USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=20 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= -0.797 X(o=-3.2,f=-3.3!) USER MOD Set 1.2: B 44 GLN : amide:sc= -2.45! X(o=-3.2!,f=-3.3) USER MOD Set 2.1: B 12 HIS : no HD1:sc= -3.78! C(o=-2.9!,f=-4.4!) USER MOD Set 2.2: B 16 HIS : no HD1:sc= -0.0161 K(o=-2.9,f=-4.2) USER MOD Set 2.3: B 22 MET CE :methyl -161:sc= -0.19 (180deg=-1.55) USER MOD Set 2.4: B 40 CYS SG : rot -142:sc= 1.1 USER MOD Set 2.5: B 43 CYS SG : rot -170:sc= -0.0317 USER MOD Set 3.1: A 12 HIS : no HD1:sc= -3.67! C(o=-2.8!,f=-4.1!) USER MOD Set 3.2: A 16 HIS : no HD1:sc= 0.00396 K(o=-2.8,f=-4) USER MOD Set 3.3: A 22 MET CE :methyl -163:sc= -0.27 (180deg=-1.61) USER MOD Set 3.4: A 40 CYS SG : rot -144:sc= 1.24 USER MOD Set 3.5: A 43 CYS SG : rot -170:sc= -0.0828 USER MOD Single : A 1 PHE N :NH3+ 156:sc= 0.615 (180deg=0.185) USER MOD Single : A 7 LYS NZ :NH3+ -110:sc= -1.49 (180deg=-3.55!) USER MOD Single : A 9 GLN : amide:sc= -3.7! C(o=-3.7!,f=-3.8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.121 USER MOD Single : A 17 SER OG : rot -178:sc= -0.559 USER MOD Single : A 18 ASN : amide:sc=-0.000249 K(o=-0.00025,f=-1.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.291 K(o=-0.29,f=-1.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 71:sc= -0.179 USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= -0.0097 (180deg=-0.164) USER MOD Single : B 1 PHE N :NH3+ 153:sc= 0.505 (180deg=0.139) USER MOD Single : B 7 LYS NZ :NH3+ -113:sc= -1.33 (180deg=-3.34!) USER MOD Single : B 9 GLN : amide:sc= -3.56! C(o=-3.6!,f=-3.2!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.181 USER MOD Single : B 17 SER OG : rot -179:sc= -0.496 USER MOD Single : B 18 ASN : amide:sc=-0.00433 K(o=-0.0043,f=-1.4) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.6!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 78:sc= -0.201 USER MOD Single : B 42 LYS NZ :NH3+ -166:sc= -0.0107 (180deg=-0.266) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.993 -3.514 24.163 1.00 0.00 N ATOM 2 CA PHE A 1 94.395 -4.080 25.407 1.00 0.00 C ATOM 3 C PHE A 1 94.029 -2.943 26.369 1.00 0.00 C ATOM 4 O PHE A 1 92.872 -2.660 26.598 1.00 0.00 O ATOM 5 CB PHE A 1 95.407 -5.010 26.085 1.00 0.00 C ATOM 6 CG PHE A 1 95.563 -6.295 25.292 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.460 -6.351 24.218 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.824 -7.433 25.648 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.620 -7.543 23.500 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.984 -8.622 24.926 1.00 0.00 C ATOM 11 CZ PHE A 1 95.881 -8.679 23.853 1.00 0.00 C ATOM 0 H1 PHE A 1 95.593 -4.232 23.709 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.234 -3.233 23.510 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.569 -2.682 24.402 1.00 0.00 H new ATOM 0 HA PHE A 1 93.497 -4.641 25.150 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.371 -4.508 26.169 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.077 -5.239 27.098 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.029 -5.475 23.943 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.133 -7.392 26.477 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.314 -7.586 22.673 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.414 -9.498 25.198 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.003 -9.598 23.298 1.00 0.00 H new ATOM 23 N LEU A 2 95.012 -2.307 26.951 1.00 0.00 N ATOM 24 CA LEU A 2 94.729 -1.205 27.918 1.00 0.00 C ATOM 25 C LEU A 2 94.190 0.027 27.189 1.00 0.00 C ATOM 26 O LEU A 2 93.258 0.664 27.641 1.00 0.00 O ATOM 27 CB LEU A 2 96.030 -0.826 28.629 1.00 0.00 C ATOM 28 CG LEU A 2 96.725 -2.086 29.158 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.960 -1.678 29.962 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.762 -2.872 30.057 1.00 0.00 C ATOM 0 H LEU A 2 96.001 -2.504 26.798 1.00 0.00 H new ATOM 0 HA LEU A 2 93.982 -1.547 28.635 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.690 -0.299 27.940 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.819 -0.144 29.453 1.00 0.00 H new ATOM 0 HG LEU A 2 97.024 -2.716 28.320 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.459 -2.570 30.341 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.645 -1.124 29.320 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.658 -1.048 30.799 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.261 -3.766 30.430 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.458 -2.248 30.898 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.882 -3.161 29.483 1.00 0.00 H new ATOM 42 N ASP A 3 94.775 0.381 26.082 1.00 0.00 N ATOM 43 CA ASP A 3 94.297 1.588 25.350 1.00 0.00 C ATOM 44 C ASP A 3 92.849 1.385 24.882 1.00 0.00 C ATOM 45 O ASP A 3 92.014 2.258 25.026 1.00 0.00 O ATOM 46 CB ASP A 3 95.205 1.831 24.139 1.00 0.00 C ATOM 47 CG ASP A 3 96.602 2.239 24.614 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.700 2.789 25.700 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.548 1.996 23.884 1.00 0.00 O ATOM 0 H ASP A 3 95.560 -0.109 25.652 1.00 0.00 H new ATOM 0 HA ASP A 3 94.330 2.451 26.015 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.266 0.928 23.532 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.783 2.612 23.507 1.00 0.00 H new ATOM 54 N GLY A 4 92.542 0.242 24.333 1.00 0.00 N ATOM 55 CA GLY A 4 91.148 -0.017 23.859 1.00 0.00 C ATOM 56 C GLY A 4 90.192 -0.064 25.051 1.00 0.00 C ATOM 57 O GLY A 4 89.163 0.577 25.065 1.00 0.00 O ATOM 0 H GLY A 4 93.196 -0.527 24.191 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.840 0.765 23.165 1.00 0.00 H new ATOM 0 HA3 GLY A 4 91.110 -0.960 23.314 1.00 0.00 H new ATOM 61 N ILE A 5 90.528 -0.822 26.051 1.00 0.00 N ATOM 62 CA ILE A 5 89.641 -0.916 27.238 1.00 0.00 C ATOM 63 C ILE A 5 89.455 0.464 27.865 1.00 0.00 C ATOM 64 O ILE A 5 88.376 0.807 28.304 1.00 0.00 O ATOM 65 CB ILE A 5 90.265 -1.875 28.257 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.229 -3.297 27.683 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.476 -1.830 29.572 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.100 -4.246 28.525 1.00 0.00 C ATOM 0 H ILE A 5 91.380 -1.382 26.098 1.00 0.00 H new ATOM 0 HA ILE A 5 88.665 -1.293 26.933 1.00 0.00 H new ATOM 0 HB ILE A 5 91.295 -1.579 28.456 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.202 -3.660 27.663 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.584 -3.288 26.653 1.00 0.00 H new ATOM 0 HG21 ILE A 5 89.927 -2.515 30.290 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.496 -0.817 29.974 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.443 -2.126 29.387 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.060 -5.249 28.100 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.131 -3.892 28.523 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.727 -4.270 29.549 1.00 0.00 H new ATOM 80 N ASP A 6 90.479 1.266 27.919 1.00 0.00 N ATOM 81 CA ASP A 6 90.310 2.606 28.539 1.00 0.00 C ATOM 82 C ASP A 6 89.138 3.321 27.861 1.00 0.00 C ATOM 83 O ASP A 6 88.319 3.939 28.510 1.00 0.00 O ATOM 84 CB ASP A 6 91.584 3.428 28.343 1.00 0.00 C ATOM 85 CG ASP A 6 92.727 2.797 29.138 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.464 1.851 29.861 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.845 3.269 29.010 1.00 0.00 O ATOM 0 H ASP A 6 91.413 1.056 27.566 1.00 0.00 H new ATOM 0 HA ASP A 6 90.114 2.495 29.605 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.843 3.470 27.285 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.421 4.454 28.672 1.00 0.00 H new ATOM 92 N LYS A 7 89.039 3.227 26.564 1.00 0.00 N ATOM 93 CA LYS A 7 87.897 3.885 25.863 1.00 0.00 C ATOM 94 C LYS A 7 86.604 3.147 26.193 1.00 0.00 C ATOM 95 O LYS A 7 85.590 3.745 26.498 1.00 0.00 O ATOM 96 CB LYS A 7 88.130 3.853 24.350 1.00 0.00 C ATOM 97 CG LYS A 7 89.278 4.794 23.985 1.00 0.00 C ATOM 98 CD LYS A 7 89.394 4.899 22.457 1.00 0.00 C ATOM 99 CE LYS A 7 89.884 3.569 21.861 1.00 0.00 C ATOM 100 NZ LYS A 7 88.726 2.656 21.651 1.00 0.00 N ATOM 0 H LYS A 7 89.693 2.727 25.962 1.00 0.00 H new ATOM 0 HA LYS A 7 87.821 4.921 26.194 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.364 2.838 24.030 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.222 4.151 23.826 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.103 5.780 24.415 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.213 4.424 24.406 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.426 5.161 22.030 1.00 0.00 H new ATOM 0 HD3 LYS A 7 90.086 5.699 22.193 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.394 3.749 20.914 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.609 3.105 22.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 88.776 1.870 22.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 87.840 3.181 21.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 88.753 2.279 20.682 1.00 0.00 H new ATOM 114 N ALA A 8 86.637 1.849 26.138 1.00 0.00 N ATOM 115 CA ALA A 8 85.418 1.060 26.452 1.00 0.00 C ATOM 116 C ALA A 8 85.072 1.219 27.926 1.00 0.00 C ATOM 117 O ALA A 8 83.918 1.267 28.302 1.00 0.00 O ATOM 118 CB ALA A 8 85.671 -0.412 26.141 1.00 0.00 C ATOM 0 H ALA A 8 87.458 1.298 25.888 1.00 0.00 H new ATOM 0 HA ALA A 8 84.587 1.421 25.846 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.777 -0.991 26.371 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.914 -0.524 25.084 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.503 -0.774 26.745 1.00 0.00 H new ATOM 124 N GLN A 9 86.061 1.293 28.770 1.00 0.00 N ATOM 125 CA GLN A 9 85.769 1.437 30.217 1.00 0.00 C ATOM 126 C GLN A 9 84.901 2.673 30.425 1.00 0.00 C ATOM 127 O GLN A 9 83.981 2.665 31.218 1.00 0.00 O ATOM 128 CB GLN A 9 87.080 1.579 31.003 1.00 0.00 C ATOM 129 CG GLN A 9 86.824 1.313 32.493 1.00 0.00 C ATOM 130 CD GLN A 9 85.937 2.414 33.078 1.00 0.00 C ATOM 131 OE1 GLN A 9 84.966 2.134 33.753 1.00 0.00 O ATOM 132 NE2 GLN A 9 86.229 3.664 32.845 1.00 0.00 N ATOM 0 H GLN A 9 87.050 1.260 28.522 1.00 0.00 H new ATOM 0 HA GLN A 9 85.241 0.553 30.576 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.822 0.877 30.621 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.489 2.580 30.868 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.344 0.343 32.620 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.771 1.273 33.031 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.044 3.900 32.279 1.00 0.00 H new ATOM 0 HE22 GLN A 9 85.643 4.405 33.229 1.00 0.00 H new ATOM 141 N GLU A 10 85.171 3.737 29.722 1.00 0.00 N ATOM 142 CA GLU A 10 84.332 4.948 29.901 1.00 0.00 C ATOM 143 C GLU A 10 82.892 4.630 29.491 1.00 0.00 C ATOM 144 O GLU A 10 81.952 4.990 30.167 1.00 0.00 O ATOM 145 CB GLU A 10 84.878 6.091 29.043 1.00 0.00 C ATOM 146 CG GLU A 10 84.189 7.397 29.443 1.00 0.00 C ATOM 147 CD GLU A 10 84.712 8.540 28.572 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.560 8.279 27.734 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.248 9.653 28.750 1.00 0.00 O ATOM 0 H GLU A 10 85.926 3.819 29.041 1.00 0.00 H new ATOM 0 HA GLU A 10 84.352 5.253 30.947 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.956 6.179 29.178 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.704 5.883 27.987 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.110 7.301 29.326 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.377 7.612 30.495 1.00 0.00 H new ATOM 156 N GLU A 11 82.710 3.936 28.399 1.00 0.00 N ATOM 157 CA GLU A 11 81.324 3.590 27.968 1.00 0.00 C ATOM 158 C GLU A 11 80.670 2.740 29.060 1.00 0.00 C ATOM 159 O GLU A 11 79.511 2.913 29.384 1.00 0.00 O ATOM 160 CB GLU A 11 81.381 2.799 26.653 1.00 0.00 C ATOM 161 CG GLU A 11 80.008 2.820 25.978 1.00 0.00 C ATOM 162 CD GLU A 11 79.750 4.212 25.398 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.618 5.058 25.532 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.689 4.407 24.829 1.00 0.00 O ATOM 0 H GLU A 11 83.455 3.596 27.791 1.00 0.00 H new ATOM 0 HA GLU A 11 80.741 4.497 27.810 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.130 3.232 25.989 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.685 1.771 26.849 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.967 2.071 25.187 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.232 2.564 26.699 1.00 0.00 H new ATOM 171 N HIS A 12 81.406 1.836 29.642 1.00 0.00 N ATOM 172 CA HIS A 12 80.828 0.989 30.726 1.00 0.00 C ATOM 173 C HIS A 12 80.388 1.859 31.900 1.00 0.00 C ATOM 174 O HIS A 12 79.309 1.702 32.432 1.00 0.00 O ATOM 175 CB HIS A 12 81.868 -0.014 31.224 1.00 0.00 C ATOM 176 CG HIS A 12 81.199 -0.901 32.230 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.889 -2.239 31.955 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.667 -0.632 33.469 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.185 -2.716 33.008 1.00 0.00 C ATOM 180 NE2 HIS A 12 80.037 -1.770 33.927 1.00 0.00 N ATOM 0 H HIS A 12 82.382 1.646 29.416 1.00 0.00 H new ATOM 0 HA HIS A 12 79.968 0.458 30.319 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.259 -0.603 30.395 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.715 0.504 31.674 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.731 0.310 33.994 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.799 -3.722 33.089 1.00 0.00 H new ATOM 0 HE2 HIS A 12 79.544 -1.867 34.815 1.00 0.00 H new ATOM 188 N GLU A 13 81.219 2.765 32.325 1.00 0.00 N ATOM 189 CA GLU A 13 80.845 3.622 33.485 1.00 0.00 C ATOM 190 C GLU A 13 79.567 4.409 33.174 1.00 0.00 C ATOM 191 O GLU A 13 78.706 4.577 34.017 1.00 0.00 O ATOM 192 CB GLU A 13 81.994 4.601 33.775 1.00 0.00 C ATOM 193 CG GLU A 13 81.718 5.340 35.088 1.00 0.00 C ATOM 194 CD GLU A 13 81.841 4.362 36.259 1.00 0.00 C ATOM 195 OE1 GLU A 13 82.555 3.385 36.117 1.00 0.00 O ATOM 196 OE2 GLU A 13 81.213 4.610 37.275 1.00 0.00 O ATOM 0 H GLU A 13 82.138 2.951 31.923 1.00 0.00 H new ATOM 0 HA GLU A 13 80.664 2.991 34.355 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.938 4.060 33.841 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.092 5.315 32.957 1.00 0.00 H new ATOM 0 HG2 GLU A 13 82.424 6.162 35.211 1.00 0.00 H new ATOM 0 HG3 GLU A 13 80.720 5.777 35.069 1.00 0.00 H new ATOM 203 N LYS A 14 79.458 4.910 31.978 1.00 0.00 N ATOM 204 CA LYS A 14 78.263 5.722 31.585 1.00 0.00 C ATOM 205 C LYS A 14 76.951 4.921 31.620 1.00 0.00 C ATOM 206 O LYS A 14 75.900 5.487 31.850 1.00 0.00 O ATOM 207 CB LYS A 14 78.479 6.267 30.168 1.00 0.00 C ATOM 208 CG LYS A 14 79.642 7.265 30.179 1.00 0.00 C ATOM 209 CD LYS A 14 79.990 7.699 28.747 1.00 0.00 C ATOM 210 CE LYS A 14 78.975 8.724 28.229 1.00 0.00 C ATOM 211 NZ LYS A 14 79.488 9.311 26.956 1.00 0.00 N ATOM 0 H LYS A 14 80.154 4.793 31.241 1.00 0.00 H new ATOM 0 HA LYS A 14 78.165 6.528 32.312 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.694 5.449 29.481 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.571 6.753 29.811 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.375 8.137 30.775 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.514 6.812 30.650 1.00 0.00 H new ATOM 0 HD2 LYS A 14 80.991 8.129 28.725 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.002 6.829 28.091 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.009 8.247 28.062 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.819 9.508 28.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.806 10.009 26.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 80.401 9.778 27.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.615 8.556 26.252 1.00 0.00 H new ATOM 225 N TYR A 15 76.971 3.635 31.345 1.00 0.00 N ATOM 226 CA TYR A 15 75.673 2.864 31.317 1.00 0.00 C ATOM 227 C TYR A 15 75.812 1.471 31.942 1.00 0.00 C ATOM 228 O TYR A 15 74.856 0.718 31.987 1.00 0.00 O ATOM 229 CB TYR A 15 75.250 2.692 29.853 1.00 0.00 C ATOM 230 CG TYR A 15 75.431 3.994 29.104 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.398 4.939 29.090 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.626 4.252 28.408 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.554 6.141 28.393 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.780 5.454 27.708 1.00 0.00 C ATOM 235 CZ TYR A 15 75.743 6.399 27.699 1.00 0.00 C ATOM 236 OH TYR A 15 75.895 7.585 27.005 1.00 0.00 O ATOM 0 H TYR A 15 77.810 3.091 31.142 1.00 0.00 H new ATOM 0 HA TYR A 15 74.936 3.422 31.895 1.00 0.00 H new ATOM 0 HB2 TYR A 15 75.845 1.908 29.384 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.208 2.376 29.802 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.478 4.739 29.619 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.423 3.524 28.414 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.758 6.871 28.390 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.697 5.654 27.175 1.00 0.00 H new ATOM 0 HH TYR A 15 75.374 8.290 27.444 1.00 0.00 H new ATOM 246 N HIS A 16 76.978 1.084 32.375 1.00 0.00 N ATOM 247 CA HIS A 16 77.130 -0.290 32.937 1.00 0.00 C ATOM 248 C HIS A 16 76.593 -1.269 31.903 1.00 0.00 C ATOM 249 O HIS A 16 75.839 -2.169 32.204 1.00 0.00 O ATOM 250 CB HIS A 16 76.345 -0.456 34.245 1.00 0.00 C ATOM 251 CG HIS A 16 77.022 0.286 35.367 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.111 -0.217 36.060 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.741 1.485 35.984 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.454 0.631 37.035 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.644 1.697 37.034 1.00 0.00 N ATOM 0 H HIS A 16 77.826 1.651 32.366 1.00 0.00 H new ATOM 0 HA HIS A 16 78.181 -0.474 33.159 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.329 -0.083 34.116 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.266 -1.514 34.497 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.946 2.159 35.701 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.270 0.478 37.726 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.677 2.497 37.666 1.00 0.00 H new ATOM 263 N SER A 17 76.958 -1.073 30.672 1.00 0.00 N ATOM 264 CA SER A 17 76.454 -1.963 29.603 1.00 0.00 C ATOM 265 C SER A 17 77.020 -3.366 29.787 1.00 0.00 C ATOM 266 O SER A 17 78.087 -3.550 30.340 1.00 0.00 O ATOM 267 CB SER A 17 76.881 -1.414 28.244 1.00 0.00 C ATOM 268 OG SER A 17 78.297 -1.480 28.136 1.00 0.00 O ATOM 0 H SER A 17 77.586 -0.332 30.361 1.00 0.00 H new ATOM 0 HA SER A 17 75.366 -2.008 29.654 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.416 -1.990 27.444 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.544 -0.384 28.133 1.00 0.00 H new ATOM 0 HG SER A 17 78.578 -1.101 27.277 1.00 0.00 H new ATOM 274 N ASN A 18 76.318 -4.360 29.318 1.00 0.00 N ATOM 275 CA ASN A 18 76.822 -5.750 29.459 1.00 0.00 C ATOM 276 C ASN A 18 78.004 -5.940 28.510 1.00 0.00 C ATOM 277 O ASN A 18 78.189 -5.189 27.571 1.00 0.00 O ATOM 278 CB ASN A 18 75.716 -6.747 29.102 1.00 0.00 C ATOM 279 CG ASN A 18 74.574 -6.639 30.118 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.767 -6.166 31.221 1.00 0.00 O ATOM 281 ND2 ASN A 18 73.382 -7.057 29.786 1.00 0.00 N ATOM 0 H ASN A 18 75.419 -4.268 28.845 1.00 0.00 H new ATOM 0 HA ASN A 18 77.134 -5.924 30.489 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.342 -6.546 28.098 1.00 0.00 H new ATOM 0 HB3 ASN A 18 76.116 -7.761 29.096 1.00 0.00 H new ATOM 0 HD21 ASN A 18 72.613 -6.987 30.452 1.00 0.00 H new ATOM 0 HD22 ASN A 18 73.220 -7.454 28.860 1.00 0.00 H new ATOM 288 N TRP A 19 78.814 -6.925 28.755 1.00 0.00 N ATOM 289 CA TRP A 19 79.993 -7.154 27.879 1.00 0.00 C ATOM 290 C TRP A 19 79.551 -7.354 26.423 1.00 0.00 C ATOM 291 O TRP A 19 80.277 -7.044 25.502 1.00 0.00 O ATOM 292 CB TRP A 19 80.765 -8.382 28.371 1.00 0.00 C ATOM 293 CG TRP A 19 79.995 -9.632 28.085 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.214 -10.283 28.977 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.925 -10.393 26.846 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.680 -11.403 28.370 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.087 -11.514 27.056 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.502 -10.224 25.572 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.833 -12.436 26.040 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.249 -11.152 24.550 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.415 -12.254 24.782 1.00 0.00 C ATOM 0 H TRP A 19 78.712 -7.585 29.526 1.00 0.00 H new ATOM 0 HA TRP A 19 80.642 -6.279 27.922 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.738 -8.427 27.882 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.950 -8.298 29.442 1.00 0.00 H new ATOM 0 HD1 TRP A 19 79.037 -9.977 29.997 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.061 -12.066 28.836 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.143 -9.376 25.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.191 -13.285 26.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.700 -11.016 23.578 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.222 -12.962 23.990 1.00 0.00 H new ATOM 312 N ARG A 20 78.374 -7.877 26.209 1.00 0.00 N ATOM 313 CA ARG A 20 77.904 -8.103 24.807 1.00 0.00 C ATOM 314 C ARG A 20 77.806 -6.769 24.070 1.00 0.00 C ATOM 315 O ARG A 20 78.157 -6.656 22.913 1.00 0.00 O ATOM 316 CB ARG A 20 76.508 -8.743 24.841 1.00 0.00 C ATOM 317 CG ARG A 20 76.565 -10.120 25.506 1.00 0.00 C ATOM 318 CD ARG A 20 75.159 -10.725 25.530 1.00 0.00 C ATOM 319 NE ARG A 20 75.183 -12.047 26.221 1.00 0.00 N ATOM 320 CZ ARG A 20 74.063 -12.621 26.587 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.920 -12.042 26.343 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.091 -13.776 27.190 1.00 0.00 N ATOM 0 H ARG A 20 77.719 -8.157 26.939 1.00 0.00 H new ATOM 0 HA ARG A 20 78.611 -8.756 24.295 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.819 -8.098 25.386 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.121 -8.838 23.827 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.246 -10.773 24.960 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.953 -10.031 26.521 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.473 -10.050 26.042 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.788 -10.844 24.512 1.00 0.00 H new ATOM 0 HE ARG A 20 76.074 -12.506 26.409 1.00 0.00 H new ATOM 0 HH11 ARG A 20 72.896 -11.141 25.866 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.050 -12.491 26.629 1.00 0.00 H new ATOM 0 HH21 ARG A 20 74.984 -14.232 27.377 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.220 -14.224 27.475 1.00 0.00 H new ATOM 336 N ALA A 21 77.320 -5.761 24.734 1.00 0.00 N ATOM 337 CA ALA A 21 77.179 -4.432 24.082 1.00 0.00 C ATOM 338 C ALA A 21 78.562 -3.838 23.799 1.00 0.00 C ATOM 339 O ALA A 21 78.843 -3.396 22.703 1.00 0.00 O ATOM 340 CB ALA A 21 76.377 -3.512 25.017 1.00 0.00 C ATOM 0 H ALA A 21 77.013 -5.800 25.706 1.00 0.00 H new ATOM 0 HA ALA A 21 76.654 -4.534 23.132 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.264 -2.532 24.554 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.393 -3.944 25.196 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.905 -3.407 25.965 1.00 0.00 H new ATOM 346 N MET A 22 79.429 -3.825 24.767 1.00 0.00 N ATOM 347 CA MET A 22 80.784 -3.260 24.523 1.00 0.00 C ATOM 348 C MET A 22 81.486 -4.072 23.438 1.00 0.00 C ATOM 349 O MET A 22 82.162 -3.530 22.586 1.00 0.00 O ATOM 350 CB MET A 22 81.600 -3.302 25.804 1.00 0.00 C ATOM 351 CG MET A 22 80.979 -2.346 26.821 1.00 0.00 C ATOM 352 SD MET A 22 82.025 -2.262 28.298 1.00 0.00 S ATOM 353 CE MET A 22 81.697 -3.933 28.906 1.00 0.00 C ATOM 0 H MET A 22 79.263 -4.177 25.710 1.00 0.00 H new ATOM 0 HA MET A 22 80.689 -2.224 24.197 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.621 -4.316 26.204 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.633 -3.018 25.602 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.871 -1.354 26.383 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.979 -2.686 27.091 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.993 -4.004 29.953 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.633 -4.151 28.814 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.267 -4.652 28.318 1.00 0.00 H new ATOM 363 N ALA A 23 81.335 -5.369 23.456 1.00 0.00 N ATOM 364 CA ALA A 23 82.001 -6.196 22.413 1.00 0.00 C ATOM 365 C ALA A 23 81.593 -5.670 21.034 1.00 0.00 C ATOM 366 O ALA A 23 82.419 -5.457 20.168 1.00 0.00 O ATOM 367 CB ALA A 23 81.566 -7.658 22.562 1.00 0.00 C ATOM 0 H ALA A 23 80.785 -5.886 24.141 1.00 0.00 H new ATOM 0 HA ALA A 23 83.084 -6.137 22.524 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.054 -8.263 21.798 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.849 -8.023 23.549 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.485 -7.730 22.445 1.00 0.00 H new ATOM 373 N SER A 24 80.323 -5.453 20.829 1.00 0.00 N ATOM 374 CA SER A 24 79.848 -4.928 19.513 1.00 0.00 C ATOM 375 C SER A 24 80.280 -3.465 19.333 1.00 0.00 C ATOM 376 O SER A 24 80.595 -3.034 18.242 1.00 0.00 O ATOM 377 CB SER A 24 78.323 -5.026 19.447 1.00 0.00 C ATOM 378 OG SER A 24 77.894 -4.851 18.102 1.00 0.00 O ATOM 0 H SER A 24 79.589 -5.617 21.518 1.00 0.00 H new ATOM 0 HA SER A 24 80.289 -5.524 18.714 1.00 0.00 H new ATOM 0 HB2 SER A 24 77.994 -5.995 19.822 1.00 0.00 H new ATOM 0 HB3 SER A 24 77.871 -4.267 20.086 1.00 0.00 H new ATOM 0 HG SER A 24 76.917 -4.915 18.059 1.00 0.00 H new ATOM 384 N ASP A 25 80.270 -2.690 20.388 1.00 0.00 N ATOM 385 CA ASP A 25 80.657 -1.250 20.263 1.00 0.00 C ATOM 386 C ASP A 25 82.097 -1.117 19.764 1.00 0.00 C ATOM 387 O ASP A 25 82.398 -0.277 18.940 1.00 0.00 O ATOM 388 CB ASP A 25 80.534 -0.564 21.624 1.00 0.00 C ATOM 389 CG ASP A 25 80.757 0.941 21.456 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.265 1.330 20.416 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.420 1.676 22.368 1.00 0.00 O ATOM 0 H ASP A 25 80.012 -2.990 21.328 1.00 0.00 H new ATOM 0 HA ASP A 25 79.988 -0.776 19.544 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.549 -0.752 22.050 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.266 -0.976 22.319 1.00 0.00 H new ATOM 396 N PHE A 26 82.990 -1.939 20.256 1.00 0.00 N ATOM 397 CA PHE A 26 84.426 -1.870 19.819 1.00 0.00 C ATOM 398 C PHE A 26 84.770 -3.108 18.988 1.00 0.00 C ATOM 399 O PHE A 26 85.883 -3.271 18.535 1.00 0.00 O ATOM 400 CB PHE A 26 85.320 -1.813 21.058 1.00 0.00 C ATOM 401 CG PHE A 26 85.048 -0.526 21.799 1.00 0.00 C ATOM 402 CD1 PHE A 26 84.038 -0.480 22.768 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.796 0.622 21.510 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.777 0.715 23.451 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.535 1.816 22.195 1.00 0.00 C ATOM 406 CZ PHE A 26 84.524 1.861 23.163 1.00 0.00 C ATOM 0 H PHE A 26 82.788 -2.662 20.947 1.00 0.00 H new ATOM 0 HA PHE A 26 84.585 -0.979 19.211 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.124 -2.669 21.704 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.369 -1.867 20.768 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.460 -1.366 22.989 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.573 0.587 20.760 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.999 0.751 24.199 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.113 2.702 21.977 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.321 2.783 23.688 1.00 0.00 H new ATOM 416 N ASN A 27 83.820 -3.979 18.787 1.00 0.00 N ATOM 417 CA ASN A 27 84.087 -5.206 17.983 1.00 0.00 C ATOM 418 C ASN A 27 85.246 -5.995 18.600 1.00 0.00 C ATOM 419 O ASN A 27 86.162 -6.394 17.910 1.00 0.00 O ATOM 420 CB ASN A 27 84.461 -4.814 16.552 1.00 0.00 C ATOM 421 CG ASN A 27 84.375 -6.049 15.652 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.512 -6.884 15.830 1.00 0.00 O ATOM 423 ND2 ASN A 27 85.240 -6.201 14.687 1.00 0.00 N ATOM 0 H ASN A 27 82.869 -3.894 19.145 1.00 0.00 H new ATOM 0 HA ASN A 27 83.188 -5.823 17.976 1.00 0.00 H new ATOM 0 HB2 ASN A 27 83.789 -4.037 16.188 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.469 -4.401 16.527 1.00 0.00 H new ATOM 0 HD21 ASN A 27 85.191 -7.021 14.083 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.965 -5.500 14.537 1.00 0.00 H new ATOM 430 N LEU A 28 85.216 -6.223 19.890 1.00 0.00 N ATOM 431 CA LEU A 28 86.318 -6.987 20.564 1.00 0.00 C ATOM 432 C LEU A 28 85.754 -8.302 21.107 1.00 0.00 C ATOM 433 O LEU A 28 84.581 -8.392 21.410 1.00 0.00 O ATOM 434 CB LEU A 28 86.854 -6.151 21.728 1.00 0.00 C ATOM 435 CG LEU A 28 87.667 -4.960 21.190 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.864 -3.937 22.314 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.048 -5.426 20.681 1.00 0.00 C ATOM 0 H LEU A 28 84.470 -5.911 20.512 1.00 0.00 H new ATOM 0 HA LEU A 28 87.119 -7.196 19.855 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.026 -5.791 22.339 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.480 -6.768 22.372 1.00 0.00 H new ATOM 0 HG LEU A 28 87.122 -4.510 20.360 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.439 -3.091 21.939 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.892 -3.589 22.663 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.401 -4.403 23.140 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.606 -4.568 20.305 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.600 -5.888 21.499 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.914 -6.151 19.879 1.00 0.00 H new ATOM 449 N PRO A 29 86.570 -9.323 21.234 1.00 0.00 N ATOM 450 CA PRO A 29 86.104 -10.638 21.751 1.00 0.00 C ATOM 451 C PRO A 29 85.554 -10.516 23.185 1.00 0.00 C ATOM 452 O PRO A 29 86.005 -9.688 23.952 1.00 0.00 O ATOM 453 CB PRO A 29 87.358 -11.532 21.710 1.00 0.00 C ATOM 454 CG PRO A 29 88.519 -10.589 21.632 1.00 0.00 C ATOM 455 CD PRO A 29 88.006 -9.347 20.905 1.00 0.00 C ATOM 0 HA PRO A 29 85.285 -11.045 21.159 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.421 -12.160 22.599 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.336 -12.200 20.849 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.883 -10.336 22.628 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.352 -11.040 21.093 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.511 -8.444 21.248 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.170 -9.415 19.830 1.00 0.00 H new ATOM 463 N PRO A 30 84.592 -11.328 23.550 1.00 0.00 N ATOM 464 CA PRO A 30 84.007 -11.281 24.913 1.00 0.00 C ATOM 465 C PRO A 30 85.097 -11.171 25.984 1.00 0.00 C ATOM 466 O PRO A 30 84.914 -10.563 27.016 1.00 0.00 O ATOM 467 CB PRO A 30 83.249 -12.615 25.053 1.00 0.00 C ATOM 468 CG PRO A 30 83.020 -13.126 23.653 1.00 0.00 C ATOM 469 CD PRO A 30 83.968 -12.365 22.711 1.00 0.00 C ATOM 0 HA PRO A 30 83.362 -10.413 25.048 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.828 -13.330 25.637 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.302 -12.470 25.573 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.211 -14.198 23.602 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.983 -12.973 23.356 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.718 -13.031 22.284 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.423 -11.922 21.877 1.00 0.00 H new ATOM 477 N VAL A 31 86.223 -11.772 25.746 1.00 0.00 N ATOM 478 CA VAL A 31 87.323 -11.733 26.754 1.00 0.00 C ATOM 479 C VAL A 31 87.622 -10.295 27.166 1.00 0.00 C ATOM 480 O VAL A 31 87.661 -9.976 28.341 1.00 0.00 O ATOM 481 CB VAL A 31 88.586 -12.378 26.135 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.862 -11.988 26.909 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.439 -13.901 26.163 1.00 0.00 C ATOM 0 H VAL A 31 86.435 -12.292 24.895 1.00 0.00 H new ATOM 0 HA VAL A 31 87.019 -12.285 27.643 1.00 0.00 H new ATOM 0 HB VAL A 31 88.681 -12.016 25.111 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.728 -12.460 26.445 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.984 -10.905 26.887 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.777 -12.323 27.943 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.327 -14.360 25.728 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.325 -14.237 27.194 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.560 -14.192 25.587 1.00 0.00 H new ATOM 493 N VAL A 32 87.849 -9.428 26.229 1.00 0.00 N ATOM 494 CA VAL A 32 88.168 -8.030 26.616 1.00 0.00 C ATOM 495 C VAL A 32 86.934 -7.385 27.245 1.00 0.00 C ATOM 496 O VAL A 32 87.005 -6.782 28.295 1.00 0.00 O ATOM 497 CB VAL A 32 88.606 -7.233 25.387 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.947 -5.800 25.807 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.842 -7.901 24.774 1.00 0.00 C ATOM 0 H VAL A 32 87.829 -9.619 25.227 1.00 0.00 H new ATOM 0 HA VAL A 32 88.983 -8.032 27.339 1.00 0.00 H new ATOM 0 HB VAL A 32 87.801 -7.210 24.652 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.260 -5.229 24.933 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.068 -5.332 26.251 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.756 -5.818 26.537 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.162 -7.339 23.896 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.648 -7.918 25.508 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.596 -8.922 24.482 1.00 0.00 H new ATOM 509 N ALA A 33 85.803 -7.515 26.616 1.00 0.00 N ATOM 510 CA ALA A 33 84.568 -6.913 27.184 1.00 0.00 C ATOM 511 C ALA A 33 84.221 -7.586 28.520 1.00 0.00 C ATOM 512 O ALA A 33 83.845 -6.931 29.471 1.00 0.00 O ATOM 513 CB ALA A 33 83.414 -7.100 26.197 1.00 0.00 C ATOM 0 H ALA A 33 85.680 -8.012 25.734 1.00 0.00 H new ATOM 0 HA ALA A 33 84.733 -5.850 27.357 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.507 -6.660 26.610 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.658 -6.610 25.255 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.254 -8.164 26.022 1.00 0.00 H new ATOM 519 N LYS A 34 84.336 -8.887 28.608 1.00 0.00 N ATOM 520 CA LYS A 34 84.004 -9.566 29.895 1.00 0.00 C ATOM 521 C LYS A 34 84.941 -9.100 31.003 1.00 0.00 C ATOM 522 O LYS A 34 84.545 -8.974 32.145 1.00 0.00 O ATOM 523 CB LYS A 34 84.105 -11.083 29.733 1.00 0.00 C ATOM 524 CG LYS A 34 82.927 -11.579 28.884 1.00 0.00 C ATOM 525 CD LYS A 34 83.156 -13.035 28.473 1.00 0.00 C ATOM 526 CE LYS A 34 83.017 -13.956 29.690 1.00 0.00 C ATOM 527 NZ LYS A 34 82.914 -15.371 29.232 1.00 0.00 N ATOM 0 H LYS A 34 84.642 -9.502 27.853 1.00 0.00 H new ATOM 0 HA LYS A 34 82.982 -9.304 30.168 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.049 -11.348 29.257 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.094 -11.567 30.710 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.999 -11.494 29.449 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.819 -10.955 27.997 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.436 -13.322 27.707 1.00 0.00 H new ATOM 0 HD3 LYS A 34 84.148 -13.145 28.036 1.00 0.00 H new ATOM 0 HE2 LYS A 34 83.877 -13.837 30.349 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.133 -13.684 30.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.820 -15.997 30.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.080 -15.478 28.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.770 -15.627 28.700 1.00 0.00 H new ATOM 541 N GLU A 35 86.185 -8.852 30.692 1.00 0.00 N ATOM 542 CA GLU A 35 87.128 -8.409 31.753 1.00 0.00 C ATOM 543 C GLU A 35 86.639 -7.099 32.365 1.00 0.00 C ATOM 544 O GLU A 35 86.748 -6.884 33.558 1.00 0.00 O ATOM 545 CB GLU A 35 88.523 -8.209 31.157 1.00 0.00 C ATOM 546 CG GLU A 35 89.542 -7.998 32.286 1.00 0.00 C ATOM 547 CD GLU A 35 89.409 -6.583 32.859 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.932 -5.715 32.147 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.792 -6.391 34.000 1.00 0.00 O ATOM 0 H GLU A 35 86.584 -8.937 29.757 1.00 0.00 H new ATOM 0 HA GLU A 35 87.175 -9.173 32.529 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.802 -9.077 30.560 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.523 -7.348 30.488 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.381 -8.734 33.074 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.553 -8.152 31.908 1.00 0.00 H new ATOM 556 N ILE A 36 86.107 -6.219 31.564 1.00 0.00 N ATOM 557 CA ILE A 36 85.620 -4.931 32.118 1.00 0.00 C ATOM 558 C ILE A 36 84.531 -5.229 33.147 1.00 0.00 C ATOM 559 O ILE A 36 84.462 -4.621 34.195 1.00 0.00 O ATOM 560 CB ILE A 36 85.055 -4.071 30.984 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.123 -3.891 29.901 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.654 -2.688 31.518 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.605 -2.941 28.817 1.00 0.00 C ATOM 0 H ILE A 36 85.990 -6.336 30.558 1.00 0.00 H new ATOM 0 HA ILE A 36 86.436 -4.388 32.595 1.00 0.00 H new ATOM 0 HB ILE A 36 84.178 -4.568 30.569 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.037 -3.492 30.341 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.375 -4.856 29.462 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.254 -2.085 30.703 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.894 -2.803 32.291 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.529 -2.193 31.939 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.368 -2.816 28.048 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.703 -3.358 28.369 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.375 -1.973 29.261 1.00 0.00 H new ATOM 575 N VAL A 37 83.684 -6.177 32.859 1.00 0.00 N ATOM 576 CA VAL A 37 82.609 -6.525 33.827 1.00 0.00 C ATOM 577 C VAL A 37 83.245 -7.085 35.101 1.00 0.00 C ATOM 578 O VAL A 37 82.830 -6.783 36.203 1.00 0.00 O ATOM 579 CB VAL A 37 81.693 -7.578 33.205 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.675 -8.051 34.244 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.956 -6.969 32.012 1.00 0.00 C ATOM 0 H VAL A 37 83.690 -6.724 31.998 1.00 0.00 H new ATOM 0 HA VAL A 37 82.026 -5.637 34.070 1.00 0.00 H new ATOM 0 HB VAL A 37 82.291 -8.426 32.871 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.023 -8.802 33.799 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.199 -8.485 35.096 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.077 -7.204 34.579 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.302 -7.719 31.567 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.360 -6.120 32.347 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.680 -6.633 31.270 1.00 0.00 H new ATOM 591 N ALA A 38 84.262 -7.885 34.960 1.00 0.00 N ATOM 592 CA ALA A 38 84.936 -8.444 36.162 1.00 0.00 C ATOM 593 C ALA A 38 85.509 -7.290 36.987 1.00 0.00 C ATOM 594 O ALA A 38 85.606 -7.359 38.196 1.00 0.00 O ATOM 595 CB ALA A 38 86.063 -9.388 35.724 1.00 0.00 C ATOM 0 H ALA A 38 84.656 -8.176 34.065 1.00 0.00 H new ATOM 0 HA ALA A 38 84.222 -9.004 36.766 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.557 -9.798 36.605 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.646 -10.202 35.130 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.788 -8.836 35.125 1.00 0.00 H new ATOM 601 N SER A 39 85.887 -6.224 36.331 1.00 0.00 N ATOM 602 CA SER A 39 86.450 -5.055 37.060 1.00 0.00 C ATOM 603 C SER A 39 85.321 -4.245 37.698 1.00 0.00 C ATOM 604 O SER A 39 85.492 -3.627 38.731 1.00 0.00 O ATOM 605 CB SER A 39 87.213 -4.170 36.077 1.00 0.00 C ATOM 606 OG SER A 39 88.269 -4.922 35.497 1.00 0.00 O ATOM 0 H SER A 39 85.829 -6.115 35.319 1.00 0.00 H new ATOM 0 HA SER A 39 87.123 -5.408 37.841 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.541 -3.805 35.300 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.612 -3.295 36.590 1.00 0.00 H new ATOM 0 HG SER A 39 87.897 -5.586 34.879 1.00 0.00 H new ATOM 612 N CYS A 40 84.161 -4.237 37.093 1.00 0.00 N ATOM 613 CA CYS A 40 83.030 -3.462 37.671 1.00 0.00 C ATOM 614 C CYS A 40 82.379 -4.279 38.786 1.00 0.00 C ATOM 615 O CYS A 40 81.655 -5.225 38.544 1.00 0.00 O ATOM 616 CB CYS A 40 82.006 -3.157 36.584 1.00 0.00 C ATOM 617 SG CYS A 40 80.550 -2.405 37.343 1.00 0.00 S ATOM 0 H CYS A 40 83.951 -4.733 36.227 1.00 0.00 H new ATOM 0 HA CYS A 40 83.401 -2.522 38.080 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.434 -2.483 35.842 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.728 -4.072 36.061 1.00 0.00 H new ATOM 0 HG CYS A 40 79.480 -2.810 36.725 1.00 0.00 H new ATOM 622 N ASP A 41 82.648 -3.917 40.011 1.00 0.00 N ATOM 623 CA ASP A 41 82.079 -4.656 41.177 1.00 0.00 C ATOM 624 C ASP A 41 80.548 -4.619 41.153 1.00 0.00 C ATOM 625 O ASP A 41 79.890 -5.523 41.634 1.00 0.00 O ATOM 626 CB ASP A 41 82.563 -3.982 42.463 1.00 0.00 C ATOM 627 CG ASP A 41 84.087 -4.060 42.542 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.661 -4.796 41.762 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.655 -3.380 43.384 1.00 0.00 O ATOM 0 H ASP A 41 83.247 -3.129 40.258 1.00 0.00 H new ATOM 0 HA ASP A 41 82.406 -5.695 41.130 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.241 -2.941 42.483 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.119 -4.470 43.330 1.00 0.00 H new ATOM 634 N LYS A 42 79.976 -3.575 40.623 1.00 0.00 N ATOM 635 CA LYS A 42 78.489 -3.480 40.606 1.00 0.00 C ATOM 636 C LYS A 42 77.894 -4.477 39.606 1.00 0.00 C ATOM 637 O LYS A 42 76.880 -5.093 39.866 1.00 0.00 O ATOM 638 CB LYS A 42 78.077 -2.063 40.208 1.00 0.00 C ATOM 639 CG LYS A 42 78.595 -1.057 41.237 1.00 0.00 C ATOM 640 CD LYS A 42 77.958 0.303 40.957 1.00 0.00 C ATOM 641 CE LYS A 42 78.614 1.390 41.813 1.00 0.00 C ATOM 642 NZ LYS A 42 78.436 1.081 43.258 1.00 0.00 N ATOM 0 H LYS A 42 80.469 -2.787 40.203 1.00 0.00 H new ATOM 0 HA LYS A 42 78.113 -3.715 41.602 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.475 -1.824 39.222 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.991 -1.998 40.138 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.350 -1.388 42.246 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.681 -0.984 41.181 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.064 0.550 39.901 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.890 0.261 41.168 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.676 1.459 41.576 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.173 2.360 41.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.715 1.906 43.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.438 0.854 43.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.030 0.267 43.515 1.00 0.00 H new ATOM 656 N CYS A 43 78.505 -4.641 38.465 1.00 0.00 N ATOM 657 CA CYS A 43 77.960 -5.600 37.459 1.00 0.00 C ATOM 658 C CYS A 43 78.450 -7.016 37.780 1.00 0.00 C ATOM 659 O CYS A 43 77.841 -7.992 37.394 1.00 0.00 O ATOM 660 CB CYS A 43 78.429 -5.191 36.059 1.00 0.00 C ATOM 661 SG CYS A 43 77.558 -3.687 35.540 1.00 0.00 S ATOM 0 H CYS A 43 79.356 -4.154 38.185 1.00 0.00 H new ATOM 0 HA CYS A 43 76.871 -5.584 37.492 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.505 -5.018 36.061 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.238 -5.997 35.351 1.00 0.00 H new ATOM 0 HG CYS A 43 77.796 -3.460 34.282 1.00 0.00 H new ATOM 666 N GLN A 44 79.544 -7.134 38.489 1.00 0.00 N ATOM 667 CA GLN A 44 80.068 -8.489 38.834 1.00 0.00 C ATOM 668 C GLN A 44 79.260 -9.068 39.999 1.00 0.00 C ATOM 669 O GLN A 44 78.480 -9.982 39.827 1.00 0.00 O ATOM 670 CB GLN A 44 81.548 -8.374 39.229 1.00 0.00 C ATOM 671 CG GLN A 44 82.175 -9.770 39.344 1.00 0.00 C ATOM 672 CD GLN A 44 83.576 -9.650 39.951 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.234 -8.527 39.828 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.080 -10.589 40.532 1.00 0.00 N ATOM 0 H GLN A 44 80.095 -6.352 38.843 1.00 0.00 H new ATOM 0 HA GLN A 44 79.975 -9.150 37.973 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.086 -7.786 38.486 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.639 -7.847 40.179 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.551 -10.411 39.966 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.231 -10.238 38.361 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.566 -11.465 40.628 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.017 -10.502 40.925 1.00 0.00 H new ATOM 844 N PHE B 1 93.644 -14.265 21.516 1.00 0.00 N ATOM 845 CA PHE B 1 92.727 -14.101 22.680 1.00 0.00 C ATOM 846 C PHE B 1 92.189 -15.469 23.113 1.00 0.00 C ATOM 847 O PHE B 1 92.521 -15.970 24.167 1.00 0.00 O ATOM 848 CB PHE B 1 91.553 -13.199 22.287 1.00 0.00 C ATOM 849 CG PHE B 1 92.008 -11.759 22.173 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.532 -11.284 20.963 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.888 -10.893 23.272 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.931 -9.945 20.848 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.290 -9.556 23.157 1.00 0.00 C ATOM 854 CZ PHE B 1 92.813 -9.083 21.947 1.00 0.00 C ATOM 0 H1 PHE B 1 93.646 -13.393 20.950 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.607 -14.458 21.857 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.319 -15.059 20.928 1.00 0.00 H new ATOM 0 HA PHE B 1 93.276 -13.648 23.505 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.134 -13.531 21.337 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.760 -13.279 23.031 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.628 -11.950 20.118 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.486 -11.258 24.206 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.329 -9.578 19.913 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.197 -8.890 24.002 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.126 -8.053 21.861 1.00 0.00 H new ATOM 866 N LEU B 2 91.346 -16.069 22.317 1.00 0.00 N ATOM 867 CA LEU B 2 90.775 -17.393 22.694 1.00 0.00 C ATOM 868 C LEU B 2 91.844 -18.485 22.593 1.00 0.00 C ATOM 869 O LEU B 2 91.952 -19.341 23.448 1.00 0.00 O ATOM 870 CB LEU B 2 89.633 -17.729 21.739 1.00 0.00 C ATOM 871 CG LEU B 2 88.678 -16.536 21.632 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.492 -16.926 20.753 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.178 -16.139 23.029 1.00 0.00 C ATOM 0 H LEU B 2 91.028 -15.699 21.421 1.00 0.00 H new ATOM 0 HA LEU B 2 90.413 -17.344 23.721 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.031 -17.978 20.755 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.094 -18.607 22.096 1.00 0.00 H new ATOM 0 HG LEU B 2 89.202 -15.688 21.191 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.807 -16.082 20.671 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.849 -17.201 19.761 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.972 -17.774 21.199 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.499 -15.290 22.945 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.652 -16.981 23.480 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.027 -15.864 23.655 1.00 0.00 H new ATOM 885 N ASP B 3 92.618 -18.475 21.545 1.00 0.00 N ATOM 886 CA ASP B 3 93.660 -19.524 21.379 1.00 0.00 C ATOM 887 C ASP B 3 94.689 -19.447 22.517 1.00 0.00 C ATOM 888 O ASP B 3 95.075 -20.450 23.086 1.00 0.00 O ATOM 889 CB ASP B 3 94.352 -19.315 20.030 1.00 0.00 C ATOM 890 CG ASP B 3 93.351 -19.582 18.902 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.424 -20.340 19.127 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.529 -19.019 17.834 1.00 0.00 O ATOM 0 H ASP B 3 92.574 -17.785 20.795 1.00 0.00 H new ATOM 0 HA ASP B 3 93.194 -20.509 21.411 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.735 -18.297 19.959 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.207 -19.985 19.939 1.00 0.00 H new ATOM 897 N GLY B 4 95.128 -18.267 22.862 1.00 0.00 N ATOM 898 CA GLY B 4 96.128 -18.141 23.967 1.00 0.00 C ATOM 899 C GLY B 4 95.475 -18.514 25.296 1.00 0.00 C ATOM 900 O GLY B 4 96.007 -19.287 26.070 1.00 0.00 O ATOM 0 H GLY B 4 94.841 -17.388 22.431 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.981 -18.792 23.775 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.509 -17.121 24.011 1.00 0.00 H new ATOM 904 N ILE B 5 94.324 -17.971 25.570 1.00 0.00 N ATOM 905 CA ILE B 5 93.636 -18.290 26.850 1.00 0.00 C ATOM 906 C ILE B 5 93.357 -19.786 26.940 1.00 0.00 C ATOM 907 O ILE B 5 93.455 -20.374 27.996 1.00 0.00 O ATOM 908 CB ILE B 5 92.326 -17.511 26.935 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.646 -16.018 27.072 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.518 -17.975 28.152 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.387 -15.171 26.845 1.00 0.00 C ATOM 0 H ILE B 5 93.829 -17.319 24.962 1.00 0.00 H new ATOM 0 HA ILE B 5 94.281 -18.004 27.681 1.00 0.00 H new ATOM 0 HB ILE B 5 91.738 -17.686 26.034 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.052 -15.817 28.064 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.414 -15.738 26.351 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.585 -17.414 28.205 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.297 -19.038 28.058 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.096 -17.803 29.060 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.636 -14.115 26.947 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.999 -15.358 25.844 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.631 -15.438 27.583 1.00 0.00 H new ATOM 923 N ASP B 6 92.995 -20.410 25.859 1.00 0.00 N ATOM 924 CA ASP B 6 92.699 -21.863 25.938 1.00 0.00 C ATOM 925 C ASP B 6 93.905 -22.587 26.534 1.00 0.00 C ATOM 926 O ASP B 6 93.763 -23.457 27.370 1.00 0.00 O ATOM 927 CB ASP B 6 92.415 -22.401 24.539 1.00 0.00 C ATOM 928 CG ASP B 6 91.113 -21.789 24.018 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.468 -21.087 24.778 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.783 -22.035 22.870 1.00 0.00 O ATOM 0 H ASP B 6 92.892 -19.986 24.937 1.00 0.00 H new ATOM 0 HA ASP B 6 91.826 -22.028 26.569 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.239 -22.157 23.869 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.335 -23.488 24.564 1.00 0.00 H new ATOM 935 N LYS B 7 95.089 -22.228 26.126 1.00 0.00 N ATOM 936 CA LYS B 7 96.297 -22.886 26.696 1.00 0.00 C ATOM 937 C LYS B 7 96.470 -22.460 28.149 1.00 0.00 C ATOM 938 O LYS B 7 96.738 -23.260 29.020 1.00 0.00 O ATOM 939 CB LYS B 7 97.533 -22.463 25.901 1.00 0.00 C ATOM 940 CG LYS B 7 97.481 -23.075 24.502 1.00 0.00 C ATOM 941 CD LYS B 7 98.801 -22.797 23.767 1.00 0.00 C ATOM 942 CE LYS B 7 98.938 -21.298 23.457 1.00 0.00 C ATOM 943 NZ LYS B 7 99.537 -20.602 24.632 1.00 0.00 N ATOM 0 H LYS B 7 95.273 -21.510 25.425 1.00 0.00 H new ATOM 0 HA LYS B 7 96.177 -23.968 26.641 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.578 -21.376 25.831 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.437 -22.787 26.417 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.311 -24.149 24.570 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.646 -22.655 23.941 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.641 -23.126 24.378 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.836 -23.371 22.841 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.564 -21.153 22.577 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.961 -20.872 23.227 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.833 -19.962 25.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.832 -21.305 25.339 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.365 -20.052 24.325 1.00 0.00 H new ATOM 957 N ALA B 8 96.322 -21.193 28.407 1.00 0.00 N ATOM 958 CA ALA B 8 96.477 -20.693 29.797 1.00 0.00 C ATOM 959 C ALA B 8 95.341 -21.226 30.660 1.00 0.00 C ATOM 960 O ALA B 8 95.515 -21.515 31.828 1.00 0.00 O ATOM 961 CB ALA B 8 96.445 -19.166 29.799 1.00 0.00 C ATOM 0 H ALA B 8 96.100 -20.480 27.712 1.00 0.00 H new ATOM 0 HA ALA B 8 97.430 -21.036 30.199 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.559 -18.801 30.820 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.260 -18.784 29.184 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.493 -18.821 29.395 1.00 0.00 H new ATOM 967 N GLN B 9 94.172 -21.350 30.097 1.00 0.00 N ATOM 968 CA GLN B 9 93.029 -21.854 30.897 1.00 0.00 C ATOM 969 C GLN B 9 93.381 -23.229 31.452 1.00 0.00 C ATOM 970 O GLN B 9 93.083 -23.545 32.585 1.00 0.00 O ATOM 971 CB GLN B 9 91.783 -21.957 30.006 1.00 0.00 C ATOM 972 CG GLN B 9 90.527 -22.060 30.874 1.00 0.00 C ATOM 973 CD GLN B 9 90.514 -23.391 31.630 1.00 0.00 C ATOM 974 OE1 GLN B 9 90.268 -23.426 32.820 1.00 0.00 O ATOM 975 NE2 GLN B 9 90.768 -24.498 30.987 1.00 0.00 N ATOM 0 H GLN B 9 93.962 -21.125 29.124 1.00 0.00 H new ATOM 0 HA GLN B 9 92.822 -21.169 31.719 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.716 -21.084 29.357 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.860 -22.830 29.358 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.496 -21.231 31.581 1.00 0.00 H new ATOM 0 HG3 GLN B 9 89.637 -21.979 30.250 1.00 0.00 H new ATOM 0 HE21 GLN B 9 90.975 -24.472 29.989 1.00 0.00 H new ATOM 0 HE22 GLN B 9 90.760 -25.389 31.483 1.00 0.00 H new ATOM 984 N GLU B 10 94.030 -24.050 30.672 1.00 0.00 N ATOM 985 CA GLU B 10 94.401 -25.390 31.189 1.00 0.00 C ATOM 986 C GLU B 10 95.351 -25.223 32.378 1.00 0.00 C ATOM 987 O GLU B 10 95.225 -25.897 33.380 1.00 0.00 O ATOM 988 CB GLU B 10 95.079 -26.197 30.079 1.00 0.00 C ATOM 989 CG GLU B 10 95.239 -27.650 30.524 1.00 0.00 C ATOM 990 CD GLU B 10 95.988 -28.430 29.446 1.00 0.00 C ATOM 991 OE1 GLU B 10 96.302 -27.836 28.429 1.00 0.00 O ATOM 992 OE2 GLU B 10 96.238 -29.604 29.656 1.00 0.00 O ATOM 0 H GLU B 10 94.315 -23.852 29.713 1.00 0.00 H new ATOM 0 HA GLU B 10 93.508 -25.923 31.515 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.485 -26.149 29.166 1.00 0.00 H new ATOM 0 HB3 GLU B 10 96.054 -25.768 29.847 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.784 -27.695 31.467 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.261 -28.098 30.700 1.00 0.00 H new ATOM 999 N GLU B 11 96.294 -24.319 32.284 1.00 0.00 N ATOM 1000 CA GLU B 11 97.231 -24.109 33.424 1.00 0.00 C ATOM 1001 C GLU B 11 96.426 -23.656 34.643 1.00 0.00 C ATOM 1002 O GLU B 11 96.659 -24.095 35.750 1.00 0.00 O ATOM 1003 CB GLU B 11 98.266 -23.041 33.048 1.00 0.00 C ATOM 1004 CG GLU B 11 99.450 -23.106 34.015 1.00 0.00 C ATOM 1005 CD GLU B 11 100.293 -24.346 33.706 1.00 0.00 C ATOM 1006 OE1 GLU B 11 99.977 -25.029 32.747 1.00 0.00 O ATOM 1007 OE2 GLU B 11 101.250 -24.586 34.428 1.00 0.00 O ATOM 0 H GLU B 11 96.453 -23.722 31.472 1.00 0.00 H new ATOM 0 HA GLU B 11 97.754 -25.037 33.656 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.610 -23.198 32.026 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.810 -22.051 33.082 1.00 0.00 H new ATOM 0 HG2 GLU B 11 100.059 -22.207 33.922 1.00 0.00 H new ATOM 0 HG3 GLU B 11 99.092 -23.144 35.044 1.00 0.00 H new ATOM 1014 N HIS B 12 95.468 -22.795 34.445 1.00 0.00 N ATOM 1015 CA HIS B 12 94.641 -22.328 35.592 1.00 0.00 C ATOM 1016 C HIS B 12 93.914 -23.512 36.234 1.00 0.00 C ATOM 1017 O HIS B 12 93.891 -23.660 37.437 1.00 0.00 O ATOM 1018 CB HIS B 12 93.599 -21.316 35.106 1.00 0.00 C ATOM 1019 CG HIS B 12 92.865 -20.807 36.308 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.055 -19.513 36.801 1.00 0.00 N ATOM 1021 CD2 HIS B 12 92.032 -21.438 37.201 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.362 -19.414 37.957 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.741 -20.553 38.220 1.00 0.00 N ATOM 0 H HIS B 12 95.222 -22.395 33.540 1.00 0.00 H new ATOM 0 HA HIS B 12 95.299 -21.860 36.325 1.00 0.00 H new ATOM 0 HB2 HIS B 12 94.081 -20.495 34.576 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.908 -21.785 34.406 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.668 -22.451 37.120 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.321 -18.531 38.578 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.152 -20.743 39.031 1.00 0.00 H new ATOM 1031 N GLU B 13 93.309 -24.348 35.443 1.00 0.00 N ATOM 1032 CA GLU B 13 92.569 -25.507 36.021 1.00 0.00 C ATOM 1033 C GLU B 13 93.522 -26.388 36.836 1.00 0.00 C ATOM 1034 O GLU B 13 93.172 -26.891 37.883 1.00 0.00 O ATOM 1035 CB GLU B 13 91.965 -26.341 34.883 1.00 0.00 C ATOM 1036 CG GLU B 13 91.039 -27.416 35.463 1.00 0.00 C ATOM 1037 CD GLU B 13 89.814 -26.749 36.090 1.00 0.00 C ATOM 1038 OE1 GLU B 13 89.511 -25.632 35.708 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.203 -27.367 36.946 1.00 0.00 O ATOM 0 H GLU B 13 93.293 -24.283 34.425 1.00 0.00 H new ATOM 0 HA GLU B 13 91.779 -25.135 36.673 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.408 -25.696 34.203 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.759 -26.808 34.301 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.729 -28.106 34.678 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.570 -28.003 36.212 1.00 0.00 H new ATOM 1046 N LYS B 14 94.708 -26.600 36.338 1.00 0.00 N ATOM 1047 CA LYS B 14 95.688 -27.475 37.047 1.00 0.00 C ATOM 1048 C LYS B 14 96.106 -26.921 38.419 1.00 0.00 C ATOM 1049 O LYS B 14 96.423 -27.682 39.309 1.00 0.00 O ATOM 1050 CB LYS B 14 96.934 -27.647 36.169 1.00 0.00 C ATOM 1051 CG LYS B 14 96.564 -28.424 34.898 1.00 0.00 C ATOM 1052 CD LYS B 14 97.754 -28.445 33.925 1.00 0.00 C ATOM 1053 CE LYS B 14 98.826 -29.433 34.401 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.816 -29.648 33.306 1.00 0.00 N ATOM 0 H LYS B 14 95.045 -26.201 35.462 1.00 0.00 H new ATOM 0 HA LYS B 14 95.197 -28.432 37.225 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.343 -26.672 35.905 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.709 -28.179 36.720 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.278 -29.444 35.156 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.701 -27.962 34.419 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.411 -28.725 32.929 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.183 -27.446 33.845 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.326 -29.046 35.289 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.366 -30.380 34.682 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.545 -30.318 33.624 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.331 -30.035 32.471 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.262 -28.742 33.059 1.00 0.00 H new ATOM 1068 N TYR B 15 96.159 -25.620 38.604 1.00 0.00 N ATOM 1069 CA TYR B 15 96.629 -25.082 39.933 1.00 0.00 C ATOM 1070 C TYR B 15 95.810 -23.869 40.391 1.00 0.00 C ATOM 1071 O TYR B 15 96.068 -23.315 41.443 1.00 0.00 O ATOM 1072 CB TYR B 15 98.086 -24.644 39.789 1.00 0.00 C ATOM 1073 CG TYR B 15 98.863 -25.688 39.024 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.469 -26.747 39.712 1.00 0.00 C ATOM 1075 CD2 TYR B 15 98.990 -25.594 37.627 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.199 -27.713 39.010 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.721 -26.559 36.927 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.326 -27.619 37.618 1.00 0.00 C ATOM 1079 OH TYR B 15 101.051 -28.568 36.926 1.00 0.00 O ATOM 0 H TYR B 15 95.904 -24.917 37.910 1.00 0.00 H new ATOM 0 HA TYR B 15 96.511 -25.872 40.674 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.138 -23.687 39.270 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.530 -24.497 40.774 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.373 -26.818 40.785 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.524 -24.778 37.095 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.664 -28.530 39.541 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.820 -26.488 35.854 1.00 0.00 H new ATOM 0 HH TYR B 15 101.000 -29.426 37.397 1.00 0.00 H new ATOM 1089 N HIS B 16 94.867 -23.412 39.618 1.00 0.00 N ATOM 1090 CA HIS B 16 94.102 -22.204 40.038 1.00 0.00 C ATOM 1091 C HIS B 16 95.115 -21.104 40.337 1.00 0.00 C ATOM 1092 O HIS B 16 95.020 -20.397 41.320 1.00 0.00 O ATOM 1093 CB HIS B 16 93.261 -22.480 41.298 1.00 0.00 C ATOM 1094 CG HIS B 16 92.060 -23.334 40.971 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.901 -22.836 40.398 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.791 -24.671 41.185 1.00 0.00 C ATOM 1097 CE1 HIS B 16 89.999 -23.816 40.283 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.491 -24.967 40.750 1.00 0.00 N ATOM 0 H HIS B 16 94.594 -23.816 38.722 1.00 0.00 H new ATOM 0 HA HIS B 16 93.416 -21.912 39.242 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.875 -22.981 42.047 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.933 -21.537 41.734 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.478 -25.381 41.621 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.009 -23.694 39.869 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.020 -25.871 40.783 1.00 0.00 H new ATOM 1106 N SER B 17 96.110 -20.982 39.502 1.00 0.00 N ATOM 1107 CA SER B 17 97.154 -19.955 39.739 1.00 0.00 C ATOM 1108 C SER B 17 96.547 -18.560 39.639 1.00 0.00 C ATOM 1109 O SER B 17 95.567 -18.345 38.955 1.00 0.00 O ATOM 1110 CB SER B 17 98.262 -20.104 38.699 1.00 0.00 C ATOM 1111 OG SER B 17 97.745 -19.774 37.418 1.00 0.00 O ATOM 0 H SER B 17 96.242 -21.551 38.666 1.00 0.00 H new ATOM 0 HA SER B 17 97.568 -20.093 40.738 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.100 -19.452 38.946 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.643 -21.125 38.699 1.00 0.00 H new ATOM 0 HG SER B 17 98.448 -19.882 36.744 1.00 0.00 H new ATOM 1117 N ASN B 18 97.131 -17.607 40.312 1.00 0.00 N ATOM 1118 CA ASN B 18 96.594 -16.221 40.255 1.00 0.00 C ATOM 1119 C ASN B 18 96.889 -15.628 38.877 1.00 0.00 C ATOM 1120 O ASN B 18 97.747 -16.104 38.155 1.00 0.00 O ATOM 1121 CB ASN B 18 97.253 -15.366 41.341 1.00 0.00 C ATOM 1122 CG ASN B 18 96.882 -15.908 42.723 1.00 0.00 C ATOM 1123 OD1 ASN B 18 95.911 -16.625 42.869 1.00 0.00 O ATOM 1124 ND2 ASN B 18 97.619 -15.591 43.753 1.00 0.00 N ATOM 0 H ASN B 18 97.957 -17.729 40.898 1.00 0.00 H new ATOM 0 HA ASN B 18 95.517 -16.237 40.423 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.336 -15.374 41.216 1.00 0.00 H new ATOM 0 HB3 ASN B 18 96.929 -14.330 41.248 1.00 0.00 H new ATOM 0 HD21 ASN B 18 97.380 -15.945 44.679 1.00 0.00 H new ATOM 0 HD22 ASN B 18 98.434 -14.990 43.631 1.00 0.00 H new ATOM 1131 N TRP B 19 96.173 -14.607 38.498 1.00 0.00 N ATOM 1132 CA TRP B 19 96.399 -13.993 37.161 1.00 0.00 C ATOM 1133 C TRP B 19 97.858 -13.530 37.024 1.00 0.00 C ATOM 1134 O TRP B 19 98.404 -13.499 35.938 1.00 0.00 O ATOM 1135 CB TRP B 19 95.445 -12.810 36.970 1.00 0.00 C ATOM 1136 CG TRP B 19 95.854 -11.667 37.844 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.310 -11.376 39.045 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.874 -10.657 37.598 1.00 0.00 C ATOM 1139 NE1 TRP B 19 95.927 -10.247 39.552 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.901 -9.768 38.696 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.770 -10.429 36.536 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.781 -8.690 38.740 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.662 -9.345 36.579 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.667 -8.477 37.680 1.00 0.00 C ATOM 0 H TRP B 19 95.440 -14.171 39.057 1.00 0.00 H new ATOM 0 HA TRP B 19 96.202 -14.738 36.390 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.447 -12.497 35.926 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.426 -13.113 37.210 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.522 -11.933 39.530 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.692 -9.820 40.448 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.771 -11.092 35.683 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.779 -8.022 39.589 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.347 -9.179 35.761 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.355 -7.645 37.709 1.00 0.00 H new ATOM 1155 N ARG B 20 98.489 -13.166 38.109 1.00 0.00 N ATOM 1156 CA ARG B 20 99.905 -12.701 38.023 1.00 0.00 C ATOM 1157 C ARG B 20 100.788 -13.830 37.493 1.00 0.00 C ATOM 1158 O ARG B 20 101.670 -13.617 36.683 1.00 0.00 O ATOM 1159 CB ARG B 20 100.404 -12.315 39.426 1.00 0.00 C ATOM 1160 CG ARG B 20 99.595 -11.136 39.971 1.00 0.00 C ATOM 1161 CD ARG B 20 100.104 -10.765 41.371 1.00 0.00 C ATOM 1162 NE ARG B 20 99.281 -9.650 41.925 1.00 0.00 N ATOM 1163 CZ ARG B 20 99.336 -9.355 43.200 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.083 -10.058 44.009 1.00 0.00 N ATOM 1165 NH2 ARG B 20 98.638 -8.355 43.667 1.00 0.00 N ATOM 0 H ARG B 20 98.088 -13.170 39.047 1.00 0.00 H new ATOM 0 HA ARG B 20 99.955 -11.842 37.354 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.315 -13.168 40.099 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.461 -12.051 39.384 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.685 -10.280 39.302 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.538 -11.397 40.015 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.050 -11.632 42.030 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.151 -10.467 41.321 1.00 0.00 H new ATOM 0 HE ARG B 20 98.672 -9.114 41.307 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.628 -10.842 43.649 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.122 -9.823 45.001 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.051 -7.805 43.039 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.679 -8.124 44.660 1.00 0.00 H new ATOM 1179 N ALA B 21 100.561 -15.024 37.949 1.00 0.00 N ATOM 1180 CA ALA B 21 101.390 -16.170 37.494 1.00 0.00 C ATOM 1181 C ALA B 21 101.118 -16.452 36.013 1.00 0.00 C ATOM 1182 O ALA B 21 102.033 -16.570 35.219 1.00 0.00 O ATOM 1183 CB ALA B 21 101.046 -17.400 38.350 1.00 0.00 C ATOM 0 H ALA B 21 99.832 -15.259 38.622 1.00 0.00 H new ATOM 0 HA ALA B 21 102.448 -15.935 37.608 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.648 -18.249 38.026 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.257 -17.185 39.398 1.00 0.00 H new ATOM 0 HB3 ALA B 21 99.989 -17.640 38.234 1.00 0.00 H new ATOM 1189 N MET B 22 99.880 -16.564 35.632 1.00 0.00 N ATOM 1190 CA MET B 22 99.583 -16.834 34.201 1.00 0.00 C ATOM 1191 C MET B 22 100.122 -15.693 33.345 1.00 0.00 C ATOM 1192 O MET B 22 100.666 -15.909 32.280 1.00 0.00 O ATOM 1193 CB MET B 22 98.076 -16.957 34.005 1.00 0.00 C ATOM 1194 CG MET B 22 97.579 -18.202 34.742 1.00 0.00 C ATOM 1195 SD MET B 22 95.828 -18.470 34.372 1.00 0.00 S ATOM 1196 CE MET B 22 95.172 -17.061 35.298 1.00 0.00 C ATOM 0 H MET B 22 99.067 -16.481 36.242 1.00 0.00 H new ATOM 0 HA MET B 22 100.061 -17.767 33.901 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.573 -16.068 34.386 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.839 -17.028 32.943 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.162 -19.072 34.440 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.719 -18.081 35.816 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.110 -17.215 35.491 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.703 -16.969 36.245 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.307 -16.149 34.717 1.00 0.00 H new ATOM 1206 N ALA B 23 99.990 -14.477 33.799 1.00 0.00 N ATOM 1207 CA ALA B 23 100.506 -13.341 32.989 1.00 0.00 C ATOM 1208 C ALA B 23 101.984 -13.589 32.678 1.00 0.00 C ATOM 1209 O ALA B 23 102.420 -13.473 31.551 1.00 0.00 O ATOM 1210 CB ALA B 23 100.358 -12.034 33.772 1.00 0.00 C ATOM 0 H ALA B 23 99.553 -14.224 34.685 1.00 0.00 H new ATOM 0 HA ALA B 23 99.938 -13.263 32.062 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.738 -11.206 33.173 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.306 -11.864 34.001 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.925 -12.100 34.701 1.00 0.00 H new ATOM 1216 N SER B 24 102.755 -13.931 33.672 1.00 0.00 N ATOM 1217 CA SER B 24 104.204 -14.194 33.439 1.00 0.00 C ATOM 1218 C SER B 24 104.391 -15.496 32.646 1.00 0.00 C ATOM 1219 O SER B 24 105.288 -15.610 31.834 1.00 0.00 O ATOM 1220 CB SER B 24 104.928 -14.301 34.784 1.00 0.00 C ATOM 1221 OG SER B 24 106.333 -14.203 34.574 1.00 0.00 O ATOM 0 H SER B 24 102.445 -14.040 34.637 1.00 0.00 H new ATOM 0 HA SER B 24 104.624 -13.370 32.862 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.593 -13.509 35.454 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.686 -15.249 35.265 1.00 0.00 H new ATOM 0 HG SER B 24 106.798 -14.270 35.434 1.00 0.00 H new ATOM 1227 N ASP B 25 103.566 -16.480 32.887 1.00 0.00 N ATOM 1228 CA ASP B 25 103.711 -17.778 32.159 1.00 0.00 C ATOM 1229 C ASP B 25 103.558 -17.563 30.649 1.00 0.00 C ATOM 1230 O ASP B 25 104.293 -18.125 29.861 1.00 0.00 O ATOM 1231 CB ASP B 25 102.638 -18.755 32.640 1.00 0.00 C ATOM 1232 CG ASP B 25 102.887 -20.133 32.024 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.686 -20.215 31.106 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.271 -21.084 32.478 1.00 0.00 O ATOM 0 H ASP B 25 102.797 -16.443 33.556 1.00 0.00 H new ATOM 0 HA ASP B 25 104.702 -18.185 32.361 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.655 -18.823 33.728 1.00 0.00 H new ATOM 0 HB3 ASP B 25 101.649 -18.393 32.359 1.00 0.00 H new ATOM 1239 N PHE B 26 102.605 -16.762 30.244 1.00 0.00 N ATOM 1240 CA PHE B 26 102.384 -16.505 28.784 1.00 0.00 C ATOM 1241 C PHE B 26 102.790 -15.072 28.443 1.00 0.00 C ATOM 1242 O PHE B 26 102.665 -14.634 27.319 1.00 0.00 O ATOM 1243 CB PHE B 26 100.904 -16.706 28.468 1.00 0.00 C ATOM 1244 CG PHE B 26 100.550 -18.156 28.690 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.122 -18.584 29.952 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.653 -19.071 27.638 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.799 -19.933 30.160 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.329 -20.417 27.845 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.901 -20.848 29.105 1.00 0.00 C ATOM 0 H PHE B 26 101.964 -16.270 30.866 1.00 0.00 H new ATOM 0 HA PHE B 26 102.988 -17.194 28.194 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.292 -16.067 29.105 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.697 -16.421 27.437 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.041 -17.877 30.764 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.983 -18.739 26.665 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.472 -20.266 31.134 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.410 -21.123 27.032 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.649 -21.886 29.264 1.00 0.00 H new ATOM 1259 N ASN B 27 103.272 -14.341 29.407 1.00 0.00 N ATOM 1260 CA ASN B 27 103.688 -12.937 29.143 1.00 0.00 C ATOM 1261 C ASN B 27 102.515 -12.138 28.563 1.00 0.00 C ATOM 1262 O ASN B 27 102.673 -11.424 27.593 1.00 0.00 O ATOM 1263 CB ASN B 27 104.843 -12.923 28.141 1.00 0.00 C ATOM 1264 CG ASN B 27 105.480 -11.534 28.128 1.00 0.00 C ATOM 1265 OD1 ASN B 27 105.575 -10.887 29.154 1.00 0.00 O ATOM 1266 ND2 ASN B 27 105.912 -11.040 27.003 1.00 0.00 N ATOM 0 H ASN B 27 103.396 -14.656 30.369 1.00 0.00 H new ATOM 0 HA ASN B 27 104.005 -12.484 30.082 1.00 0.00 H new ATOM 0 HB2 ASN B 27 105.585 -13.674 28.413 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.480 -13.179 27.146 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.330 -10.110 26.982 1.00 0.00 H new ATOM 0 HD22 ASN B 27 105.832 -11.583 26.143 1.00 0.00 H new ATOM 1273 N LEU B 28 101.342 -12.248 29.142 1.00 0.00 N ATOM 1274 CA LEU B 28 100.153 -11.490 28.623 1.00 0.00 C ATOM 1275 C LEU B 28 99.738 -10.438 29.654 1.00 0.00 C ATOM 1276 O LEU B 28 99.976 -10.604 30.835 1.00 0.00 O ATOM 1277 CB LEU B 28 98.997 -12.475 28.413 1.00 0.00 C ATOM 1278 CG LEU B 28 99.289 -13.372 27.197 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.340 -14.574 27.217 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.093 -12.587 25.882 1.00 0.00 C ATOM 0 H LEU B 28 101.154 -12.833 29.956 1.00 0.00 H new ATOM 0 HA LEU B 28 100.402 -11.000 27.682 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.863 -13.088 29.304 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.066 -11.929 28.259 1.00 0.00 H new ATOM 0 HG LEU B 28 100.324 -13.711 27.251 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.543 -15.212 26.357 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.492 -15.142 28.135 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.309 -14.224 27.173 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.304 -13.239 25.034 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.064 -12.233 25.820 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.772 -11.735 25.862 1.00 0.00 H new ATOM 1292 N PRO B 29 99.121 -9.357 29.226 1.00 0.00 N ATOM 1293 CA PRO B 29 98.683 -8.285 30.164 1.00 0.00 C ATOM 1294 C PRO B 29 97.669 -8.815 31.192 1.00 0.00 C ATOM 1295 O PRO B 29 96.911 -9.721 30.904 1.00 0.00 O ATOM 1296 CB PRO B 29 98.039 -7.216 29.253 1.00 0.00 C ATOM 1297 CG PRO B 29 97.734 -7.917 27.967 1.00 0.00 C ATOM 1298 CD PRO B 29 98.774 -9.031 27.830 1.00 0.00 C ATOM 0 HA PRO B 29 99.514 -7.890 30.749 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.133 -6.811 29.703 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.717 -6.378 29.092 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.724 -8.327 27.977 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.790 -7.227 27.125 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.368 -9.896 27.306 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.646 -8.698 27.268 1.00 0.00 H new ATOM 1306 N PRO B 30 97.638 -8.260 32.383 1.00 0.00 N ATOM 1307 CA PRO B 30 96.682 -8.709 33.429 1.00 0.00 C ATOM 1308 C PRO B 30 95.268 -8.898 32.860 1.00 0.00 C ATOM 1309 O PRO B 30 94.523 -9.753 33.283 1.00 0.00 O ATOM 1310 CB PRO B 30 96.690 -7.575 34.473 1.00 0.00 C ATOM 1311 CG PRO B 30 97.962 -6.800 34.250 1.00 0.00 C ATOM 1312 CD PRO B 30 98.500 -7.163 32.854 1.00 0.00 C ATOM 0 HA PRO B 30 96.969 -9.674 33.848 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.818 -6.932 34.355 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.654 -7.979 35.485 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.773 -5.729 34.319 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.697 -7.044 35.017 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.454 -6.308 32.179 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.543 -7.475 32.903 1.00 0.00 H new ATOM 1320 N VAL B 31 94.897 -8.082 31.918 1.00 0.00 N ATOM 1321 CA VAL B 31 93.527 -8.181 31.335 1.00 0.00 C ATOM 1322 C VAL B 31 93.232 -9.614 30.889 1.00 0.00 C ATOM 1323 O VAL B 31 92.219 -10.187 31.243 1.00 0.00 O ATOM 1324 CB VAL B 31 93.438 -7.224 30.122 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.258 -7.587 29.202 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.256 -5.788 30.615 1.00 0.00 C ATOM 0 H VAL B 31 95.483 -7.347 31.523 1.00 0.00 H new ATOM 0 HA VAL B 31 92.791 -7.903 32.090 1.00 0.00 H new ATOM 0 HB VAL B 31 94.363 -7.319 29.554 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.226 -6.894 28.361 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.386 -8.604 28.830 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.326 -7.520 29.763 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.193 -5.115 29.760 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.339 -5.718 31.200 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.106 -5.506 31.237 1.00 0.00 H new ATOM 1336 N VAL B 32 94.091 -10.193 30.110 1.00 0.00 N ATOM 1337 CA VAL B 32 93.817 -11.578 29.643 1.00 0.00 C ATOM 1338 C VAL B 32 93.887 -12.535 30.825 1.00 0.00 C ATOM 1339 O VAL B 32 93.008 -13.344 31.037 1.00 0.00 O ATOM 1340 CB VAL B 32 94.836 -11.985 28.580 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.535 -13.411 28.106 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.736 -11.018 27.398 1.00 0.00 C ATOM 0 H VAL B 32 94.961 -9.777 29.778 1.00 0.00 H new ATOM 0 HA VAL B 32 92.820 -11.618 29.204 1.00 0.00 H new ATOM 0 HB VAL B 32 95.842 -11.950 28.998 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.261 -13.703 27.347 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.598 -14.096 28.951 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.532 -13.449 27.682 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.460 -11.301 26.634 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.731 -11.059 26.978 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.946 -10.004 27.739 1.00 0.00 H new ATOM 1352 N ALA B 33 94.923 -12.443 31.604 1.00 0.00 N ATOM 1353 CA ALA B 33 95.043 -13.346 32.778 1.00 0.00 C ATOM 1354 C ALA B 33 93.916 -13.061 33.783 1.00 0.00 C ATOM 1355 O ALA B 33 93.323 -13.972 34.325 1.00 0.00 O ATOM 1356 CB ALA B 33 96.408 -13.123 33.439 1.00 0.00 C ATOM 0 H ALA B 33 95.691 -11.783 31.480 1.00 0.00 H new ATOM 0 HA ALA B 33 94.959 -14.383 32.452 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.506 -13.781 34.302 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.199 -13.343 32.723 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.490 -12.085 33.763 1.00 0.00 H new ATOM 1362 N LYS B 34 93.606 -11.811 34.036 1.00 0.00 N ATOM 1363 CA LYS B 34 92.511 -11.506 35.010 1.00 0.00 C ATOM 1364 C LYS B 34 91.172 -12.051 34.509 1.00 0.00 C ATOM 1365 O LYS B 34 90.337 -12.468 35.287 1.00 0.00 O ATOM 1366 CB LYS B 34 92.399 -9.995 35.229 1.00 0.00 C ATOM 1367 CG LYS B 34 93.603 -9.514 36.046 1.00 0.00 C ATOM 1368 CD LYS B 34 93.659 -7.982 36.048 1.00 0.00 C ATOM 1369 CE LYS B 34 92.482 -7.415 36.846 1.00 0.00 C ATOM 1370 NZ LYS B 34 92.705 -5.963 37.097 1.00 0.00 N ATOM 0 H LYS B 34 94.058 -10.999 33.616 1.00 0.00 H new ATOM 0 HA LYS B 34 92.756 -11.990 35.956 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.365 -9.478 34.270 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.472 -9.759 35.751 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.530 -9.884 37.069 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.523 -9.919 35.625 1.00 0.00 H new ATOM 0 HD2 LYS B 34 94.600 -7.645 36.483 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.629 -7.608 35.025 1.00 0.00 H new ATOM 0 HE2 LYS B 34 91.552 -7.561 36.296 1.00 0.00 H new ATOM 0 HE3 LYS B 34 92.380 -7.947 37.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 91.906 -5.578 37.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.584 -5.835 37.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.781 -5.461 36.189 1.00 0.00 H new ATOM 1384 N GLU B 35 90.950 -12.044 33.225 1.00 0.00 N ATOM 1385 CA GLU B 35 89.654 -12.556 32.697 1.00 0.00 C ATOM 1386 C GLU B 35 89.495 -14.026 33.071 1.00 0.00 C ATOM 1387 O GLU B 35 88.417 -14.479 33.404 1.00 0.00 O ATOM 1388 CB GLU B 35 89.625 -12.419 31.175 1.00 0.00 C ATOM 1389 CG GLU B 35 88.212 -12.715 30.652 1.00 0.00 C ATOM 1390 CD GLU B 35 87.936 -14.223 30.699 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.892 -14.985 30.668 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.775 -14.590 30.768 1.00 0.00 O ATOM 0 H GLU B 35 91.606 -11.708 32.520 1.00 0.00 H new ATOM 0 HA GLU B 35 88.839 -11.976 33.130 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.926 -11.412 30.886 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.341 -13.107 30.725 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.475 -12.184 31.254 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.111 -12.351 29.630 1.00 0.00 H new ATOM 1399 N ILE B 36 90.555 -14.782 32.999 1.00 0.00 N ATOM 1400 CA ILE B 36 90.455 -16.225 33.337 1.00 0.00 C ATOM 1401 C ILE B 36 89.978 -16.352 34.782 1.00 0.00 C ATOM 1402 O ILE B 36 89.153 -17.183 35.109 1.00 0.00 O ATOM 1403 CB ILE B 36 91.836 -16.873 33.182 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.364 -16.602 31.772 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.731 -18.385 33.396 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.691 -17.340 31.574 1.00 0.00 C ATOM 0 H ILE B 36 91.483 -14.462 32.721 1.00 0.00 H new ATOM 0 HA ILE B 36 89.750 -16.726 32.673 1.00 0.00 H new ATOM 0 HB ILE B 36 92.515 -16.451 33.923 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.637 -16.933 31.030 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.505 -15.531 31.624 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.716 -18.838 33.284 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.351 -18.585 34.398 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.050 -18.810 32.658 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.068 -17.148 30.570 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.416 -16.988 32.308 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.535 -18.411 31.704 1.00 0.00 H new ATOM 1418 N VAL B 37 90.478 -15.519 35.646 1.00 0.00 N ATOM 1419 CA VAL B 37 90.046 -15.577 37.070 1.00 0.00 C ATOM 1420 C VAL B 37 88.562 -15.226 37.151 1.00 0.00 C ATOM 1421 O VAL B 37 87.808 -15.840 37.880 1.00 0.00 O ATOM 1422 CB VAL B 37 90.856 -14.560 37.877 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.317 -14.487 39.306 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.327 -14.986 37.905 1.00 0.00 C ATOM 0 H VAL B 37 91.168 -14.799 35.430 1.00 0.00 H new ATOM 0 HA VAL B 37 90.209 -16.577 37.473 1.00 0.00 H new ATOM 0 HB VAL B 37 90.770 -13.579 37.410 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.897 -13.762 39.877 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.271 -14.180 39.285 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.398 -15.467 39.776 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.905 -14.262 38.480 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.412 -15.969 38.369 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.712 -15.031 36.886 1.00 0.00 H new ATOM 1434 N ALA B 38 88.135 -14.261 36.386 1.00 0.00 N ATOM 1435 CA ALA B 38 86.695 -13.881 36.398 1.00 0.00 C ATOM 1436 C ALA B 38 85.871 -15.081 35.932 1.00 0.00 C ATOM 1437 O ALA B 38 84.742 -15.277 36.335 1.00 0.00 O ATOM 1438 CB ALA B 38 86.469 -12.694 35.453 1.00 0.00 C ATOM 0 H ALA B 38 88.722 -13.718 35.752 1.00 0.00 H new ATOM 0 HA ALA B 38 86.391 -13.592 37.404 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.415 -12.417 35.463 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.070 -11.847 35.783 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.761 -12.974 34.441 1.00 0.00 H new ATOM 1444 N SER B 39 86.440 -15.886 35.079 1.00 0.00 N ATOM 1445 CA SER B 39 85.711 -17.080 34.574 1.00 0.00 C ATOM 1446 C SER B 39 85.744 -18.183 35.631 1.00 0.00 C ATOM 1447 O SER B 39 84.837 -18.984 35.732 1.00 0.00 O ATOM 1448 CB SER B 39 86.388 -17.584 33.302 1.00 0.00 C ATOM 1449 OG SER B 39 86.289 -16.589 32.295 1.00 0.00 O ATOM 0 H SER B 39 87.383 -15.767 34.709 1.00 0.00 H new ATOM 0 HA SER B 39 84.677 -16.810 34.360 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.435 -17.815 33.500 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.916 -18.507 32.966 1.00 0.00 H new ATOM 0 HG SER B 39 86.951 -15.886 32.463 1.00 0.00 H new ATOM 1455 N CYS B 40 86.783 -18.237 36.419 1.00 0.00 N ATOM 1456 CA CYS B 40 86.866 -19.298 37.463 1.00 0.00 C ATOM 1457 C CYS B 40 86.033 -18.878 38.675 1.00 0.00 C ATOM 1458 O CYS B 40 86.410 -18.012 39.439 1.00 0.00 O ATOM 1459 CB CYS B 40 88.321 -19.502 37.874 1.00 0.00 C ATOM 1460 SG CYS B 40 88.389 -20.668 39.255 1.00 0.00 S ATOM 0 H CYS B 40 87.575 -17.595 36.386 1.00 0.00 H new ATOM 0 HA CYS B 40 86.477 -20.236 37.065 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.900 -19.882 37.032 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.767 -18.550 38.163 1.00 0.00 H new ATOM 0 HG CYS B 40 89.311 -20.296 40.092 1.00 0.00 H new ATOM 1465 N ASP B 41 84.894 -19.489 38.835 1.00 0.00 N ATOM 1466 CA ASP B 41 83.998 -19.146 39.978 1.00 0.00 C ATOM 1467 C ASP B 41 84.695 -19.403 41.319 1.00 0.00 C ATOM 1468 O ASP B 41 84.430 -18.740 42.305 1.00 0.00 O ATOM 1469 CB ASP B 41 82.736 -20.010 39.895 1.00 0.00 C ATOM 1470 CG ASP B 41 81.977 -19.698 38.603 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.264 -18.674 38.004 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.121 -20.487 38.236 1.00 0.00 O ATOM 0 H ASP B 41 84.540 -20.219 38.217 1.00 0.00 H new ATOM 0 HA ASP B 41 83.744 -18.088 39.918 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.005 -21.066 39.923 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.097 -19.820 40.758 1.00 0.00 H new ATOM 1477 N LYS B 42 85.563 -20.373 41.377 1.00 0.00 N ATOM 1478 CA LYS B 42 86.250 -20.688 42.665 1.00 0.00 C ATOM 1479 C LYS B 42 87.254 -19.591 43.036 1.00 0.00 C ATOM 1480 O LYS B 42 87.382 -19.222 44.185 1.00 0.00 O ATOM 1481 CB LYS B 42 86.998 -22.014 42.524 1.00 0.00 C ATOM 1482 CG LYS B 42 86.009 -23.145 42.233 1.00 0.00 C ATOM 1483 CD LYS B 42 86.750 -24.480 42.342 1.00 0.00 C ATOM 1484 CE LYS B 42 85.861 -25.627 41.853 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.605 -25.676 42.659 1.00 0.00 N ATOM 0 H LYS B 42 85.828 -20.963 40.589 1.00 0.00 H new ATOM 0 HA LYS B 42 85.496 -20.753 43.450 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.730 -21.944 41.719 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.550 -22.229 43.439 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.180 -23.114 42.940 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.583 -23.029 41.236 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.665 -24.444 41.751 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.045 -24.656 43.377 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.622 -25.489 40.799 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.395 -26.574 41.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.120 -26.581 42.492 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.837 -25.589 43.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.982 -24.892 42.379 1.00 0.00 H new ATOM 1499 N CYS B 43 87.973 -19.077 42.082 1.00 0.00 N ATOM 1500 CA CYS B 43 88.973 -18.014 42.391 1.00 0.00 C ATOM 1501 C CYS B 43 88.281 -16.650 42.424 1.00 0.00 C ATOM 1502 O CYS B 43 88.762 -15.718 43.038 1.00 0.00 O ATOM 1503 CB CYS B 43 90.065 -18.022 41.318 1.00 0.00 C ATOM 1504 SG CYS B 43 91.107 -19.492 41.522 1.00 0.00 S ATOM 0 H CYS B 43 87.914 -19.345 41.100 1.00 0.00 H new ATOM 0 HA CYS B 43 89.423 -18.205 43.365 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.614 -18.018 40.326 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.672 -17.120 41.396 1.00 0.00 H new ATOM 0 HG CYS B 43 92.151 -19.394 40.753 1.00 0.00 H new ATOM 1509 N GLN B 44 87.158 -16.525 41.773 1.00 0.00 N ATOM 1510 CA GLN B 44 86.441 -15.217 41.773 1.00 0.00 C ATOM 1511 C GLN B 44 85.675 -15.066 43.090 1.00 0.00 C ATOM 1512 O GLN B 44 86.040 -14.278 43.942 1.00 0.00 O ATOM 1513 CB GLN B 44 85.468 -15.171 40.590 1.00 0.00 C ATOM 1514 CG GLN B 44 84.915 -13.754 40.427 1.00 0.00 C ATOM 1515 CD GLN B 44 83.771 -13.768 39.412 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.917 -12.904 39.429 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.720 -14.720 38.520 1.00 0.00 N ATOM 0 H GLN B 44 86.706 -17.269 41.242 1.00 0.00 H new ATOM 0 HA GLN B 44 87.156 -14.400 41.677 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.977 -15.480 39.677 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.651 -15.874 40.752 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.560 -13.378 41.386 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.704 -13.080 40.093 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.437 -15.445 38.506 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.963 -14.739 37.837 1.00 0.00 H new