 0 HD2 PHE A 1 96.952 -5.460 23.312 1.00 0.00 H new ATOM 0 HE1 PHE A 1 95.039 -9.575 25.329 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.224 -7.643 22.173 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.259 -9.700 23.173 1.00 0.00 H new ATOM 23 N LEU A 2 94.968 -2.672 26.934 1.00 0.00 N ATOM 24 CA LEU A 2 94.670 -1.618 27.947 1.00 0.00 C ATOM 25 C LEU A 2 94.013 -0.407 27.279 1.00 0.00 C ATOM 26 O LEU A 2 93.117 0.203 27.830 1.00 0.00 O ATOM 27 CB LEU A 2 95.982 -1.172 28.599 1.00 0.00 C ATOM 28 CG LEU A 2 96.629 -2.365 29.322 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.068 -2.009 29.707 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.826 -2.720 30.592 1.00 0.00 C ATOM 0 H LEU A 2 95.953 -2.923 26.846 1.00 0.00 H new ATOM 0 HA LEU A 2 93.990 -2.025 28.695 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.661 -0.780 27.842 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.793 -0.364 29.306 1.00 0.00 H new ATOM 0 HG LEU A 2 96.630 -3.226 28.654 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.527 -2.854 30.220 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.638 -1.777 28.808 1.00 0.00 H new ATOM 0 HD13 LEU A 2 98.064 -1.142 30.368 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.295 -3.566 31.094 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.810 -1.862 31.264 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.805 -2.983 30.315 1.00 0.00 H new ATOM 42 N ASP A 3 94.466 -0.045 26.111 1.00 0.00 N ATOM 43 CA ASP A 3 93.897 1.149 25.413 1.00 0.00 C ATOM 44 C ASP A 3 92.415 0.935 25.095 1.00 0.00 C ATOM 45 O ASP A 3 91.604 1.823 25.256 1.00 0.00 O ATOM 46 CB ASP A 3 94.669 1.376 24.107 1.00 0.00 C ATOM 47 CG ASP A 3 96.087 1.861 24.435 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.292 2.321 25.545 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.949 1.753 23.575 1.00 0.00 O ATOM 0 H ASP A 3 95.210 -0.526 25.605 1.00 0.00 H new ATOM 0 HA ASP A 3 93.990 2.018 26.064 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.712 0.452 23.531 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.154 2.112 23.490 1.00 0.00 H new ATOM 54 N GLY A 4 92.055 -0.230 24.645 1.00 0.00 N ATOM 55 CA GLY A 4 90.626 -0.491 24.320 1.00 0.00 C ATOM 56 C GLY A 4 89.781 -0.395 25.588 1.00 0.00 C ATOM 57 O GLY A 4 88.669 0.094 25.568 1.00 0.00 O ATOM 0 H GLY A 4 92.687 -1.015 24.487 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.274 0.230 23.582 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.520 -1.480 23.875 1.00 0.00 H new ATOM 61 N ILE A 5 90.296 -0.877 26.681 1.00 0.00 N ATOM 62 CA ILE A 5 89.535 -0.850 27.967 1.00 0.00 C ATOM 63 C ILE A 5 89.279 0.595 28.412 1.00 0.00 C ATOM 64 O ILE A 5 88.225 0.926 28.920 1.00 0.00 O ATOM 65 CB ILE A 5 90.341 -1.585 29.039 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.357 -3.084 28.728 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.690 -1.369 30.410 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.348 -3.783 29.662 1.00 0.00 C ATOM 0 H ILE A 5 91.224 -1.295 26.743 1.00 0.00 H new ATOM 0 HA ILE A 5 88.573 -1.341 27.822 1.00 0.00 H new ATOM 0 HB ILE A 5 91.360 -1.198 29.050 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.360 -3.505 28.856 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.641 -3.249 27.689 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.266 -1.893 31.173 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.670 -0.304 30.639 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.671 -1.756 30.394 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.362 -4.851 29.444 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.345 -3.368 29.511 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.044 -3.628 30.697 1.00 0.00 H new ATOM 80 N ASP A 6 90.247 1.450 28.258 1.00 0.00 N ATOM 81 CA ASP A 6 90.072 2.863 28.709 1.00 0.00 C ATOM 82 C ASP A 6 88.908 3.499 27.964 1.00 0.00 C ATOM 83 O ASP A 6 88.048 4.115 28.561 1.00 0.00 O ATOM 84 CB ASP A 6 91.349 3.646 28.400 1.00 0.00 C ATOM 85 CG ASP A 6 91.187 5.090 28.876 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.721 5.899 28.098 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.528 5.356 30.019 1.00 0.00 O ATOM 0 H ASP A 6 91.153 1.236 27.840 1.00 0.00 H new ATOM 0 HA ASP A 6 89.870 2.880 29.780 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.202 3.182 28.895 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.552 3.625 27.329 1.00 0.00 H new ATOM 92 N LYS A 7 88.857 3.353 26.677 1.00 0.00 N ATOM 93 CA LYS A 7 87.720 3.958 25.932 1.00 0.00 C ATOM 94 C LYS A 7 86.438 3.218 26.286 1.00 0.00 C ATOM 95 O LYS A 7 85.385 3.805 26.451 1.00 0.00 O ATOM 96 CB LYS A 7 87.971 3.844 24.434 1.00 0.00 C ATOM 97 CG LYS A 7 89.162 4.719 24.070 1.00 0.00 C ATOM 98 CD LYS A 7 89.438 4.624 22.569 1.00 0.00 C ATOM 99 CE LYS A 7 90.638 5.506 22.227 1.00 0.00 C ATOM 100 NZ LYS A 7 91.835 4.969 22.926 1.00 0.00 N ATOM 0 H LYS A 7 89.540 2.849 26.111 1.00 0.00 H new ATOM 0 HA LYS A 7 87.626 5.009 26.204 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.167 2.807 24.162 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.088 4.158 23.878 1.00 0.00 H new ATOM 0 HG2 LYS A 7 88.962 5.754 24.347 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.041 4.403 24.631 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.638 3.590 22.288 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.562 4.944 22.004 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.803 5.519 21.150 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.451 6.535 22.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.695 5.281 22.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.852 5.320 23.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 91.796 3.930 22.932 1.00 0.00 H new ATOM 114 N ALA A 8 86.522 1.929 26.399 1.00 0.00 N ATOM 115 CA ALA A 8 85.323 1.113 26.739 1.00 0.00 C ATOM 116 C ALA A 8 84.852 1.413 28.166 1.00 0.00 C ATOM 117 O ALA A 8 83.675 1.406 28.453 1.00 0.00 O ATOM 118 CB ALA A 8 85.696 -0.360 26.638 1.00 0.00 C ATOM 0 H ALA A 8 87.381 1.394 26.269 1.00 0.00 H new ATOM 0 HA ALA A 8 84.516 1.356 26.047 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.829 -0.973 26.884 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.022 -0.584 25.622 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.505 -0.579 27.335 1.00 0.00 H new ATOM 124 N GLN A 9 85.765 1.647 29.073 1.00 0.00 N ATOM 125 CA GLN A 9 85.359 1.909 30.484 1.00 0.00 C ATOM 126 C GLN A 9 84.556 3.205 30.564 1.00 0.00 C ATOM 127 O GLN A 9 84.912 4.202 29.972 1.00 0.00 O ATOM 128 CB GLN A 9 86.617 2.033 31.351 1.00 0.00 C ATOM 129 CG GLN A 9 86.221 2.120 32.825 1.00 0.00 C ATOM 130 CD GLN A 9 87.466 2.299 33.702 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.660 2.137 33.190 1.00 0.00 O flip ATOM 132 NE2 GLN A 9 87.352 2.593 34.870 1.00 0.00 N flip ATOM 0 H GLN A 9 86.770 1.668 28.898 1.00 0.00 H new ATOM 0 HA GLN A 9 84.740 1.086 30.842 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.268 1.174 31.190 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.182 2.919 31.064 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.538 2.956 32.976 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.688 1.216 33.119 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.425 2.721 35.276 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.183 2.713 35.449 1.00 0.00 H new ATOM 141 N GLU A 10 83.476 3.200 31.308 1.00 0.00 N ATOM 142 CA GLU A 10 82.644 4.435 31.444 1.00 0.00 C ATOM 143 C GLU A 10 81.742 4.290 32.680 1.00 0.00 C ATOM 144 O GLU A 10 81.854 3.345 33.435 1.00 0.00 O ATOM 145 CB GLU A 10 81.780 4.621 30.170 1.00 0.00 C ATOM 146 CG GLU A 10 82.303 5.785 29.310 1.00 0.00 C ATOM 147 CD GLU A 10 81.958 7.121 29.973 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.812 7.289 30.362 1.00 0.00 O ATOM 149 OE2 GLU A 10 82.841 7.958 30.070 1.00 0.00 O ATOM 0 H GLU A 10 83.135 2.391 31.828 1.00 0.00 H new ATOM 0 HA GLU A 10 83.285 5.308 31.562 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.787 3.701 29.585 1.00 0.00 H new ATOM 0 HB3 GLU A 10 80.745 4.811 30.454 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.382 5.699 29.185 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.862 5.739 28.314 1.00 0.00 H new ATOM 156 N GLU A 11 80.851 5.220 32.894 1.00 0.00 N ATOM 157 CA GLU A 11 79.957 5.131 34.083 1.00 0.00 C ATOM 158 C GLU A 11 79.115 3.860 33.981 1.00 0.00 C ATOM 159 O GLU A 11 78.793 3.403 32.902 1.00 0.00 O ATOM 160 CB GLU A 11 79.032 6.354 34.128 1.00 0.00 C ATOM 161 CG GLU A 11 78.124 6.279 35.363 1.00 0.00 C ATOM 162 CD GLU A 11 77.205 7.502 35.399 1.00 0.00 C ATOM 163 OE1 GLU A 11 77.691 8.579 35.703 1.00 0.00 O ATOM 164 OE2 GLU A 11 76.025 7.340 35.123 1.00 0.00 O ATOM 0 H GLU A 11 80.704 6.035 32.299 1.00 0.00 H new ATOM 0 HA GLU A 11 80.559 5.104 34.991 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.625 7.268 34.157 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.426 6.396 33.223 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.530 5.366 35.335 1.00 0.00 H new ATOM 0 HG3 GLU A 11 78.728 6.239 36.269 1.00 0.00 H new ATOM 171 N HIS A 12 78.753 3.289 35.096 1.00 0.00 N ATOM 172 CA HIS A 12 77.929 2.050 35.060 1.00 0.00 C ATOM 173 C HIS A 12 76.541 2.396 34.512 1.00 0.00 C ATOM 174 O HIS A 12 75.591 2.600 35.244 1.00 0.00 O ATOM 175 CB HIS A 12 77.810 1.466 36.472 1.00 0.00 C ATOM 176 CG HIS A 12 76.964 0.210 36.450 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.504 -1.049 36.208 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.616 0.003 36.648 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.498 -1.947 36.268 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.332 -1.357 36.532 1.00 0.00 N ATOM 0 H HIS A 12 78.992 3.626 36.029 1.00 0.00 H new ATOM 0 HA HIS A 12 78.400 1.308 34.416 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.801 1.238 36.864 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.364 2.202 37.141 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.485 -1.256 36.019 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.891 0.775 36.860 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.622 -3.010 36.121 1.00 0.00 H new ATOM 188 N GLU A 13 76.431 2.468 33.214 1.00 0.00 N ATOM 189 CA GLU A 13 75.121 2.805 32.578 1.00 0.00 C ATOM 190 C GLU A 13 74.416 1.506 32.152 1.00 0.00 C ATOM 191 O GLU A 13 74.754 0.426 32.607 1.00 0.00 O ATOM 192 CB GLU A 13 75.374 3.681 31.344 1.00 0.00 C ATOM 193 CG GLU A 13 75.968 5.027 31.779 1.00 0.00 C ATOM 194 CD GLU A 13 76.322 5.856 30.548 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.850 5.286 29.606 1.00 0.00 O ATOM 196 OE2 GLU A 13 76.062 7.046 30.567 1.00 0.00 O ATOM 0 H GLU A 13 77.197 2.307 32.560 1.00 0.00 H new ATOM 0 HA GLU A 13 74.491 3.344 33.286 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.056 3.175 30.661 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.442 3.842 30.803 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.253 5.567 32.400 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.858 4.863 32.387 1.00 0.00 H new ATOM 203 N LYS A 14 73.440 1.595 31.282 1.00 0.00 N ATOM 204 CA LYS A 14 72.717 0.365 30.830 1.00 0.00 C ATOM 205 C LYS A 14 73.679 -0.493 29.994 1.00 0.00 C ATOM 206 O LYS A 14 73.576 -1.706 29.957 1.00 0.00 O ATOM 207 CB LYS A 14 71.509 0.777 29.969 1.00 0.00 C ATOM 208 CG LYS A 14 70.463 1.447 30.859 1.00 0.00 C ATOM 209 CD LYS A 14 69.387 2.132 29.994 1.00 0.00 C ATOM 210 CE LYS A 14 68.450 1.092 29.380 1.00 0.00 C ATOM 211 NZ LYS A 14 67.919 0.227 30.462 1.00 0.00 N ATOM 0 H LYS A 14 73.112 2.466 30.865 1.00 0.00 H new ATOM 0 HA LYS A 14 72.368 -0.205 31.691 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.825 1.461 29.181 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.081 -0.098 29.479 1.00 0.00 H new ATOM 0 HG2 LYS A 14 69.999 0.705 31.509 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.942 2.182 31.506 1.00 0.00 H new ATOM 0 HD2 LYS A 14 68.814 2.832 30.603 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.863 2.713 29.204 1.00 0.00 H new ATOM 0 HE2 LYS A 14 67.632 1.585 28.855 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.984 0.491 28.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.977 -0.124 30.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 68.560 -0.578 30.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 67.847 0.777 31.342 1.00 0.00 H new ATOM 225 N TYR A 15 74.607 0.136 29.323 1.00 0.00 N ATOM 226 CA TYR A 15 75.581 -0.614 28.473 1.00 0.00 C ATOM 227 C TYR A 15 76.377 -1.603 29.334 1.00 0.00 C ATOM 228 O TYR A 15 76.707 -2.690 28.896 1.00 0.00 O ATOM 229 CB TYR A 15 76.532 0.378 27.787 1.00 0.00 C ATOM 230 CG TYR A 15 75.814 1.017 26.623 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.957 2.100 26.842 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.990 0.514 25.328 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.275 2.683 25.771 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.312 1.099 24.256 1.00 0.00 C ATOM 235 CZ TYR A 15 74.452 2.185 24.475 1.00 0.00 C ATOM 236 OH TYR A 15 73.774 2.758 23.411 1.00 0.00 O ATOM 0 H TYR A 15 74.734 1.148 29.327 1.00 0.00 H new ATOM 0 HA TYR A 15 75.039 -1.175 27.711 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.856 1.141 28.495 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.428 -0.137 27.441 1.00 0.00 H new ATOM 0 HD1 TYR A 15 74.822 2.487 27.841 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.649 -0.325 25.158 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.612 3.518 25.943 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.450 0.714 23.256 1.00 0.00 H new ATOM 0 HH TYR A 15 74.012 2.292 22.582 1.00 0.00 H new ATOM 246 N HIS A 16 76.677 -1.248 30.554 1.00 0.00 N ATOM 247 CA HIS A 16 77.430 -2.184 31.430 1.00 0.00 C ATOM 248 C HIS A 16 76.613 -3.468 31.608 1.00 0.00 C ATOM 249 O HIS A 16 77.151 -4.560 31.591 1.00 0.00 O ATOM 250 CB HIS A 16 77.658 -1.525 32.801 1.00 0.00 C ATOM 251 CG HIS A 16 78.910 -0.684 32.765 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.754 -0.564 33.865 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.473 0.082 31.773 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.768 0.248 33.510 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.642 0.665 32.248 1.00 0.00 N ATOM 0 H HIS A 16 76.433 -0.353 30.979 1.00 0.00 H new ATOM 0 HA HIS A 16 78.393 -2.422 30.978 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.801 -0.905 33.063 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.746 -2.290 33.572 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.070 0.211 30.779 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.581 0.527 34.164 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.273 1.283 31.738 1.00 0.00 H new ATOM 263 N SER A 17 75.317 -3.350 31.768 1.00 0.00 N ATOM 264 CA SER A 17 74.478 -4.568 31.946 1.00 0.00 C ATOM 265 C SER A 17 74.616 -5.437 30.701 1.00 0.00 C ATOM 266 O SER A 17 74.718 -6.648 30.775 1.00 0.00 O ATOM 267 CB SER A 17 73.015 -4.149 32.115 1.00 0.00 C ATOM 268 OG SER A 17 72.487 -3.729 30.862 1.00 0.00 O ATOM 0 H SER A 17 74.809 -2.466 31.782 1.00 0.00 H new ATOM 0 HA SER A 17 74.800 -5.124 32.827 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.431 -4.983 32.505 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.940 -3.340 32.841 1.00 0.00 H new ATOM 0 HG SER A 17 72.571 -2.756 30.781 1.00 0.00 H new ATOM 274 N ASN A 18 74.641 -4.818 29.551 1.00 0.00 N ATOM 275 CA ASN A 18 74.796 -5.575 28.279 1.00 0.00 C ATOM 276 C ASN A 18 76.256 -5.534 27.852 1.00 0.00 C ATOM 277 O ASN A 18 76.672 -4.641 27.136 1.00 0.00 O ATOM 278 CB ASN A 18 73.943 -4.918 27.195 1.00 0.00 C ATOM 279 CG ASN A 18 72.470 -5.068 27.554 1.00 0.00 C ATOM 280 OD1 ASN A 18 72.079 -6.038 28.168 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.638 -4.125 27.210 1.00 0.00 N ATOM 0 H ASN A 18 74.559 -3.807 29.440 1.00 0.00 H new ATOM 0 HA ASN A 18 74.478 -6.608 28.424 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.201 -3.863 27.103 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.143 -5.381 26.229 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.651 -4.200 27.457 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.974 -3.312 26.694 1.00 0.00 H new ATOM 288 N TRP A 19 77.049 -6.474 28.268 1.00 0.00 N ATOM 289 CA TRP A 19 78.475 -6.452 27.852 1.00 0.00 C ATOM 290 C TRP A 19 78.563 -6.766 26.367 1.00 0.00 C ATOM 291 O TRP A 19 79.474 -6.358 25.681 1.00 0.00 O ATOM 292 CB TRP A 19 79.294 -7.481 28.638 1.00 0.00 C ATOM 293 CG TRP A 19 78.824 -8.872 28.346 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.919 -9.566 29.080 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.221 -9.751 27.255 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.753 -10.816 28.518 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.532 -10.979 27.392 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.105 -9.603 26.177 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.721 -12.025 26.488 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.294 -10.650 25.265 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.605 -11.863 25.420 1.00 0.00 C ATOM 0 H TRP A 19 76.777 -7.250 28.872 1.00 0.00 H new ATOM 0 HA TRP A 19 78.882 -5.462 28.056 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.349 -7.387 28.379 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.209 -7.281 29.706 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.411 -9.200 29.960 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.130 -11.532 28.891 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.644 -8.676 26.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.186 -12.955 26.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.975 -10.523 24.437 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.758 -12.668 24.716 1.00 0.00 H new ATOM 312 N ARG A 20 77.626 -7.517 25.872 1.00 0.00 N ATOM 313 CA ARG A 20 77.657 -7.896 24.438 1.00 0.00 C ATOM 314 C ARG A 20 77.583 -6.655 23.556 1.00 0.00 C ATOM 315 O ARG A 20 78.250 -6.559 22.549 1.00 0.00 O ATOM 316 CB ARG A 20 76.458 -8.782 24.141 1.00 0.00 C ATOM 317 CG ARG A 20 76.631 -10.119 24.848 1.00 0.00 C ATOM 318 CD ARG A 20 75.425 -11.003 24.546 1.00 0.00 C ATOM 319 NE ARG A 20 75.544 -12.286 25.283 1.00 0.00 N ATOM 320 CZ ARG A 20 74.496 -13.045 25.433 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.349 -12.687 24.929 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.592 -14.166 26.075 1.00 0.00 N ATOM 0 H ARG A 20 76.836 -7.886 26.401 1.00 0.00 H new ATOM 0 HA ARG A 20 78.588 -8.424 24.229 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.541 -8.297 24.476 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.363 -8.936 23.066 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.547 -10.606 24.513 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.726 -9.966 25.923 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.507 -10.492 24.834 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.361 -11.193 23.475 1.00 0.00 H new ATOM 0 HE ARG A 20 76.443 -12.572 25.671 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.269 -11.810 24.415 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.531 -13.284 25.049 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.489 -14.456 26.464 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.770 -14.759 26.191 1.00 0.00 H new ATOM 336 N ALA A 21 76.783 -5.701 23.909 1.00 0.00 N ATOM 337 CA ALA A 21 76.695 -4.480 23.064 1.00 0.00 C ATOM 338 C ALA A 21 78.057 -3.776 23.031 1.00 0.00 C ATOM 339 O ALA A 21 78.508 -3.310 22.000 1.00 0.00 O ATOM 340 CB ALA A 21 75.657 -3.535 23.653 1.00 0.00 C ATOM 0 H ALA A 21 76.189 -5.707 24.738 1.00 0.00 H new ATOM 0 HA ALA A 21 76.407 -4.761 22.051 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.590 -2.639 23.036 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.687 -4.031 23.680 1.00 0.00 H new ATOM 0 HB3 ALA A 21 75.950 -3.258 24.665 1.00 0.00 H new ATOM 346 N MET A 22 78.722 -3.692 24.150 1.00 0.00 N ATOM 347 CA MET A 22 80.051 -3.019 24.185 1.00 0.00 C ATOM 348 C MET A 22 81.032 -3.771 23.282 1.00 0.00 C ATOM 349 O MET A 22 81.826 -3.176 22.581 1.00 0.00 O ATOM 350 CB MET A 22 80.563 -3.024 25.624 1.00 0.00 C ATOM 351 CG MET A 22 81.938 -2.363 25.694 1.00 0.00 C ATOM 352 SD MET A 22 82.337 -2.008 27.424 1.00 0.00 S ATOM 353 CE MET A 22 82.268 -3.710 28.035 1.00 0.00 C ATOM 0 H MET A 22 78.401 -4.062 25.045 1.00 0.00 H new ATOM 0 HA MET A 22 79.960 -1.993 23.829 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.863 -2.494 26.269 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.624 -4.048 25.993 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.693 -3.019 25.261 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.943 -1.442 25.110 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.754 -3.767 29.009 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.228 -4.021 28.130 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.781 -4.369 27.334 1.00 0.00 H new ATOM 363 N ALA A 23 80.987 -5.073 23.295 1.00 0.00 N ATOM 364 CA ALA A 23 81.922 -5.857 22.445 1.00 0.00 C ATOM 365 C ALA A 23 81.662 -5.536 20.976 1.00 0.00 C ATOM 366 O ALA A 23 82.575 -5.390 20.184 1.00 0.00 O ATOM 367 CB ALA A 23 81.694 -7.347 22.683 1.00 0.00 C ATOM 0 H ALA A 23 80.342 -5.628 23.858 1.00 0.00 H new ATOM 0 HA ALA A 23 82.950 -5.598 22.700 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.378 -7.924 22.061 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.874 -7.580 23.733 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.666 -7.603 22.426 1.00 0.00 H new ATOM 373 N SER A 24 80.422 -5.431 20.613 1.00 0.00 N ATOM 374 CA SER A 24 80.080 -5.121 19.201 1.00 0.00 C ATOM 375 C SER A 24 80.464 -3.679 18.869 1.00 0.00 C ATOM 376 O SER A 24 80.955 -3.391 17.795 1.00 0.00 O ATOM 377 CB SER A 24 78.579 -5.310 19.004 1.00 0.00 C ATOM 378 OG SER A 24 78.264 -5.181 17.624 1.00 0.00 O ATOM 0 H SER A 24 79.623 -5.547 21.236 1.00 0.00 H new ATOM 0 HA SER A 24 80.630 -5.790 18.539 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.274 -6.291 19.368 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.029 -4.570 19.585 1.00 0.00 H new ATOM 0 HG SER A 24 77.300 -5.304 17.496 1.00 0.00 H new ATOM 384 N ASP A 25 80.247 -2.769 19.776 1.00 0.00 N ATOM 385 CA ASP A 25 80.594 -1.353 19.500 1.00 0.00 C ATOM 386 C ASP A 25 82.100 -1.231 19.249 1.00 0.00 C ATOM 387 O ASP A 25 82.531 -0.509 18.376 1.00 0.00 O ATOM 388 CB ASP A 25 80.190 -0.492 20.698 1.00 0.00 C ATOM 389 CG ASP A 25 78.664 -0.387 20.760 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.079 0.081 19.796 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.109 -0.780 21.771 1.00 0.00 O ATOM 0 H ASP A 25 79.844 -2.947 20.696 1.00 0.00 H new ATOM 0 HA ASP A 25 80.060 -1.010 18.614 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.573 -0.930 21.620 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.630 0.501 20.610 1.00 0.00 H new ATOM 396 N PHE A 26 82.896 -1.946 20.000 1.00 0.00 N ATOM 397 CA PHE A 26 84.382 -1.876 19.805 1.00 0.00 C ATOM 398 C PHE A 26 84.850 -3.074 18.980 1.00 0.00 C ATOM 399 O PHE A 26 86.020 -3.229 18.712 1.00 0.00 O ATOM 400 CB PHE A 26 85.076 -1.882 21.167 1.00 0.00 C ATOM 401 CG PHE A 26 84.843 -0.548 21.850 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.603 -0.261 22.442 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.873 0.399 21.893 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.402 0.977 23.075 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.665 1.631 22.523 1.00 0.00 C ATOM 406 CZ PHE A 26 84.434 1.920 23.115 1.00 0.00 C ATOM 0 H PHE A 26 82.586 -2.576 20.740 1.00 0.00 H new ATOM 0 HA PHE A 26 84.635 -0.957 19.276 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.687 -2.693 21.783 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.144 -2.060 21.044 1.00 0.00 H new ATOM 0 HD1 PHE A 26 82.806 -0.989 22.411 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.828 0.179 21.440 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.449 1.201 23.531 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.460 2.361 22.551 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.279 2.871 23.603 1.00 0.00 H new ATOM 416 N ASN A 27 83.944 -3.918 18.566 1.00 0.00 N ATOM 417 CA ASN A 27 84.354 -5.100 17.753 1.00 0.00 C ATOM 418 C ASN A 27 85.462 -5.863 18.479 1.00 0.00 C ATOM 419 O ASN A 27 86.480 -6.199 17.902 1.00 0.00 O ATOM 420 CB ASN A 27 84.851 -4.636 16.383 1.00 0.00 C ATOM 421 CG ASN A 27 83.670 -4.154 15.544 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.546 -4.572 15.749 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.879 -3.285 14.597 1.00 0.00 N ATOM 0 H ASN A 27 82.944 -3.842 18.754 1.00 0.00 H new ATOM 0 HA ASN A 27 83.497 -5.760 17.616 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.577 -3.832 16.502 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.361 -5.454 15.874 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.100 -2.955 14.027 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.821 -2.935 14.425 1.00 0.00 H new ATOM 430 N LEU A 28 85.270 -6.146 19.746 1.00 0.00 N ATOM 431 CA LEU A 28 86.300 -6.898 20.536 1.00 0.00 C ATOM 432 C LEU A 28 85.673 -8.213 21.004 1.00 0.00 C ATOM 433 O LEU A 28 84.477 -8.283 21.216 1.00 0.00 O ATOM 434 CB LEU A 28 86.701 -6.071 21.764 1.00 0.00 C ATOM 435 CG LEU A 28 87.478 -4.820 21.327 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.570 -3.855 22.517 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.903 -5.199 20.861 1.00 0.00 C ATOM 0 H LEU A 28 84.436 -5.886 20.272 1.00 0.00 H new ATOM 0 HA LEU A 28 87.181 -7.089 19.924 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.811 -5.779 22.322 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.314 -6.674 22.434 1.00 0.00 H new ATOM 0 HG LEU A 28 86.956 -4.347 20.495 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.120 -2.962 22.220 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.566 -3.574 22.836 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.089 -4.343 23.342 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.437 -4.299 20.556 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.438 -5.678 21.681 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.839 -5.887 20.018 1.00 0.00 H new ATOM 449 N PRO A 29 86.456 -9.251 21.169 1.00 0.00 N ATOM 450 CA PRO A 29 85.923 -10.564 21.627 1.00 0.00 C ATOM 451 C PRO A 29 85.485 -10.501 23.103 1.00 0.00 C ATOM 452 O PRO A 29 86.047 -9.751 23.875 1.00 0.00 O ATOM 453 CB PRO A 29 87.108 -11.531 21.436 1.00 0.00 C ATOM 454 CG PRO A 29 88.332 -10.668 21.485 1.00 0.00 C ATOM 455 CD PRO A 29 87.915 -9.299 20.939 1.00 0.00 C ATOM 0 HA PRO A 29 85.037 -10.874 21.073 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.129 -12.288 22.220 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.036 -12.059 20.485 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.707 -10.582 22.505 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.135 -11.097 20.886 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.428 -8.489 21.458 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.156 -9.201 19.880 1.00 0.00 H new ATOM 463 N PRO A 30 84.490 -11.264 23.498 1.00 0.00 N ATOM 464 CA PRO A 30 84.002 -11.261 24.906 1.00 0.00 C ATOM 465 C PRO A 30 85.146 -11.224 25.941 1.00 0.00 C ATOM 466 O PRO A 30 84.948 -10.870 27.082 1.00 0.00 O ATOM 467 CB PRO A 30 83.228 -12.577 25.019 1.00 0.00 C ATOM 468 CG PRO A 30 82.737 -12.877 23.633 1.00 0.00 C ATOM 469 CD PRO A 30 83.717 -12.207 22.656 1.00 0.00 C ATOM 0 HA PRO A 30 83.405 -10.374 25.118 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.868 -13.378 25.390 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.397 -12.484 25.718 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.697 -13.953 23.462 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.727 -12.494 23.490 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.368 -12.941 22.181 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.188 -11.686 21.858 1.00 0.00 H new ATOM 477 N VAL A 31 86.336 -11.614 25.563 1.00 0.00 N ATOM 478 CA VAL A 31 87.446 -11.623 26.558 1.00 0.00 C ATOM 479 C VAL A 31 87.671 -10.224 27.113 1.00 0.00 C ATOM 480 O VAL A 31 87.718 -10.034 28.311 1.00 0.00 O ATOM 481 CB VAL A 31 88.723 -12.097 25.861 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.950 -11.906 26.769 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.569 -13.573 25.494 1.00 0.00 C ATOM 0 H VAL A 31 86.584 -11.922 24.623 1.00 0.00 H new ATOM 0 HA VAL A 31 87.188 -12.290 27.380 1.00 0.00 H new ATOM 0 HB VAL A 31 88.877 -11.503 24.960 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.844 -12.251 26.250 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.059 -10.850 27.017 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.818 -12.482 27.685 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.474 -13.921 24.996 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.405 -14.158 26.399 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.718 -13.695 24.824 1.00 0.00 H new ATOM 493 N VAL A 32 87.806 -9.243 26.273 1.00 0.00 N ATOM 494 CA VAL A 32 88.023 -7.864 26.800 1.00 0.00 C ATOM 495 C VAL A 32 86.750 -7.386 27.476 1.00 0.00 C ATOM 496 O VAL A 32 86.786 -6.748 28.510 1.00 0.00 O ATOM 497 CB VAL A 32 88.393 -6.914 25.664 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.425 -5.467 26.187 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.769 -7.308 25.107 1.00 0.00 C ATOM 0 H VAL A 32 87.777 -9.328 25.257 1.00 0.00 H new ATOM 0 HA VAL A 32 88.841 -7.878 27.520 1.00 0.00 H new ATOM 0 HB VAL A 32 87.650 -6.982 24.869 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.690 -4.792 25.373 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.443 -5.199 26.576 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.165 -5.384 26.983 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.040 -6.633 24.295 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.515 -7.240 25.899 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.730 -8.331 24.731 1.00 0.00 H new ATOM 509 N ALA A 33 85.621 -7.666 26.893 1.00 0.00 N ATOM 510 CA ALA A 33 84.352 -7.212 27.506 1.00 0.00 C ATOM 511 C ALA A 33 84.167 -7.871 28.871 1.00 0.00 C ATOM 512 O ALA A 33 83.773 -7.229 29.829 1.00 0.00 O ATOM 513 CB ALA A 33 83.186 -7.592 26.602 1.00 0.00 C ATOM 0 H ALA A 33 85.525 -8.188 26.022 1.00 0.00 H new ATOM 0 HA ALA A 33 84.384 -6.130 27.630 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.252 -7.258 27.053 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.310 -7.116 25.629 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.161 -8.674 26.476 1.00 0.00 H new ATOM 519 N LYS A 34 84.434 -9.146 28.976 1.00 0.00 N ATOM 520 CA LYS A 34 84.258 -9.830 30.280 1.00 0.00 C ATOM 521 C LYS A 34 85.192 -9.210 31.324 1.00 0.00 C ATOM 522 O LYS A 34 84.825 -9.039 32.471 1.00 0.00 O ATOM 523 CB LYS A 34 84.544 -11.331 30.119 1.00 0.00 C ATOM 524 CG LYS A 34 83.442 -12.016 29.283 1.00 0.00 C ATOM 525 CD LYS A 34 82.204 -12.322 30.150 1.00 0.00 C ATOM 526 CE LYS A 34 81.149 -13.039 29.304 1.00 0.00 C ATOM 527 NZ LYS A 34 80.041 -13.501 30.186 1.00 0.00 N ATOM 0 H LYS A 34 84.765 -9.738 28.214 1.00 0.00 H new ATOM 0 HA LYS A 34 83.230 -9.705 30.620 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.512 -11.471 29.637 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.606 -11.801 31.101 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.158 -11.372 28.451 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.828 -12.941 28.853 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.487 -12.943 31.000 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.793 -11.397 30.554 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.763 -12.367 28.537 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.596 -13.888 28.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.322 -13.989 29.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.417 -14.156 30.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.609 -12.682 30.659 1.00 0.00 H new ATOM 541 N GLU A 35 86.398 -8.883 30.952 1.00 0.00 N ATOM 542 CA GLU A 35 87.338 -8.284 31.945 1.00 0.00 C ATOM 543 C GLU A 35 86.754 -6.977 32.499 1.00 0.00 C ATOM 544 O GLU A 35 86.834 -6.713 33.681 1.00 0.00 O ATOM 545 CB GLU A 35 88.674 -8.004 31.258 1.00 0.00 C ATOM 546 CG GLU A 35 89.690 -7.478 32.283 1.00 0.00 C ATOM 547 CD GLU A 35 89.442 -5.993 32.573 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.955 -5.305 31.694 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.756 -5.573 33.677 1.00 0.00 O ATOM 0 H GLU A 35 86.773 -9.003 30.011 1.00 0.00 H new ATOM 0 HA GLU A 35 87.487 -8.979 32.772 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.052 -8.915 30.793 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.537 -7.273 30.461 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.614 -8.052 33.206 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.703 -7.616 31.904 1.00 0.00 H new ATOM 556 N ILE A 36 86.148 -6.173 31.668 1.00 0.00 N ATOM 557 CA ILE A 36 85.541 -4.903 32.175 1.00 0.00 C ATOM 558 C ILE A 36 84.467 -5.262 33.201 1.00 0.00 C ATOM 559 O ILE A 36 84.315 -4.620 34.228 1.00 0.00 O ATOM 560 CB ILE A 36 84.920 -4.122 31.014 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.046 -3.606 30.118 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.106 -2.942 31.558 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.480 -3.143 28.774 1.00 0.00 C ATOM 0 H ILE A 36 86.046 -6.336 30.666 1.00 0.00 H new ATOM 0 HA ILE A 36 86.305 -4.279 32.638 1.00 0.00 H new ATOM 0 HB ILE A 36 84.256 -4.770 30.442 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.561 -2.780 30.608 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.784 -4.392 29.959 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.666 -2.390 30.728 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.313 -3.315 32.206 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.759 -2.281 32.128 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.291 -2.778 28.144 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.985 -3.979 28.280 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.760 -2.342 28.939 1.00 0.00 H new ATOM 575 N VAL A 37 83.721 -6.289 32.919 1.00 0.00 N ATOM 576 CA VAL A 37 82.652 -6.729 33.854 1.00 0.00 C ATOM 577 C VAL A 37 83.301 -7.218 35.146 1.00 0.00 C ATOM 578 O VAL A 37 82.822 -6.963 36.237 1.00 0.00 O ATOM 579 CB VAL A 37 81.868 -7.877 33.210 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.913 -8.503 34.228 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.064 -7.340 32.028 1.00 0.00 C ATOM 0 H VAL A 37 83.807 -6.849 32.071 1.00 0.00 H new ATOM 0 HA VAL A 37 81.976 -5.902 34.071 1.00 0.00 H new ATOM 0 HB VAL A 37 82.570 -8.637 32.867 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.362 -9.317 33.757 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.484 -8.891 35.072 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.212 -7.747 34.581 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.505 -8.155 31.568 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.370 -6.576 32.377 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.742 -6.905 31.294 1.00 0.00 H new ATOM 591 N ALA A 38 84.393 -7.908 35.031 1.00 0.00 N ATOM 592 CA ALA A 38 85.081 -8.417 36.239 1.00 0.00 C ATOM 593 C ALA A 38 85.660 -7.232 37.018 1.00 0.00 C ATOM 594 O ALA A 38 85.665 -7.224 38.232 1.00 0.00 O ATOM 595 CB ALA A 38 86.194 -9.371 35.806 1.00 0.00 C ATOM 0 H ALA A 38 84.842 -8.143 34.146 1.00 0.00 H new ATOM 0 HA ALA A 38 84.383 -8.954 36.882 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.709 -9.753 36.687 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.764 -10.203 35.248 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.904 -8.838 35.173 1.00 0.00 H new ATOM 601 N SER A 39 86.144 -6.223 36.332 1.00 0.00 N ATOM 602 CA SER A 39 86.715 -5.050 37.050 1.00 0.00 C ATOM 603 C SER A 39 85.593 -4.232 37.686 1.00 0.00 C ATOM 604 O SER A 39 85.724 -3.765 38.798 1.00 0.00 O ATOM 605 CB SER A 39 87.494 -4.163 36.074 1.00 0.00 C ATOM 606 OG SER A 39 88.676 -4.840 35.674 1.00 0.00 O ATOM 0 H SER A 39 86.166 -6.165 35.314 1.00 0.00 H new ATOM 0 HA SER A 39 87.389 -5.411 37.827 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.880 -3.932 35.204 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.746 -3.214 36.547 1.00 0.00 H new ATOM 0 HG SER A 39 88.662 -4.976 34.704 1.00 0.00 H new ATOM 612 N CYS A 40 84.491 -4.060 37.012 1.00 0.00 N ATOM 613 CA CYS A 40 83.386 -3.272 37.627 1.00 0.00 C ATOM 614 C CYS A 40 82.727 -4.128 38.707 1.00 0.00 C ATOM 615 O CYS A 40 82.099 -5.130 38.426 1.00 0.00 O ATOM 616 CB CYS A 40 82.357 -2.885 36.562 1.00 0.00 C ATOM 617 SG CYS A 40 81.307 -1.552 37.198 1.00 0.00 S ATOM 0 H CYS A 40 84.308 -4.424 36.077 1.00 0.00 H new ATOM 0 HA CYS A 40 83.782 -2.357 38.066 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.863 -2.562 35.652 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.747 -3.749 36.298 1.00 0.00 H new ATOM 0 HG CYS A 40 80.639 -1.020 36.217 1.00 0.00 H new ATOM 622 N ASP A 41 82.882 -3.757 39.946 1.00 0.00 N ATOM 623 CA ASP A 41 82.277 -4.568 41.039 1.00 0.00 C ATOM 624 C ASP A 41 80.755 -4.603 40.892 1.00 0.00 C ATOM 625 O ASP A 41 80.130 -5.622 41.104 1.00 0.00 O ATOM 626 CB ASP A 41 82.637 -3.952 42.388 1.00 0.00 C ATOM 627 CG ASP A 41 84.113 -4.182 42.690 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.516 -5.331 42.752 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.823 -3.202 42.856 1.00 0.00 O ATOM 0 H ASP A 41 83.399 -2.931 40.249 1.00 0.00 H new ATOM 0 HA ASP A 41 82.665 -5.585 40.980 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.422 -2.884 42.378 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.024 -4.393 43.174 1.00 0.00 H new ATOM 634 N LYS A 42 80.156 -3.500 40.534 1.00 0.00 N ATOM 635 CA LYS A 42 78.676 -3.473 40.391 1.00 0.00 C ATOM 636 C LYS A 42 78.239 -4.495 39.337 1.00 0.00 C ATOM 637 O LYS A 42 77.246 -5.174 39.509 1.00 0.00 O ATOM 638 CB LYS A 42 78.224 -2.071 39.979 1.00 0.00 C ATOM 639 CG LYS A 42 78.430 -1.108 41.147 1.00 0.00 C ATOM 640 CD LYS A 42 77.982 0.296 40.740 1.00 0.00 C ATOM 641 CE LYS A 42 78.208 1.260 41.912 1.00 0.00 C ATOM 642 NZ LYS A 42 79.661 1.573 42.006 1.00 0.00 N ATOM 0 H LYS A 42 80.628 -2.618 40.335 1.00 0.00 H new ATOM 0 HA LYS A 42 78.217 -3.729 41.346 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.791 -1.734 39.111 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.174 -2.087 39.687 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.861 -1.445 42.014 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.480 -1.095 41.440 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.542 0.630 39.866 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.929 0.287 40.459 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.634 2.175 41.764 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.858 0.812 42.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.806 2.350 42.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 80.177 0.731 42.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 80.016 1.857 41.071 1.00 0.00 H new ATOM 656 N CYS A 43 78.966 -4.625 38.256 1.00 0.00 N ATOM 657 CA CYS A 43 78.584 -5.629 37.222 1.00 0.00 C ATOM 658 C CYS A 43 78.959 -7.035 37.708 1.00 0.00 C ATOM 659 O CYS A 43 78.300 -8.008 37.400 1.00 0.00 O ATOM 660 CB CYS A 43 79.336 -5.348 35.915 1.00 0.00 C ATOM 661 SG CYS A 43 79.121 -3.622 35.425 1.00 0.00 S ATOM 0 H CYS A 43 79.803 -4.081 38.047 1.00 0.00 H new ATOM 0 HA CYS A 43 77.510 -5.564 37.050 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.396 -5.567 36.043 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.968 -6.005 35.127 1.00 0.00 H new ATOM 0 HG CYS A 43 79.850 -2.861 36.186 1.00 0.00 H new ATOM 666 N GLN A 44 80.027 -7.161 38.448 1.00 0.00 N ATOM 667 CA GLN A 44 80.450 -8.514 38.921 1.00 0.00 C ATOM 668 C GLN A 44 79.541 -8.999 40.061 1.00 0.00 C ATOM 669 O GLN A 44 78.655 -9.808 39.869 1.00 0.00 O ATOM 670 CB GLN A 44 81.892 -8.431 39.421 1.00 0.00 C ATOM 671 CG GLN A 44 82.392 -9.833 39.732 1.00 0.00 C ATOM 672 CD GLN A 44 83.851 -9.768 40.186 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.561 -8.696 39.938 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.354 -10.705 40.772 1.00 0.00 N ATOM 0 H GLN A 44 80.624 -6.390 38.746 1.00 0.00 H new ATOM 0 HA GLN A 44 80.374 -9.221 38.095 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.525 -7.965 38.666 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.946 -7.806 40.313 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.778 -10.285 40.511 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.303 -10.466 38.849 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.802 -11.541 40.966 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.328 -10.656 41.070 1.00 0.00 H new ATOM 844 N PHE B 1 94.091 -14.088 21.872 1.00 0.00 N ATOM 845 CA PHE B 1 92.887 -13.824 22.712 1.00 0.00 C ATOM 846 C PHE B 1 92.291 -15.154 23.197 1.00 0.00 C ATOM 847 O PHE B 1 92.687 -15.688 24.210 1.00 0.00 O ATOM 848 CB PHE B 1 91.837 -13.066 21.887 1.00 0.00 C ATOM 849 CG PHE B 1 92.215 -11.609 21.800 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.022 -11.169 20.748 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.755 -10.697 22.762 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.370 -9.816 20.648 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.104 -9.344 22.665 1.00 0.00 C ATOM 854 CZ PHE B 1 92.912 -8.902 21.609 1.00 0.00 C ATOM 0 H1 PHE B 1 94.231 -13.299 21.209 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.928 -14.179 22.483 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.955 -14.970 21.338 1.00 0.00 H new ATOM 0 HA PHE B 1 93.177 -13.222 23.573 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.768 -13.494 20.887 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.854 -13.170 22.347 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.378 -11.873 20.011 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.133 -11.038 23.576 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.990 -9.476 19.832 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.750 -8.641 23.405 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.182 -7.859 21.535 1.00 0.00 H new ATOM 866 N LEU B 2 91.334 -15.680 22.474 1.00 0.00 N ATOM 867 CA LEU B 2 90.687 -16.970 22.877 1.00 0.00 C ATOM 868 C LEU B 2 91.718 -18.088 22.904 1.00 0.00 C ATOM 869 O LEU B 2 91.698 -18.945 23.766 1.00 0.00 O ATOM 870 CB LEU B 2 89.602 -17.317 21.856 1.00 0.00 C ATOM 871 CG LEU B 2 88.529 -16.224 21.876 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.603 -16.394 20.670 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.710 -16.316 23.175 1.00 0.00 C ATOM 0 H LEU B 2 90.969 -15.269 21.615 1.00 0.00 H new ATOM 0 HA LEU B 2 90.254 -16.861 23.871 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.036 -17.400 20.860 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.158 -18.284 22.092 1.00 0.00 H new ATOM 0 HG LEU B 2 89.011 -15.248 21.828 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.840 -15.616 20.685 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.184 -16.315 19.751 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.125 -17.372 20.714 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.949 -15.535 23.182 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.229 -17.292 23.233 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.371 -16.186 24.032 1.00 0.00 H new ATOM 885 N ASP B 3 92.605 -18.100 21.953 1.00 0.00 N ATOM 886 CA ASP B 3 93.628 -19.181 21.902 1.00 0.00 C ATOM 887 C ASP B 3 94.510 -19.126 23.142 1.00 0.00 C ATOM 888 O ASP B 3 94.806 -20.134 23.748 1.00 0.00 O ATOM 889 CB ASP B 3 94.513 -19.001 20.666 1.00 0.00 C ATOM 890 CG ASP B 3 93.696 -19.279 19.405 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.668 -19.924 19.525 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.112 -18.844 18.345 1.00 0.00 O ATOM 0 H ASP B 3 92.667 -17.408 21.207 1.00 0.00 H new ATOM 0 HA ASP B 3 93.114 -20.141 21.857 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.912 -17.987 20.637 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.366 -19.678 20.715 1.00 0.00 H new ATOM 897 N GLY B 4 94.936 -17.957 23.528 1.00 0.00 N ATOM 898 CA GLY B 4 95.804 -17.838 24.730 1.00 0.00 C ATOM 899 C GLY B 4 95.061 -18.352 25.953 1.00 0.00 C ATOM 900 O GLY B 4 95.626 -18.998 26.813 1.00 0.00 O ATOM 0 H GLY B 4 94.720 -17.076 23.061 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.722 -18.407 24.585 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.094 -16.798 24.879 1.00 0.00 H new ATOM 904 N ILE B 5 93.798 -18.056 26.047 1.00 0.00 N ATOM 905 CA ILE B 5 92.999 -18.503 27.220 1.00 0.00 C ATOM 906 C ILE B 5 92.922 -20.031 27.266 1.00 0.00 C ATOM 907 O ILE B 5 92.975 -20.623 28.322 1.00 0.00 O ATOM 908 CB ILE B 5 91.592 -17.914 27.124 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.676 -16.407 27.360 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.673 -18.566 28.165 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.336 -15.766 27.024 1.00 0.00 C ATOM 0 H ILE B 5 93.278 -17.517 25.354 1.00 0.00 H new ATOM 0 HA ILE B 5 93.482 -18.155 28.133 1.00 0.00 H new ATOM 0 HB ILE B 5 91.176 -18.108 26.135 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.938 -16.205 28.399 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.463 -15.975 26.743 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.674 -18.138 28.087 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.623 -19.640 27.985 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.068 -18.384 29.164 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.395 -14.691 27.192 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.093 -15.957 25.979 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.560 -16.191 27.660 1.00 0.00 H new ATOM 923 N ASP B 6 92.774 -20.665 26.136 1.00 0.00 N ATOM 924 CA ASP B 6 92.662 -22.155 26.136 1.00 0.00 C ATOM 925 C ASP B 6 93.914 -22.779 26.746 1.00 0.00 C ATOM 926 O ASP B 6 93.829 -23.618 27.622 1.00 0.00 O ATOM 927 CB ASP B 6 92.526 -22.652 24.693 1.00 0.00 C ATOM 928 CG ASP B 6 92.448 -24.175 24.700 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.349 -24.685 24.823 1.00 0.00 O ATOM 930 OD2 ASP B 6 93.488 -24.803 24.596 1.00 0.00 O ATOM 0 H ASP B 6 92.726 -20.222 25.218 1.00 0.00 H new ATOM 0 HA ASP B 6 91.789 -22.441 26.723 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.632 -22.231 24.232 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.378 -22.321 24.099 1.00 0.00 H new ATOM 935 N LYS B 7 95.070 -22.384 26.306 1.00 0.00 N ATOM 936 CA LYS B 7 96.309 -22.976 26.877 1.00 0.00 C ATOM 937 C LYS B 7 96.445 -22.542 28.340 1.00 0.00 C ATOM 938 O LYS B 7 96.830 -23.310 29.196 1.00 0.00 O ATOM 939 CB LYS B 7 97.510 -22.487 26.069 1.00 0.00 C ATOM 940 CG LYS B 7 97.421 -23.060 24.655 1.00 0.00 C ATOM 941 CD LYS B 7 98.613 -22.575 23.830 1.00 0.00 C ATOM 942 CE LYS B 7 98.507 -23.155 22.416 1.00 0.00 C ATOM 943 NZ LYS B 7 97.256 -22.650 21.790 1.00 0.00 N ATOM 0 H LYS B 7 95.213 -21.682 25.580 1.00 0.00 H new ATOM 0 HA LYS B 7 96.264 -24.064 26.831 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.523 -21.398 26.034 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.438 -22.802 26.546 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.411 -24.149 24.693 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.489 -22.749 24.184 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.626 -21.486 23.791 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.547 -22.888 24.297 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.373 -22.863 21.821 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.499 -24.244 22.453 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.444 -22.389 20.801 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.528 -23.393 21.820 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 96.920 -21.815 22.311 1.00 0.00 H new ATOM 957 N ALA B 8 96.125 -21.311 28.622 1.00 0.00 N ATOM 958 CA ALA B 8 96.228 -20.802 30.019 1.00 0.00 C ATOM 959 C ALA B 8 95.195 -21.487 30.919 1.00 0.00 C ATOM 960 O ALA B 8 95.442 -21.747 32.085 1.00 0.00 O ATOM 961 CB ALA B 8 95.970 -19.303 30.010 1.00 0.00 C ATOM 0 H ALA B 8 95.794 -20.629 27.939 1.00 0.00 H new ATOM 0 HA ALA B 8 97.224 -21.017 30.407 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.042 -18.915 31.026 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.711 -18.810 29.380 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.972 -19.108 29.617 1.00 0.00 H new ATOM 967 N GLN B 9 94.027 -21.766 30.408 1.00 0.00 N ATOM 968 CA GLN B 9 92.989 -22.411 31.256 1.00 0.00 C ATOM 969 C GLN B 9 93.460 -23.813 31.662 1.00 0.00 C ATOM 970 O GLN B 9 93.985 -24.557 30.859 1.00 0.00 O ATOM 971 CB GLN B 9 91.685 -22.520 30.467 1.00 0.00 C ATOM 972 CG GLN B 9 90.569 -23.012 31.394 1.00 0.00 C ATOM 973 CD GLN B 9 89.277 -23.212 30.601 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.173 -22.722 29.396 1.00 0.00 O flip ATOM 975 NE2 GLN B 9 88.348 -23.830 31.085 1.00 0.00 N flip ATOM 0 H GLN B 9 93.749 -21.576 29.445 1.00 0.00 H new ATOM 0 HA GLN B 9 92.824 -21.810 32.150 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.421 -21.551 30.044 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.809 -23.209 29.632 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.864 -23.949 31.866 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.406 -22.290 32.194 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.426 -24.214 32.027 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.490 -23.964 30.549 1.00 0.00 H new ATOM 984 N GLU B 10 93.272 -24.172 32.904 1.00 0.00 N ATOM 985 CA GLU B 10 93.700 -25.519 33.384 1.00 0.00 C ATOM 986 C GLU B 10 92.962 -25.811 34.696 1.00 0.00 C ATOM 987 O GLU B 10 92.098 -25.068 35.107 1.00 0.00 O ATOM 988 CB GLU B 10 95.233 -25.518 33.638 1.00 0.00 C ATOM 989 CG GLU B 10 95.966 -26.342 32.578 1.00 0.00 C ATOM 990 CD GLU B 10 95.682 -27.827 32.803 1.00 0.00 C ATOM 991 OE1 GLU B 10 95.868 -28.279 33.920 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.280 -28.488 31.861 1.00 0.00 O ATOM 0 H GLU B 10 92.836 -23.584 33.614 1.00 0.00 H new ATOM 0 HA GLU B 10 93.467 -26.280 32.639 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.606 -24.494 33.629 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.441 -25.925 34.628 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.640 -26.045 31.581 1.00 0.00 H new ATOM 0 HG3 GLU B 10 97.038 -26.153 32.632 1.00 0.00 H new ATOM 999 N GLU B 11 93.302 -26.884 35.355 1.00 0.00 N ATOM 1000 CA GLU B 11 92.620 -27.223 36.642 1.00 0.00 C ATOM 1001 C GLU B 11 92.913 -26.123 37.674 1.00 0.00 C ATOM 1002 O GLU B 11 93.964 -25.520 37.669 1.00 0.00 O ATOM 1003 CB GLU B 11 93.140 -28.567 37.177 1.00 0.00 C ATOM 1004 CG GLU B 11 92.438 -28.924 38.500 1.00 0.00 C ATOM 1005 CD GLU B 11 92.988 -30.246 39.042 1.00 0.00 C ATOM 1006 OE1 GLU B 11 92.680 -31.279 38.466 1.00 0.00 O ATOM 1007 OE2 GLU B 11 93.707 -30.208 40.027 1.00 0.00 O ATOM 0 H GLU B 11 94.023 -27.543 35.060 1.00 0.00 H new ATOM 0 HA GLU B 11 91.546 -27.297 36.469 1.00 0.00 H new ATOM 0 HB2 GLU B 11 92.964 -29.352 36.441 1.00 0.00 H new ATOM 0 HB3 GLU B 11 94.217 -28.512 37.333 1.00 0.00 H new ATOM 0 HG2 GLU B 11 92.593 -28.129 39.230 1.00 0.00 H new ATOM 0 HG3 GLU B 11 91.363 -29.006 38.341 1.00 0.00 H new ATOM 1014 N HIS B 12 91.986 -25.869 38.562 1.00 0.00 N ATOM 1015 CA HIS B 12 92.206 -24.815 39.594 1.00 0.00 C ATOM 1016 C HIS B 12 93.349 -25.242 40.517 1.00 0.00 C ATOM 1017 O HIS B 12 93.137 -25.715 41.611 1.00 0.00 O ATOM 1018 CB HIS B 12 90.929 -24.629 40.424 1.00 0.00 C ATOM 1019 CG HIS B 12 91.138 -23.562 41.471 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.929 -22.211 41.216 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.508 -23.636 42.799 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.169 -21.537 42.362 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.525 -22.362 43.349 1.00 0.00 N ATOM 0 H HIS B 12 91.086 -26.347 38.616 1.00 0.00 H new ATOM 0 HA HIS B 12 92.459 -23.876 39.103 1.00 0.00 H new ATOM 0 HB2 HIS B 12 90.100 -24.352 39.772 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.657 -25.570 40.902 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.646 -21.803 40.325 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.748 -24.546 43.329 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.084 -20.465 42.466 1.00 0.00 H new ATOM 1031 N GLU B 13 94.563 -25.069 40.071 1.00 0.00 N ATOM 1032 CA GLU B 13 95.745 -25.449 40.904 1.00 0.00 C ATOM 1033 C GLU B 13 96.232 -24.217 41.677 1.00 0.00 C ATOM 1034 O GLU B 13 95.519 -23.248 41.825 1.00 0.00 O ATOM 1035 CB GLU B 13 96.858 -25.957 39.980 1.00 0.00 C ATOM 1036 CG GLU B 13 96.382 -27.240 39.298 1.00 0.00 C ATOM 1037 CD GLU B 13 97.423 -27.718 38.283 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.913 -26.889 37.531 1.00 0.00 O ATOM 1039 OE2 GLU B 13 97.707 -28.902 38.274 1.00 0.00 O ATOM 0 H GLU B 13 94.791 -24.677 39.157 1.00 0.00 H new ATOM 0 HA GLU B 13 95.472 -26.232 41.611 1.00 0.00 H new ATOM 0 HB2 GLU B 13 97.104 -25.201 39.234 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.766 -26.148 40.552 1.00 0.00 H new ATOM 0 HG2 GLU B 13 96.210 -28.015 40.045 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.430 -27.062 38.797 1.00 0.00 H new ATOM 1046 N LYS B 14 97.443 -24.252 42.159 1.00 0.00 N ATOM 1047 CA LYS B 14 97.989 -23.088 42.915 1.00 0.00 C ATOM 1048 C LYS B 14 98.198 -21.909 41.956 1.00 0.00 C ATOM 1049 O LYS B 14 98.108 -20.757 42.342 1.00 0.00 O ATOM 1050 CB LYS B 14 99.326 -23.478 43.562 1.00 0.00 C ATOM 1051 CG LYS B 14 99.068 -24.461 44.718 1.00 0.00 C ATOM 1052 CD LYS B 14 100.381 -25.118 45.168 1.00 0.00 C ATOM 1053 CE LYS B 14 101.223 -24.125 45.973 1.00 0.00 C ATOM 1054 NZ LYS B 14 100.411 -23.571 47.095 1.00 0.00 N ATOM 0 H LYS B 14 98.082 -25.041 42.062 1.00 0.00 H new ATOM 0 HA LYS B 14 97.286 -22.796 43.695 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.981 -23.935 42.821 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.836 -22.589 43.933 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.612 -23.934 45.556 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.361 -25.227 44.401 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.166 -25.998 45.774 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.942 -25.459 44.298 1.00 0.00 H new ATOM 0 HE2 LYS B 14 102.112 -24.620 46.364 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.567 -23.317 45.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 101.019 -23.429 47.927 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.999 -22.660 46.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 99.648 -24.237 47.333 1.00 0.00 H new ATOM 1068 N TYR B 15 98.479 -22.191 40.709 1.00 0.00 N ATOM 1069 CA TYR B 15 98.709 -21.097 39.707 1.00 0.00 C ATOM 1070 C TYR B 15 97.459 -20.219 39.603 1.00 0.00 C ATOM 1071 O TYR B 15 97.547 -19.023 39.415 1.00 0.00 O ATOM 1072 CB TYR B 15 99.038 -21.707 38.336 1.00 0.00 C ATOM 1073 CG TYR B 15 100.475 -22.183 38.349 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.788 -23.409 38.941 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.498 -21.394 37.795 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.116 -23.848 38.982 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.831 -21.836 37.833 1.00 0.00 C ATOM 1078 CZ TYR B 15 103.141 -23.067 38.431 1.00 0.00 C ATOM 1079 OH TYR B 15 104.449 -23.508 38.480 1.00 0.00 O ATOM 0 H TYR B 15 98.560 -23.137 40.336 1.00 0.00 H new ATOM 0 HA TYR B 15 99.549 -20.483 40.033 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.366 -22.538 38.121 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.892 -20.968 37.549 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.005 -24.018 39.367 1.00 0.00 H new ATOM 0 HD2 TYR B 15 101.258 -20.445 37.339 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.353 -24.796 39.442 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.615 -21.230 37.403 1.00 0.00 H new ATOM 0 HH TYR B 15 105.033 -22.848 38.052 1.00 0.00 H new ATOM 1089 N HIS B 16 96.298 -20.797 39.725 1.00 0.00 N ATOM 1090 CA HIS B 16 95.060 -19.976 39.641 1.00 0.00 C ATOM 1091 C HIS B 16 95.082 -18.925 40.753 1.00 0.00 C ATOM 1092 O HIS B 16 94.702 -17.791 40.555 1.00 0.00 O ATOM 1093 CB HIS B 16 93.828 -20.878 39.831 1.00 0.00 C ATOM 1094 CG HIS B 16 93.429 -21.500 38.517 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.101 -21.743 38.179 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.172 -21.925 37.448 1.00 0.00 C ATOM 1097 CE1 HIS B 16 92.088 -22.292 36.949 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.325 -22.416 36.461 1.00 0.00 N ATOM 0 H HIS B 16 96.153 -21.795 39.878 1.00 0.00 H new ATOM 0 HA HIS B 16 95.011 -19.491 38.666 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.049 -21.659 40.559 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.999 -20.294 40.232 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.249 -21.885 37.382 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.193 -22.593 36.425 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.593 -22.793 35.552 1.00 0.00 H new ATOM 1106 N SER B 17 95.519 -19.290 41.924 1.00 0.00 N ATOM 1107 CA SER B 17 95.545 -18.289 43.023 1.00 0.00 C ATOM 1108 C SER B 17 96.467 -17.148 42.614 1.00 0.00 C ATOM 1109 O SER B 17 96.185 -15.988 42.837 1.00 0.00 O ATOM 1110 CB SER B 17 96.056 -18.933 44.309 1.00 0.00 C ATOM 1111 OG SER B 17 97.443 -19.225 44.178 1.00 0.00 O ATOM 0 H SER B 17 95.854 -20.223 42.166 1.00 0.00 H new ATOM 0 HA SER B 17 94.538 -17.912 43.203 1.00 0.00 H new ATOM 0 HB2 SER B 17 95.893 -18.263 45.153 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.500 -19.847 44.516 1.00 0.00 H new ATOM 0 HG SER B 17 97.555 -20.083 43.718 1.00 0.00 H new ATOM 1117 N ASN B 18 97.574 -17.484 42.008 1.00 0.00 N ATOM 1118 CA ASN B 18 98.535 -16.449 41.548 1.00 0.00 C ATOM 1119 C ASN B 18 98.308 -16.173 40.062 1.00 0.00 C ATOM 1120 O ASN B 18 98.918 -16.791 39.214 1.00 0.00 O ATOM 1121 CB ASN B 18 99.955 -16.977 41.743 1.00 0.00 C ATOM 1122 CG ASN B 18 100.220 -17.144 43.238 1.00 0.00 C ATOM 1123 OD1 ASN B 18 99.745 -16.369 44.041 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.949 -18.146 43.648 1.00 0.00 N ATOM 0 H ASN B 18 97.854 -18.445 41.811 1.00 0.00 H new ATOM 0 HA ASN B 18 98.392 -15.531 42.118 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.076 -17.931 41.230 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.677 -16.287 41.307 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.120 -18.278 44.645 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.348 -18.797 42.972 1.00 0.00 H new ATOM 1131 N TRP B 19 97.441 -15.254 39.735 1.00 0.00 N ATOM 1132 CA TRP B 19 97.193 -14.950 38.294 1.00 0.00 C ATOM 1133 C TRP B 19 98.429 -14.265 37.707 1.00 0.00 C ATOM 1134 O TRP B 19 98.709 -14.364 36.527 1.00 0.00 O ATOM 1135 CB TRP B 19 95.980 -14.026 38.136 1.00 0.00 C ATOM 1136 CG TRP B 19 96.255 -12.697 38.763 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.900 -12.345 40.020 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.937 -11.539 38.193 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.299 -11.042 40.251 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.944 -10.505 39.158 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.535 -11.286 36.950 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.524 -9.266 38.897 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.121 -10.044 36.682 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.115 -9.031 37.654 1.00 0.00 C ATOM 0 H TRP B 19 96.896 -14.703 40.398 1.00 0.00 H new ATOM 0 HA TRP B 19 96.992 -15.883 37.767 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.749 -13.896 37.079 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.105 -14.481 38.600 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.388 -12.979 40.728 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.136 -10.539 41.124 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.543 -12.056 36.193 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.517 -8.492 39.651 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.581 -9.864 35.722 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.566 -8.073 37.441 1.00 0.00 H new ATOM 1155 N ARG B 20 99.169 -13.566 38.519 1.00 0.00 N ATOM 1156 CA ARG B 20 100.378 -12.857 38.012 1.00 0.00 C ATOM 1157 C ARG B 20 101.362 -13.869 37.429 1.00 0.00 C ATOM 1158 O ARG B 20 101.986 -13.630 36.412 1.00 0.00 O ATOM 1159 CB ARG B 20 101.065 -12.134 39.181 1.00 0.00 C ATOM 1160 CG ARG B 20 100.164 -11.009 39.670 1.00 0.00 C ATOM 1161 CD ARG B 20 100.829 -10.272 40.836 1.00 0.00 C ATOM 1162 NE ARG B 20 99.911 -9.203 41.332 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.121 -8.669 42.505 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.116 -9.085 43.237 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.340 -7.718 42.947 1.00 0.00 N ATOM 0 H ARG B 20 98.989 -13.454 39.517 1.00 0.00 H new ATOM 0 HA ARG B 20 100.079 -12.144 37.244 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.265 -12.835 39.991 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.027 -11.733 38.862 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.964 -10.312 38.856 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.203 -11.414 39.986 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.059 -10.972 41.640 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.774 -9.835 40.514 1.00 0.00 H new ATOM 0 HE ARG B 20 99.126 -8.893 40.759 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.728 -9.825 42.893 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.283 -8.670 44.154 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.562 -7.390 42.375 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.509 -7.304 43.864 1.00 0.00 H new ATOM 1179 N ALA B 21 101.514 -15.001 38.056 1.00 0.00 N ATOM 1180 CA ALA B 21 102.469 -16.026 37.536 1.00 0.00 C ATOM 1181 C ALA B 21 102.022 -16.490 36.152 1.00 0.00 C ATOM 1182 O ALA B 21 102.826 -16.669 35.259 1.00 0.00 O ATOM 1183 CB ALA B 21 102.488 -17.229 38.484 1.00 0.00 C ATOM 0 H ALA B 21 101.019 -15.264 38.908 1.00 0.00 H new ATOM 0 HA ALA B 21 103.465 -15.589 37.471 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.184 -17.978 38.107 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.805 -16.906 39.476 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.489 -17.660 38.545 1.00 0.00 H new ATOM 1189 N MET B 22 100.744 -16.685 35.973 1.00 0.00 N ATOM 1190 CA MET B 22 100.230 -17.134 34.655 1.00 0.00 C ATOM 1191 C MET B 22 100.499 -16.054 33.613 1.00 0.00 C ATOM 1192 O MET B 22 100.882 -16.332 32.490 1.00 0.00 O ATOM 1193 CB MET B 22 98.726 -17.374 34.776 1.00 0.00 C ATOM 1194 CG MET B 22 98.166 -17.828 33.426 1.00 0.00 C ATOM 1195 SD MET B 22 96.480 -18.458 33.651 1.00 0.00 S ATOM 1196 CE MET B 22 95.728 -16.963 34.342 1.00 0.00 C ATOM 0 H MET B 22 100.032 -16.551 36.691 1.00 0.00 H new ATOM 0 HA MET B 22 100.728 -18.054 34.349 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.529 -18.131 35.535 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.227 -16.460 35.099 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.164 -16.995 32.723 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.802 -18.604 32.999 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.642 -17.058 34.320 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.060 -16.831 35.372 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.028 -16.098 33.750 1.00 0.00 H new ATOM 1206 N ALA B 23 100.310 -14.822 33.970 1.00 0.00 N ATOM 1207 CA ALA B 23 100.558 -13.733 32.994 1.00 0.00 C ATOM 1208 C ALA B 23 102.040 -13.745 32.580 1.00 0.00 C ATOM 1209 O ALA B 23 102.371 -13.569 31.423 1.00 0.00 O ATOM 1210 CB ALA B 23 100.222 -12.380 33.630 1.00 0.00 C ATOM 0 H ALA B 23 99.995 -14.521 34.892 1.00 0.00 H new ATOM 0 HA ALA B 23 99.929 -13.887 32.117 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.406 -11.583 32.909 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.173 -12.367 33.925 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.848 -12.226 34.509 1.00 0.00 H new ATOM 1216 N SER B 24 102.925 -13.954 33.516 1.00 0.00 N ATOM 1217 CA SER B 24 104.387 -13.979 33.190 1.00 0.00 C ATOM 1218 C SER B 24 104.709 -15.216 32.344 1.00 0.00 C ATOM 1219 O SER B 24 105.499 -15.157 31.422 1.00 0.00 O ATOM 1220 CB SER B 24 105.195 -14.016 34.486 1.00 0.00 C ATOM 1221 OG SER B 24 106.583 -13.887 34.187 1.00 0.00 O ATOM 0 H SER B 24 102.701 -14.110 34.499 1.00 0.00 H new ATOM 0 HA SER B 24 104.647 -13.084 32.625 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.878 -13.209 35.147 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.012 -14.952 35.014 1.00 0.00 H new ATOM 0 HG SER B 24 107.100 -13.909 35.019 1.00 0.00 H new ATOM 1227 N ASP B 25 104.112 -16.330 32.660 1.00 0.00 N ATOM 1228 CA ASP B 25 104.378 -17.575 31.886 1.00 0.00 C ATOM 1229 C ASP B 25 103.949 -17.379 30.432 1.00 0.00 C ATOM 1230 O ASP B 25 104.610 -17.828 29.519 1.00 0.00 O ATOM 1231 CB ASP B 25 103.606 -18.740 32.503 1.00 0.00 C ATOM 1232 CG ASP B 25 104.222 -19.104 33.858 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.408 -19.407 33.887 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.506 -19.063 34.842 1.00 0.00 O ATOM 0 H ASP B 25 103.447 -16.433 33.426 1.00 0.00 H new ATOM 0 HA ASP B 25 105.445 -17.798 31.917 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.558 -18.469 32.630 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.634 -19.602 31.836 1.00 0.00 H new ATOM 1239 N PHE B 26 102.840 -16.723 30.213 1.00 0.00 N ATOM 1240 CA PHE B 26 102.361 -16.499 28.817 1.00 0.00 C ATOM 1241 C PHE B 26 102.734 -15.090 28.371 1.00 0.00 C ATOM 1242 O PHE B 26 102.447 -14.687 27.264 1.00 0.00 O ATOM 1243 CB PHE B 26 100.845 -16.697 28.758 1.00 0.00 C ATOM 1244 CG PHE B 26 100.530 -18.172 28.904 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.576 -18.776 30.163 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.191 -18.935 27.775 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.284 -20.141 30.299 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.901 -20.299 27.911 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.949 -20.901 29.173 1.00 0.00 C ATOM 0 H PHE B 26 102.244 -16.332 30.942 1.00 0.00 H new ATOM 0 HA PHE B 26 102.834 -17.216 28.146 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.361 -16.129 29.552 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.453 -16.321 27.813 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.837 -18.191 31.033 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.154 -18.470 26.801 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.318 -20.606 31.273 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.641 -20.885 27.042 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.727 -21.953 29.278 1.00 0.00 H new ATOM 1259 N ASN B 27 103.389 -14.329 29.217 1.00 0.00 N ATOM 1260 CA ASN B 27 103.783 -12.950 28.815 1.00 0.00 C ATOM 1261 C ASN B 27 102.554 -12.190 28.319 1.00 0.00 C ATOM 1262 O ASN B 27 102.593 -11.547 27.290 1.00 0.00 O ATOM 1263 CB ASN B 27 104.839 -13.012 27.705 1.00 0.00 C ATOM 1264 CG ASN B 27 106.163 -13.496 28.295 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.386 -13.393 29.483 1.00 0.00 O ATOM 1266 ND2 ASN B 27 107.051 -14.025 27.507 1.00 0.00 N ATOM 0 H ASN B 27 103.664 -14.605 30.160 1.00 0.00 H new ATOM 0 HA ASN B 27 104.204 -12.431 29.676 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.512 -13.686 26.913 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.967 -12.028 27.253 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.938 -14.355 27.887 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.861 -14.110 26.509 1.00 0.00 H new ATOM 1273 N LEU B 28 101.459 -12.256 29.046 1.00 0.00 N ATOM 1274 CA LEU B 28 100.217 -11.538 28.626 1.00 0.00 C ATOM 1275 C LEU B 28 99.896 -10.485 29.689 1.00 0.00 C ATOM 1276 O LEU B 28 100.232 -10.657 30.846 1.00 0.00 O ATOM 1277 CB LEU B 28 99.060 -12.537 28.555 1.00 0.00 C ATOM 1278 CG LEU B 28 99.259 -13.504 27.379 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.311 -14.703 27.545 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.961 -12.789 26.042 1.00 0.00 C ATOM 0 H LEU B 28 101.376 -12.781 29.917 1.00 0.00 H new ATOM 0 HA LEU B 28 100.359 -11.071 27.651 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.997 -13.097 29.488 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.117 -12.003 28.439 1.00 0.00 H new ATOM 0 HG LEU B 28 100.293 -13.848 27.370 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.448 -15.393 26.713 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.533 -15.215 28.481 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.279 -14.352 27.559 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.106 -13.486 25.217 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.930 -12.434 26.041 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.636 -11.942 25.924 1.00 0.00 H new ATOM 1292 N PRO B 29 99.255 -9.408 29.325 1.00 0.00 N ATOM 1293 CA PRO B 29 98.912 -8.351 30.306 1.00 0.00 C ATOM 1294 C PRO B 29 97.800 -8.822 31.261 1.00 0.00 C ATOM 1295 O PRO B 29 96.958 -9.617 30.879 1.00 0.00 O ATOM 1296 CB PRO B 29 98.445 -7.179 29.439 1.00 0.00 C ATOM 1297 CG PRO B 29 97.962 -7.800 28.163 1.00 0.00 C ATOM 1298 CD PRO B 29 98.792 -9.072 27.967 1.00 0.00 C ATOM 0 HA PRO B 29 99.752 -8.084 30.947 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.649 -6.619 29.930 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.259 -6.479 29.252 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.899 -8.034 28.222 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.092 -7.117 27.324 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.194 -9.877 27.539 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.629 -8.902 27.290 1.00 0.00 H new ATOM 1306 N PRO B 30 97.788 -8.347 32.481 1.00 0.00 N ATOM 1307 CA PRO B 30 96.750 -8.748 33.472 1.00 0.00 C ATOM 1308 C PRO B 30 95.344 -8.816 32.854 1.00 0.00 C ATOM 1309 O PRO B 30 94.447 -9.432 33.398 1.00 0.00 O ATOM 1310 CB PRO B 30 96.817 -7.637 34.527 1.00 0.00 C ATOM 1311 CG PRO B 30 98.225 -7.127 34.478 1.00 0.00 C ATOM 1312 CD PRO B 30 98.745 -7.380 33.057 1.00 0.00 C ATOM 0 HA PRO B 30 96.933 -9.746 33.871 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.104 -6.843 34.307 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.572 -8.020 35.518 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.259 -6.064 34.717 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.846 -7.639 35.213 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.777 -6.458 32.476 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.758 -7.783 33.071 1.00 0.00 H new ATOM 1320 N VAL B 31 95.127 -8.172 31.741 1.00 0.00 N ATOM 1321 CA VAL B 31 93.760 -8.188 31.144 1.00 0.00 C ATOM 1322 C VAL B 31 93.326 -9.619 30.825 1.00 0.00 C ATOM 1323 O VAL B 31 92.245 -10.038 31.203 1.00 0.00 O ATOM 1324 CB VAL B 31 93.772 -7.367 29.851 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.462 -7.568 29.078 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.939 -5.882 30.191 1.00 0.00 C ATOM 0 H VAL B 31 95.827 -7.641 31.223 1.00 0.00 H new ATOM 0 HA VAL B 31 93.058 -7.761 31.860 1.00 0.00 H new ATOM 0 HB VAL B 31 94.603 -7.701 29.230 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.486 -6.978 28.162 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.345 -8.622 28.828 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.623 -7.246 29.695 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.948 -5.297 29.271 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.110 -5.557 30.820 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.878 -5.734 30.724 1.00 0.00 H new ATOM 1336 N VAL B 32 94.140 -10.369 30.141 1.00 0.00 N ATOM 1337 CA VAL B 32 93.741 -11.768 29.810 1.00 0.00 C ATOM 1338 C VAL B 32 93.735 -12.596 31.091 1.00 0.00 C ATOM 1339 O VAL B 32 92.858 -13.408 31.316 1.00 0.00 O ATOM 1340 CB VAL B 32 94.737 -12.366 28.807 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.463 -13.867 28.636 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.601 -11.644 27.459 1.00 0.00 C ATOM 0 H VAL B 32 95.056 -10.081 29.798 1.00 0.00 H new ATOM 0 HA VAL B 32 92.746 -11.774 29.365 1.00 0.00 H new ATOM 0 HB VAL B 32 95.753 -12.235 29.180 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.172 -14.287 27.923 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.574 -14.369 29.597 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.448 -14.012 28.266 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.308 -12.068 26.746 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.586 -11.768 27.081 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.812 -10.583 27.592 1.00 0.00 H new ATOM 1352 N ALA B 33 94.710 -12.397 31.931 1.00 0.00 N ATOM 1353 CA ALA B 33 94.776 -13.170 33.201 1.00 0.00 C ATOM 1354 C ALA B 33 93.564 -12.853 34.073 1.00 0.00 C ATOM 1355 O ALA B 33 92.964 -13.738 34.654 1.00 0.00 O ATOM 1356 CB ALA B 33 96.048 -12.801 33.961 1.00 0.00 C ATOM 0 H ALA B 33 95.468 -11.729 31.792 1.00 0.00 H new ATOM 0 HA ALA B 33 94.782 -14.234 32.964 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.094 -13.368 34.891 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.919 -13.036 33.349 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.041 -11.735 34.187 1.00 0.00 H new ATOM 1362 N LYS B 34 93.195 -11.609 34.184 1.00 0.00 N ATOM 1363 CA LYS B 34 92.028 -11.265 35.028 1.00 0.00 C ATOM 1364 C LYS B 34 90.778 -11.948 34.480 1.00 0.00 C ATOM 1365 O LYS B 34 89.946 -12.418 35.229 1.00 0.00 O ATOM 1366 CB LYS B 34 91.840 -9.745 35.065 1.00 0.00 C ATOM 1367 CG LYS B 34 92.976 -9.091 35.868 1.00 0.00 C ATOM 1368 CD LYS B 34 92.693 -9.193 37.376 1.00 0.00 C ATOM 1369 CE LYS B 34 93.757 -8.420 38.154 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.359 -8.346 39.588 1.00 0.00 N ATOM 0 H LYS B 34 93.652 -10.820 33.727 1.00 0.00 H new ATOM 0 HA LYS B 34 92.201 -11.616 36.045 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.826 -9.348 34.050 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.878 -9.501 35.516 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.922 -9.579 35.635 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.078 -8.045 35.580 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.704 -8.792 37.598 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.690 -10.238 37.685 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.725 -8.913 38.058 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.868 -7.417 37.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.080 -7.821 40.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.444 -7.858 39.670 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.274 -9.308 39.975 1.00 0.00 H new ATOM 1384 N GLU B 35 90.625 -11.984 33.186 1.00 0.00 N ATOM 1385 CA GLU B 35 89.417 -12.629 32.601 1.00 0.00 C ATOM 1386 C GLU B 35 89.365 -14.107 33.016 1.00 0.00 C ATOM 1387 O GLU B 35 88.319 -14.626 33.355 1.00 0.00 O ATOM 1388 CB GLU B 35 89.473 -12.521 31.074 1.00 0.00 C ATOM 1389 CG GLU B 35 88.179 -13.081 30.463 1.00 0.00 C ATOM 1390 CD GLU B 35 88.247 -14.612 30.405 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.342 -15.138 30.275 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.203 -15.232 30.493 1.00 0.00 O ATOM 0 H GLU B 35 91.282 -11.596 32.510 1.00 0.00 H new ATOM 0 HA GLU B 35 88.523 -12.125 32.968 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.604 -11.480 30.779 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.333 -13.071 30.693 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.321 -12.769 31.059 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.035 -12.677 29.461 1.00 0.00 H new ATOM 1399 N ILE B 36 90.479 -14.793 33.016 1.00 0.00 N ATOM 1400 CA ILE B 36 90.457 -16.223 33.431 1.00 0.00 C ATOM 1401 C ILE B 36 89.985 -16.286 34.878 1.00 0.00 C ATOM 1402 O ILE B 36 89.205 -17.132 35.253 1.00 0.00 O ATOM 1403 CB ILE B 36 91.862 -16.814 33.311 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.227 -16.934 31.827 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.903 -18.203 33.958 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.727 -17.159 31.681 1.00 0.00 C ATOM 0 H ILE B 36 91.393 -14.427 32.749 1.00 0.00 H new ATOM 0 HA ILE B 36 89.785 -16.796 32.793 1.00 0.00 H new ATOM 0 HB ILE B 36 92.574 -16.164 33.820 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.680 -17.761 31.374 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.932 -16.029 31.296 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.907 -18.617 33.868 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.637 -18.121 35.012 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.194 -18.860 33.455 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.981 -17.244 30.624 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.265 -16.318 32.117 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.009 -18.077 32.197 1.00 0.00 H new ATOM 1418 N VAL B 37 90.438 -15.369 35.688 1.00 0.00 N ATOM 1419 CA VAL B 37 90.000 -15.347 37.108 1.00 0.00 C ATOM 1420 C VAL B 37 88.489 -15.080 37.154 1.00 0.00 C ATOM 1421 O VAL B 37 87.764 -15.655 37.945 1.00 0.00 O ATOM 1422 CB VAL B 37 90.745 -14.229 37.840 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.143 -14.024 39.234 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.229 -14.604 37.963 1.00 0.00 C ATOM 0 H VAL B 37 91.094 -14.633 35.425 1.00 0.00 H new ATOM 0 HA VAL B 37 90.217 -16.301 37.587 1.00 0.00 H new ATOM 0 HB VAL B 37 90.650 -13.301 37.276 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.679 -13.226 39.748 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.092 -13.752 39.140 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.229 -14.947 39.807 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.763 -13.809 38.484 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.324 -15.534 38.524 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.655 -14.735 36.968 1.00 0.00 H new ATOM 1434 N ALA B 38 88.013 -14.208 36.314 1.00 0.00 N ATOM 1435 CA ALA B 38 86.559 -13.900 36.306 1.00 0.00 C ATOM 1436 C ALA B 38 85.777 -15.119 35.818 1.00 0.00 C ATOM 1437 O ALA B 38 84.713 -15.431 36.320 1.00 0.00 O ATOM 1438 CB ALA B 38 86.296 -12.706 35.377 1.00 0.00 C ATOM 0 H ALA B 38 88.569 -13.694 35.631 1.00 0.00 H new ATOM 0 HA ALA B 38 86.234 -13.650 37.316 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.230 -12.479 35.370 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.850 -11.838 35.734 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.621 -12.953 34.366 1.00 0.00 H new ATOM 1444 N SER B 39 86.293 -15.819 34.842 1.00 0.00 N ATOM 1445 CA SER B 39 85.565 -17.021 34.329 1.00 0.00 C ATOM 1446 C SER B 39 85.599 -18.142 35.377 1.00 0.00 C ATOM 1447 O SER B 39 84.613 -18.818 35.593 1.00 0.00 O ATOM 1448 CB SER B 39 86.229 -17.501 33.039 1.00 0.00 C ATOM 1449 OG SER B 39 85.957 -16.567 32.008 1.00 0.00 O ATOM 0 H SER B 39 87.179 -15.614 34.380 1.00 0.00 H new ATOM 0 HA SER B 39 84.527 -16.756 34.129 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.305 -17.601 33.183 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.852 -18.486 32.765 1.00 0.00 H new ATOM 0 HG SER B 39 86.798 -16.291 31.586 1.00 0.00 H new ATOM 1455 N CYS B 40 86.706 -18.331 36.050 1.00 0.00 N ATOM 1456 CA CYS B 40 86.762 -19.400 37.092 1.00 0.00 C ATOM 1457 C CYS B 40 85.963 -18.946 38.320 1.00 0.00 C ATOM 1458 O CYS B 40 86.358 -18.043 39.030 1.00 0.00 O ATOM 1459 CB CYS B 40 88.213 -19.660 37.515 1.00 0.00 C ATOM 1460 SG CYS B 40 88.303 -21.241 38.392 1.00 0.00 S ATOM 0 H CYS B 40 87.566 -17.797 35.925 1.00 0.00 H new ATOM 0 HA CYS B 40 86.340 -20.316 36.680 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.862 -19.679 36.639 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.567 -18.854 38.157 1.00 0.00 H new ATOM 0 HG CYS B 40 89.540 -21.635 38.450 1.00 0.00 H new ATOM 1465 N ASP B 41 84.840 -19.557 38.569 1.00 0.00 N ATOM 1466 CA ASP B 41 84.022 -19.150 39.745 1.00 0.00 C ATOM 1467 C ASP B 41 84.813 -19.337 41.035 1.00 0.00 C ATOM 1468 O ASP B 41 84.739 -18.528 41.939 1.00 0.00 O ATOM 1469 CB ASP B 41 82.753 -20.000 39.815 1.00 0.00 C ATOM 1470 CG ASP B 41 81.816 -19.608 38.681 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.464 -18.445 38.613 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.463 -20.480 37.906 1.00 0.00 O ATOM 0 H ASP B 41 84.453 -20.319 38.011 1.00 0.00 H new ATOM 0 HA ASP B 41 83.759 -18.098 39.632 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.007 -21.058 39.742 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.259 -19.856 40.776 1.00 0.00 H new ATOM 1477 N LYS B 42 85.550 -20.402 41.143 1.00 0.00 N ATOM 1478 CA LYS B 42 86.324 -20.647 42.389 1.00 0.00 C ATOM 1479 C LYS B 42 87.316 -19.505 42.634 1.00 0.00 C ATOM 1480 O LYS B 42 87.538 -19.104 43.755 1.00 0.00 O ATOM 1481 CB LYS B 42 87.073 -21.972 42.274 1.00 0.00 C ATOM 1482 CG LYS B 42 86.079 -23.129 42.316 1.00 0.00 C ATOM 1483 CD LYS B 42 86.849 -24.449 42.198 1.00 0.00 C ATOM 1484 CE LYS B 42 85.878 -25.623 42.257 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.106 -25.693 40.987 1.00 0.00 N ATOM 0 H LYS B 42 85.651 -21.116 40.421 1.00 0.00 H new ATOM 0 HA LYS B 42 85.634 -20.694 43.231 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.640 -22.001 41.344 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.791 -22.067 43.088 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.512 -23.105 43.247 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.360 -23.038 41.502 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.406 -24.473 41.261 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.578 -24.528 43.004 1.00 0.00 H new ATOM 0 HE2 LYS B 42 86.424 -26.553 42.415 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.199 -25.505 43.102 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.610 -26.606 40.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.411 -24.919 40.960 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.756 -25.603 40.180 1.00 0.00 H new ATOM 1499 N CYS B 43 87.913 -18.980 41.597 1.00 0.00 N ATOM 1500 CA CYS B 43 88.875 -17.861 41.797 1.00 0.00 C ATOM 1501 C CYS B 43 88.096 -16.556 42.000 1.00 0.00 C ATOM 1502 O CYS B 43 88.502 -15.682 42.731 1.00 0.00 O ATOM 1503 CB CYS B 43 89.777 -17.699 40.571 1.00 0.00 C ATOM 1504 SG CYS B 43 90.549 -19.278 40.145 1.00 0.00 S ATOM 0 H CYS B 43 87.777 -19.275 40.630 1.00 0.00 H new ATOM 0 HA CYS B 43 89.489 -18.084 42.670 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.192 -17.333 39.727 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.546 -16.953 40.773 1.00 0.00 H new ATOM 0 HG CYS B 43 89.676 -20.045 39.563 1.00 0.00 H new ATOM 1509 N GLN B 44 86.981 -16.408 41.337 1.00 0.00 N ATOM 1510 CA GLN B 44 86.198 -15.148 41.483 1.00 0.00 C ATOM 1511 C GLN B 44 85.506 -15.118 42.843 1.00 0.00 C ATOM 1512 O GLN B 44 85.953 -14.443 43.748 1.00 0.00 O ATOM 1513 CB GLN B 44 85.156 -15.080 40.369 1.00 0.00 C ATOM 1514 CG GLN B 44 84.491 -13.705 40.369 1.00 0.00 C ATOM 1515 CD GLN B 44 83.432 -13.652 39.261 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.565 -12.805 39.279 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.466 -14.529 38.292 1.00 0.00 N ATOM 0 H GLN B 44 86.580 -17.101 40.704 1.00 0.00 H new ATOM 0 HA GLN B 44 86.868 -14.291 41.413 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.628 -15.266 39.404 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.406 -15.858 40.512 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.030 -13.512 41.338 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.238 -12.927 40.211 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.195 -15.242 38.275 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.764 -14.500 37.553 1.00 0.00 H new