USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 866 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: B 22 THR OG1 : rot 180:sc= -0.91 USER MOD Set 1.2: B 25 ASN : amide:sc= -5.18! K(o=-6.1!,f=-3) USER MOD Set 2.1: B 7 THR OG1 : rot -85:sc= 1.24 USER MOD Set 2.2: B 9 THR OG1 : rot 180:sc= -0.0328 USER MOD Set 3.1: A 27 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.0307) USER MOD Set 3.2: B 1 MET CE :methyl -145:sc= -0.183 (180deg=-2.21!) USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= -0.911 USER MOD Set 4.2: A 25 ASN : amide:sc= -5.41! K(o=-6.3!,f=-3) USER MOD Set 5.1: A 7 THR OG1 : rot -90:sc= 1.3 USER MOD Set 5.2: A 9 THR OG1 : rot 180:sc= -0.0389 USER MOD Set 6.1: A 1 MET CE :methyl -153:sc= -0.0801 (180deg=-0.477) USER MOD Set 6.2: B 27 LYS NZ :NH3+ 171:sc= -0.0131 (180deg=0) USER MOD Single : A 0 SER OG : rot -11:sc= 0.836 USER MOD Single : A 2 GLN : amide:sc= -2.86! K(o=-2.9!,f=-0.25) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= -0.0316 (180deg=-0.264) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.011) USER MOD Single : A 31 GLN : amide:sc= -7.77! C(o=-7.8!,f=-4.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -13.1! C(o=-13!,f=-5.9!) USER MOD Single : A 41 GLN : amide:sc= -3.32! C(o=-3.3!,f=-7.8!) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.023 (180deg=-0.259) USER MOD Single : A 49 GLN : amide:sc= -5.67! C(o=-5.7!,f=-4.9!) USER MOD Single : B 0 SER OG : rot -6:sc= 0.637 USER MOD Single : B 2 GLN : amide:sc= -1.31! K(o=-1.3!,f=0) USER MOD Single : B 6 LYS NZ :NH3+ -168:sc= -0.0184 (180deg=-0.216) USER MOD Single : B -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -8.01! C(o=-8!,f=-4.3!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 GLN : amide:sc= -10.8! C(o=-11!,f=-7.7!) USER MOD Single : B 41 GLN : amide:sc= -2.26! C(o=-2.3!,f=-5.9!) USER MOD Single : B 48 LYS NZ :NH3+ 168:sc= -0.0357 (180deg=-0.231) USER MOD Single : B 49 GLN : amide:sc= -6.47! C(o=-6.5!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 3.138 -8.818 -16.630 1.00 0.00 N ATOM 2 CA GLY A -1 3.800 -7.730 -15.859 1.00 0.00 C ATOM 3 C GLY A -1 3.334 -7.673 -14.418 1.00 0.00 C ATOM 4 O GLY A -1 3.223 -8.703 -13.753 1.00 0.00 O ATOM 0 H1 GLY A -1 3.491 -8.814 -17.608 1.00 0.00 H new ATOM 0 H2 GLY A -1 3.351 -9.735 -16.189 1.00 0.00 H new ATOM 0 H3 GLY A -1 2.109 -8.665 -16.632 1.00 0.00 H new ATOM 0 HA2 GLY A -1 4.880 -7.878 -15.883 1.00 0.00 H new ATOM 0 HA3 GLY A -1 3.598 -6.773 -16.341 1.00 0.00 H new ATOM 10 N SER A 0 3.064 -6.463 -13.937 1.00 0.00 N ATOM 11 CA SER A 0 2.609 -6.261 -12.564 1.00 0.00 C ATOM 12 C SER A 0 2.011 -4.863 -12.398 1.00 0.00 C ATOM 13 O SER A 0 1.122 -4.470 -13.153 1.00 0.00 O ATOM 14 CB SER A 0 3.770 -6.461 -11.584 1.00 0.00 C ATOM 15 OG SER A 0 4.283 -7.781 -11.654 1.00 0.00 O ATOM 0 H SER A 0 3.153 -5.604 -14.480 1.00 0.00 H new ATOM 0 HA SER A 0 1.835 -6.997 -12.345 1.00 0.00 H new ATOM 0 HB2 SER A 0 4.564 -5.748 -11.807 1.00 0.00 H new ATOM 0 HB3 SER A 0 3.431 -6.254 -10.569 1.00 0.00 H new ATOM 0 HG SER A 0 3.681 -8.338 -12.191 1.00 0.00 H new ATOM 21 N MET A 1 2.501 -4.117 -11.410 1.00 0.00 N ATOM 22 CA MET A 1 2.010 -2.767 -11.156 1.00 0.00 C ATOM 23 C MET A 1 3.015 -1.966 -10.338 1.00 0.00 C ATOM 24 O MET A 1 3.323 -2.312 -9.196 1.00 0.00 O ATOM 25 CB MET A 1 0.668 -2.820 -10.422 1.00 0.00 C ATOM 26 CG MET A 1 0.674 -3.749 -9.219 1.00 0.00 C ATOM 27 SD MET A 1 -0.824 -3.622 -8.225 1.00 0.00 S ATOM 28 CE MET A 1 -0.602 -2.003 -7.495 1.00 0.00 C ATOM 0 H MET A 1 3.236 -4.425 -10.774 1.00 0.00 H new ATOM 0 HA MET A 1 1.874 -2.271 -12.117 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.402 -1.815 -10.094 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.106 -3.144 -11.118 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.790 -4.777 -9.561 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.538 -3.521 -8.595 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.129 -1.958 -6.542 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.460 -1.820 -7.331 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.001 -1.243 -8.167 1.00 0.00 H new ATOM 38 N GLN A 2 3.522 -0.891 -10.931 1.00 0.00 N ATOM 39 CA GLN A 2 4.495 -0.032 -10.270 1.00 0.00 C ATOM 40 C GLN A 2 3.905 0.595 -9.011 1.00 0.00 C ATOM 41 O GLN A 2 2.816 1.172 -9.040 1.00 0.00 O ATOM 42 CB GLN A 2 4.965 1.059 -11.232 1.00 0.00 C ATOM 43 CG GLN A 2 3.840 1.939 -11.755 1.00 0.00 C ATOM 44 CD GLN A 2 4.308 2.961 -12.779 1.00 0.00 C ATOM 45 OE1 GLN A 2 3.521 3.779 -13.254 1.00 0.00 O ATOM 46 NE2 GLN A 2 5.589 2.917 -13.130 1.00 0.00 N ATOM 0 H GLN A 2 3.273 -0.593 -11.874 1.00 0.00 H new ATOM 0 HA GLN A 2 5.348 -0.643 -9.976 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.699 1.686 -10.726 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.472 0.593 -12.077 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.073 1.309 -12.204 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.375 2.459 -10.918 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.209 2.223 -12.712 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.952 3.577 -13.817 1.00 0.00 H new ATOM 55 N ILE A 3 4.633 0.475 -7.907 1.00 0.00 N ATOM 56 CA ILE A 3 4.193 1.024 -6.631 1.00 0.00 C ATOM 57 C ILE A 3 4.832 2.383 -6.364 1.00 0.00 C ATOM 58 O ILE A 3 6.036 2.561 -6.548 1.00 0.00 O ATOM 59 CB ILE A 3 4.530 0.074 -5.462 1.00 0.00 C ATOM 60 CG1 ILE A 3 6.042 -0.148 -5.366 1.00 0.00 C ATOM 61 CG2 ILE A 3 3.802 -1.252 -5.630 1.00 0.00 C ATOM 62 CD1 ILE A 3 6.454 -1.019 -4.198 1.00 0.00 C ATOM 0 H ILE A 3 5.535 -0.000 -7.871 1.00 0.00 H new ATOM 0 HA ILE A 3 3.111 1.141 -6.696 1.00 0.00 H new ATOM 0 HB ILE A 3 4.195 0.536 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.393 -0.605 -6.291 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.538 0.819 -5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.050 -1.911 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.726 -1.077 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.108 -1.719 -6.566 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.538 -1.133 -4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.134 -0.553 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.987 -1.999 -4.293 1.00 0.00 H new ATOM 74 N PHE A 4 4.022 3.334 -5.912 1.00 0.00 N ATOM 75 CA PHE A 4 4.518 4.667 -5.599 1.00 0.00 C ATOM 76 C PHE A 4 4.984 4.706 -4.150 1.00 0.00 C ATOM 77 O PHE A 4 4.236 4.344 -3.243 1.00 0.00 O ATOM 78 CB PHE A 4 3.430 5.720 -5.838 1.00 0.00 C ATOM 79 CG PHE A 4 3.000 5.839 -7.276 1.00 0.00 C ATOM 80 CD1 PHE A 4 2.524 4.738 -7.972 1.00 0.00 C ATOM 81 CD2 PHE A 4 3.068 7.060 -7.931 1.00 0.00 C ATOM 82 CE1 PHE A 4 2.127 4.851 -9.290 1.00 0.00 C ATOM 83 CE2 PHE A 4 2.670 7.178 -9.250 1.00 0.00 C ATOM 84 CZ PHE A 4 2.200 6.072 -9.930 1.00 0.00 C ATOM 0 H PHE A 4 3.022 3.206 -5.755 1.00 0.00 H new ATOM 0 HA PHE A 4 5.358 4.896 -6.255 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.560 5.474 -5.228 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.795 6.689 -5.497 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.463 3.780 -7.477 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.436 7.928 -7.405 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.760 3.985 -9.820 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.727 8.135 -9.748 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.890 6.162 -10.961 1.00 0.00 H new ATOM 94 N VAL A 5 6.227 5.119 -3.935 1.00 0.00 N ATOM 95 CA VAL A 5 6.786 5.168 -2.588 1.00 0.00 C ATOM 96 C VAL A 5 7.786 6.306 -2.435 1.00 0.00 C ATOM 97 O VAL A 5 8.661 6.489 -3.277 1.00 0.00 O ATOM 98 CB VAL A 5 7.513 3.852 -2.241 1.00 0.00 C ATOM 99 CG1 VAL A 5 7.995 3.868 -0.798 1.00 0.00 C ATOM 100 CG2 VAL A 5 6.628 2.646 -2.508 1.00 0.00 C ATOM 0 H VAL A 5 6.865 5.423 -4.671 1.00 0.00 H new ATOM 0 HA VAL A 5 5.945 5.325 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 5 8.385 3.769 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.505 2.931 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.685 4.700 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.141 3.985 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.169 1.734 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.726 2.715 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.353 2.623 -3.563 1.00 0.00 H new ATOM 110 N LYS A 6 7.672 7.048 -1.341 1.00 0.00 N ATOM 111 CA LYS A 6 8.599 8.136 -1.074 1.00 0.00 C ATOM 112 C LYS A 6 9.738 7.627 -0.203 1.00 0.00 C ATOM 113 O LYS A 6 9.510 7.150 0.909 1.00 0.00 O ATOM 114 CB LYS A 6 7.886 9.305 -0.388 1.00 0.00 C ATOM 115 CG LYS A 6 8.799 10.488 -0.107 1.00 0.00 C ATOM 116 CD LYS A 6 8.043 11.648 0.522 1.00 0.00 C ATOM 117 CE LYS A 6 6.983 12.204 -0.416 1.00 0.00 C ATOM 118 NZ LYS A 6 7.573 12.702 -1.689 1.00 0.00 N ATOM 0 H LYS A 6 6.952 6.917 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 6 9.000 8.498 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.059 9.635 -1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.455 8.957 0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.604 10.176 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.263 10.818 -1.037 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.572 11.316 1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.745 12.439 0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.249 11.428 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.450 13.016 0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.866 13.266 -2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.402 13.294 -1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.864 11.894 -2.276 1.00 0.00 H new ATOM 132 N THR A 7 10.961 7.713 -0.711 1.00 0.00 N ATOM 133 CA THR A 7 12.122 7.239 0.031 1.00 0.00 C ATOM 134 C THR A 7 12.370 8.081 1.277 1.00 0.00 C ATOM 135 O THR A 7 11.474 8.769 1.767 1.00 0.00 O ATOM 136 CB THR A 7 13.391 7.241 -0.841 1.00 0.00 C ATOM 137 OG1 THR A 7 13.648 8.561 -1.333 1.00 0.00 O ATOM 138 CG2 THR A 7 13.248 6.276 -2.008 1.00 0.00 C ATOM 0 H THR A 7 11.174 8.104 -1.629 1.00 0.00 H new ATOM 0 HA THR A 7 11.901 6.215 0.332 1.00 0.00 H new ATOM 0 HB THR A 7 14.229 6.917 -0.224 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.189 8.686 -2.190 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.157 6.295 -2.609 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.085 5.267 -1.628 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.399 6.573 -2.624 1.00 0.00 H new ATOM 146 N LEU A 8 13.594 8.016 1.788 1.00 0.00 N ATOM 147 CA LEU A 8 13.966 8.765 2.980 1.00 0.00 C ATOM 148 C LEU A 8 14.306 10.209 2.630 1.00 0.00 C ATOM 149 O LEU A 8 13.844 11.142 3.286 1.00 0.00 O ATOM 150 CB LEU A 8 15.155 8.096 3.680 1.00 0.00 C ATOM 151 CG LEU A 8 14.905 6.669 4.190 1.00 0.00 C ATOM 152 CD1 LEU A 8 13.715 6.639 5.130 1.00 0.00 C ATOM 153 CD2 LEU A 8 14.678 5.709 3.037 1.00 0.00 C ATOM 0 H LEU A 8 14.346 7.451 1.394 1.00 0.00 H new ATOM 0 HA LEU A 8 13.113 8.769 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.996 8.073 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.454 8.718 4.524 1.00 0.00 H new ATOM 0 HG LEU A 8 15.794 6.350 4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.554 5.620 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.908 7.290 5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.826 6.986 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.504 4.706 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.810 6.030 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.557 5.700 2.393 1.00 0.00 H new ATOM 165 N THR A 9 15.119 10.386 1.592 1.00 0.00 N ATOM 166 CA THR A 9 15.523 11.718 1.158 1.00 0.00 C ATOM 167 C THR A 9 14.380 12.445 0.455 1.00 0.00 C ATOM 168 O THR A 9 14.124 13.619 0.722 1.00 0.00 O ATOM 169 CB THR A 9 16.734 11.654 0.210 1.00 0.00 C ATOM 170 OG1 THR A 9 16.408 10.883 -0.953 1.00 0.00 O ATOM 171 CG2 THR A 9 17.938 11.041 0.909 1.00 0.00 C ATOM 0 H THR A 9 15.510 9.624 1.037 1.00 0.00 H new ATOM 0 HA THR A 9 15.799 12.270 2.056 1.00 0.00 H new ATOM 0 HB THR A 9 16.986 12.672 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 9 17.184 10.849 -1.551 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.781 11.007 0.219 1.00 0.00 H new ATOM 0 HG22 THR A 9 18.203 11.647 1.776 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.694 10.030 1.234 1.00 0.00 H new ATOM 179 N GLY A 10 13.697 11.742 -0.446 1.00 0.00 N ATOM 180 CA GLY A 10 12.593 12.346 -1.170 1.00 0.00 C ATOM 181 C GLY A 10 12.297 11.645 -2.483 1.00 0.00 C ATOM 182 O GLY A 10 11.141 11.547 -2.893 1.00 0.00 O ATOM 0 H GLY A 10 13.888 10.769 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.701 12.327 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.823 13.393 -1.366 1.00 0.00 H new ATOM 186 N LYS A 11 13.350 11.171 -3.147 1.00 0.00 N ATOM 187 CA LYS A 11 13.210 10.487 -4.431 1.00 0.00 C ATOM 188 C LYS A 11 12.121 9.421 -4.383 1.00 0.00 C ATOM 189 O LYS A 11 12.065 8.614 -3.455 1.00 0.00 O ATOM 190 CB LYS A 11 14.540 9.846 -4.833 1.00 0.00 C ATOM 191 CG LYS A 11 14.481 9.104 -6.160 1.00 0.00 C ATOM 192 CD LYS A 11 15.796 8.405 -6.473 1.00 0.00 C ATOM 193 CE LYS A 11 16.944 9.394 -6.596 1.00 0.00 C ATOM 194 NZ LYS A 11 18.233 8.715 -6.904 1.00 0.00 N ATOM 0 H LYS A 11 14.312 11.249 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 11 12.923 11.232 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.304 10.621 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.850 9.152 -4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.676 8.369 -6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.243 9.806 -6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.020 7.683 -5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.698 7.844 -7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.718 10.116 -7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.042 9.954 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.990 9.424 -6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.462 8.044 -6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.148 8.202 -7.805 1.00 0.00 H new ATOM 208 N THR A 12 11.260 9.421 -5.396 1.00 0.00 N ATOM 209 CA THR A 12 10.172 8.453 -5.480 1.00 0.00 C ATOM 210 C THR A 12 10.646 7.150 -6.117 1.00 0.00 C ATOM 211 O THR A 12 11.310 7.162 -7.155 1.00 0.00 O ATOM 212 CB THR A 12 8.993 9.008 -6.302 1.00 0.00 C ATOM 213 OG1 THR A 12 8.538 10.242 -5.734 1.00 0.00 O ATOM 214 CG2 THR A 12 7.844 8.012 -6.346 1.00 0.00 C ATOM 0 H THR A 12 11.295 10.082 -6.172 1.00 0.00 H new ATOM 0 HA THR A 12 9.840 8.259 -4.460 1.00 0.00 H new ATOM 0 HB THR A 12 9.341 9.182 -7.320 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.790 10.589 -6.263 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.024 8.428 -6.932 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.184 7.084 -6.805 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.499 7.810 -5.332 1.00 0.00 H new ATOM 222 N ILE A 13 10.298 6.029 -5.495 1.00 0.00 N ATOM 223 CA ILE A 13 10.684 4.719 -6.011 1.00 0.00 C ATOM 224 C ILE A 13 9.550 4.053 -6.770 1.00 0.00 C ATOM 225 O ILE A 13 8.412 4.009 -6.302 1.00 0.00 O ATOM 226 CB ILE A 13 11.136 3.756 -4.896 1.00 0.00 C ATOM 227 CG1 ILE A 13 10.677 4.250 -3.525 1.00 0.00 C ATOM 228 CG2 ILE A 13 12.641 3.563 -4.928 1.00 0.00 C ATOM 229 CD1 ILE A 13 11.056 3.318 -2.397 1.00 0.00 C ATOM 0 H ILE A 13 9.751 6.000 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 13 11.520 4.913 -6.683 1.00 0.00 H new ATOM 0 HB ILE A 13 10.667 2.789 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.110 5.232 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.594 4.376 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.937 2.880 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 13 12.934 3.147 -5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 13 13.134 4.524 -4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.700 3.728 -1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.601 2.342 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 13 12.140 3.212 -2.362 1.00 0.00 H new ATOM 241 N THR A 14 9.881 3.505 -7.929 1.00 0.00 N ATOM 242 CA THR A 14 8.909 2.801 -8.746 1.00 0.00 C ATOM 243 C THR A 14 9.221 1.310 -8.703 1.00 0.00 C ATOM 244 O THR A 14 10.381 0.916 -8.823 1.00 0.00 O ATOM 245 CB THR A 14 8.930 3.293 -10.204 1.00 0.00 C ATOM 246 OG1 THR A 14 9.250 4.688 -10.244 1.00 0.00 O ATOM 247 CG2 THR A 14 7.577 3.075 -10.859 1.00 0.00 C ATOM 0 H THR A 14 10.820 3.536 -8.325 1.00 0.00 H new ATOM 0 HA THR A 14 7.914 2.996 -8.346 1.00 0.00 H new ATOM 0 HB THR A 14 9.686 2.725 -10.746 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.263 4.994 -11.175 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.610 3.429 -11.889 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.334 2.012 -10.848 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.814 3.627 -10.310 1.00 0.00 H new ATOM 255 N LEU A 15 8.204 0.482 -8.502 1.00 0.00 N ATOM 256 CA LEU A 15 8.426 -0.955 -8.410 1.00 0.00 C ATOM 257 C LEU A 15 7.147 -1.753 -8.672 1.00 0.00 C ATOM 258 O LEU A 15 6.186 -1.688 -7.908 1.00 0.00 O ATOM 259 CB LEU A 15 8.993 -1.270 -7.018 1.00 0.00 C ATOM 260 CG LEU A 15 8.731 -2.684 -6.487 1.00 0.00 C ATOM 261 CD1 LEU A 15 9.326 -3.735 -7.407 1.00 0.00 C ATOM 262 CD2 LEU A 15 9.290 -2.825 -5.079 1.00 0.00 C ATOM 0 H LEU A 15 7.232 0.774 -8.401 1.00 0.00 H new ATOM 0 HA LEU A 15 9.136 -1.253 -9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.070 -1.107 -7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.577 -0.555 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 15 7.653 -2.843 -6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.124 -4.728 -7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.879 -3.647 -8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.403 -3.586 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.099 -3.833 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.364 -2.642 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.808 -2.101 -4.422 1.00 0.00 H new ATOM 274 N GLU A 16 7.155 -2.516 -9.764 1.00 0.00 N ATOM 275 CA GLU A 16 6.012 -3.339 -10.143 1.00 0.00 C ATOM 276 C GLU A 16 5.961 -4.626 -9.322 1.00 0.00 C ATOM 277 O GLU A 16 6.983 -5.277 -9.107 1.00 0.00 O ATOM 278 CB GLU A 16 6.080 -3.675 -11.635 1.00 0.00 C ATOM 279 CG GLU A 16 7.313 -4.478 -12.023 1.00 0.00 C ATOM 280 CD GLU A 16 7.371 -4.781 -13.507 1.00 0.00 C ATOM 281 OE1 GLU A 16 6.413 -5.392 -14.025 1.00 0.00 O ATOM 282 OE2 GLU A 16 8.374 -4.410 -14.151 1.00 0.00 O ATOM 0 H GLU A 16 7.947 -2.580 -10.404 1.00 0.00 H new ATOM 0 HA GLU A 16 5.104 -2.770 -9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.188 -4.237 -11.913 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.065 -2.748 -12.209 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.207 -3.925 -11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.322 -5.414 -11.465 1.00 0.00 H new ATOM 289 N VAL A 17 4.760 -4.989 -8.874 1.00 0.00 N ATOM 290 CA VAL A 17 4.564 -6.201 -8.080 1.00 0.00 C ATOM 291 C VAL A 17 3.139 -6.726 -8.228 1.00 0.00 C ATOM 292 O VAL A 17 2.178 -5.962 -8.174 1.00 0.00 O ATOM 293 CB VAL A 17 4.850 -5.962 -6.585 1.00 0.00 C ATOM 294 CG1 VAL A 17 6.331 -5.754 -6.341 1.00 0.00 C ATOM 295 CG2 VAL A 17 4.056 -4.778 -6.069 1.00 0.00 C ATOM 0 H VAL A 17 3.906 -4.459 -9.048 1.00 0.00 H new ATOM 0 HA VAL A 17 5.271 -6.938 -8.460 1.00 0.00 H new ATOM 0 HB VAL A 17 4.538 -6.852 -6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.505 -5.588 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.881 -6.638 -6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.674 -4.887 -6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.273 -4.627 -5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.332 -3.884 -6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.991 -4.971 -6.197 1.00 0.00 H new ATOM 305 N GLU A 18 3.014 -8.034 -8.416 1.00 0.00 N ATOM 306 CA GLU A 18 1.708 -8.667 -8.578 1.00 0.00 C ATOM 307 C GLU A 18 0.809 -8.397 -7.372 1.00 0.00 C ATOM 308 O GLU A 18 1.269 -8.403 -6.231 1.00 0.00 O ATOM 309 CB GLU A 18 1.876 -10.173 -8.777 1.00 0.00 C ATOM 310 CG GLU A 18 2.781 -10.533 -9.944 1.00 0.00 C ATOM 311 CD GLU A 18 2.919 -12.030 -10.139 1.00 0.00 C ATOM 312 OE1 GLU A 18 2.308 -12.791 -9.360 1.00 0.00 O ATOM 313 OE2 GLU A 18 3.641 -12.442 -11.072 1.00 0.00 O ATOM 0 H GLU A 18 3.802 -8.680 -8.460 1.00 0.00 H new ATOM 0 HA GLU A 18 1.232 -8.237 -9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.282 -10.609 -7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.896 -10.622 -8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.385 -10.087 -10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.768 -10.100 -9.780 1.00 0.00 H new ATOM 320 N PRO A 19 -0.494 -8.161 -7.613 1.00 0.00 N ATOM 321 CA PRO A 19 -1.466 -7.895 -6.544 1.00 0.00 C ATOM 322 C PRO A 19 -1.502 -9.011 -5.512 1.00 0.00 C ATOM 323 O PRO A 19 -1.612 -8.764 -4.311 1.00 0.00 O ATOM 324 CB PRO A 19 -2.812 -7.820 -7.277 1.00 0.00 C ATOM 325 CG PRO A 19 -2.568 -8.416 -8.622 1.00 0.00 C ATOM 326 CD PRO A 19 -1.128 -8.141 -8.939 1.00 0.00 C ATOM 0 HA PRO A 19 -1.216 -6.989 -5.993 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.583 -8.370 -6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.156 -6.789 -7.361 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.769 -9.487 -8.617 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.224 -7.972 -9.371 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.707 -8.899 -9.600 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.999 -7.179 -9.435 1.00 0.00 H new ATOM 334 N SER A 20 -1.416 -10.241 -5.995 1.00 0.00 N ATOM 335 CA SER A 20 -1.447 -11.412 -5.134 1.00 0.00 C ATOM 336 C SER A 20 -0.238 -11.440 -4.202 1.00 0.00 C ATOM 337 O SER A 20 -0.309 -11.982 -3.100 1.00 0.00 O ATOM 338 CB SER A 20 -1.489 -12.677 -5.986 1.00 0.00 C ATOM 339 OG SER A 20 -1.533 -13.840 -5.177 1.00 0.00 O ATOM 0 H SER A 20 -1.323 -10.454 -6.988 1.00 0.00 H new ATOM 0 HA SER A 20 -2.344 -11.364 -4.517 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.363 -12.651 -6.637 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.611 -12.713 -6.631 1.00 0.00 H new ATOM 0 HG SER A 20 -1.561 -14.635 -5.749 1.00 0.00 H new ATOM 345 N ASP A 21 0.867 -10.854 -4.651 1.00 0.00 N ATOM 346 CA ASP A 21 2.088 -10.812 -3.854 1.00 0.00 C ATOM 347 C ASP A 21 1.808 -10.226 -2.470 1.00 0.00 C ATOM 348 O ASP A 21 1.151 -9.193 -2.345 1.00 0.00 O ATOM 349 CB ASP A 21 3.161 -9.990 -4.574 1.00 0.00 C ATOM 350 CG ASP A 21 4.482 -9.971 -3.831 1.00 0.00 C ATOM 351 OD1 ASP A 21 4.517 -9.455 -2.695 1.00 0.00 O ATOM 352 OD2 ASP A 21 5.482 -10.472 -4.386 1.00 0.00 O ATOM 0 H ASP A 21 0.942 -10.402 -5.562 1.00 0.00 H new ATOM 0 HA ASP A 21 2.453 -11.831 -3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.317 -10.399 -5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.805 -8.967 -4.700 1.00 0.00 H new ATOM 357 N THR A 22 2.303 -10.903 -1.439 1.00 0.00 N ATOM 358 CA THR A 22 2.100 -10.468 -0.059 1.00 0.00 C ATOM 359 C THR A 22 2.741 -9.109 0.209 1.00 0.00 C ATOM 360 O THR A 22 3.803 -8.792 -0.323 1.00 0.00 O ATOM 361 CB THR A 22 2.662 -11.493 0.940 1.00 0.00 C ATOM 362 OG1 THR A 22 4.068 -11.663 0.731 1.00 0.00 O ATOM 363 CG2 THR A 22 1.958 -12.832 0.789 1.00 0.00 C ATOM 0 H THR A 22 2.850 -11.759 -1.532 1.00 0.00 H new ATOM 0 HA THR A 22 1.022 -10.382 0.080 1.00 0.00 H new ATOM 0 HB THR A 22 2.489 -11.118 1.949 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.417 -12.316 1.373 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.371 -13.543 1.505 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.892 -12.706 0.977 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.106 -13.209 -0.223 1.00 0.00 H new ATOM 371 N ILE A 23 2.080 -8.314 1.046 1.00 0.00 N ATOM 372 CA ILE A 23 2.571 -6.984 1.400 1.00 0.00 C ATOM 373 C ILE A 23 3.991 -7.048 1.959 1.00 0.00 C ATOM 374 O ILE A 23 4.805 -6.159 1.721 1.00 0.00 O ATOM 375 CB ILE A 23 1.655 -6.305 2.438 1.00 0.00 C ATOM 376 CG1 ILE A 23 0.223 -6.202 1.905 1.00 0.00 C ATOM 377 CG2 ILE A 23 2.192 -4.926 2.796 1.00 0.00 C ATOM 378 CD1 ILE A 23 -0.752 -5.583 2.887 1.00 0.00 C ATOM 0 H ILE A 23 1.200 -8.568 1.494 1.00 0.00 H new ATOM 0 HA ILE A 23 2.571 -6.395 0.483 1.00 0.00 H new ATOM 0 HB ILE A 23 1.642 -6.916 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.228 -5.610 0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.128 -7.199 1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.535 -4.459 3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.193 -5.023 3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.233 -4.307 1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.745 -5.544 2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.787 -6.186 3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.426 -4.573 3.136 1.00 0.00 H new ATOM 390 N GLU A 24 4.279 -8.103 2.713 1.00 0.00 N ATOM 391 CA GLU A 24 5.598 -8.277 3.310 1.00 0.00 C ATOM 392 C GLU A 24 6.680 -8.420 2.240 1.00 0.00 C ATOM 393 O GLU A 24 7.804 -7.950 2.418 1.00 0.00 O ATOM 394 CB GLU A 24 5.606 -9.500 4.230 1.00 0.00 C ATOM 395 CG GLU A 24 5.235 -10.796 3.527 1.00 0.00 C ATOM 396 CD GLU A 24 5.249 -11.994 4.458 1.00 0.00 C ATOM 397 OE1 GLU A 24 5.550 -11.811 5.656 1.00 0.00 O ATOM 398 OE2 GLU A 24 4.961 -13.114 3.987 1.00 0.00 O ATOM 0 H GLU A 24 3.618 -8.850 2.925 1.00 0.00 H new ATOM 0 HA GLU A 24 5.819 -7.385 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.598 -9.606 4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.910 -9.330 5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.243 -10.695 3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.931 -10.971 2.706 1.00 0.00 H new ATOM 405 N ASN A 25 6.339 -9.075 1.134 1.00 0.00 N ATOM 406 CA ASN A 25 7.289 -9.283 0.046 1.00 0.00 C ATOM 407 C ASN A 25 7.551 -7.993 -0.726 1.00 0.00 C ATOM 408 O ASN A 25 8.702 -7.643 -0.986 1.00 0.00 O ATOM 409 CB ASN A 25 6.782 -10.366 -0.909 1.00 0.00 C ATOM 410 CG ASN A 25 6.699 -11.737 -0.260 1.00 0.00 C ATOM 411 OD1 ASN A 25 6.302 -12.711 -0.899 1.00 0.00 O ATOM 412 ND2 ASN A 25 7.073 -11.824 1.013 1.00 0.00 N ATOM 0 H ASN A 25 5.414 -9.470 0.968 1.00 0.00 H new ATOM 0 HA ASN A 25 8.229 -9.608 0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.796 -10.084 -1.278 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.443 -10.419 -1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.037 -12.722 1.495 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.396 -10.993 1.508 1.00 0.00 H new ATOM 419 N VAL A 26 6.482 -7.292 -1.096 1.00 0.00 N ATOM 420 CA VAL A 26 6.615 -6.047 -1.843 1.00 0.00 C ATOM 421 C VAL A 26 7.472 -5.039 -1.084 1.00 0.00 C ATOM 422 O VAL A 26 8.346 -4.396 -1.665 1.00 0.00 O ATOM 423 CB VAL A 26 5.244 -5.423 -2.164 1.00 0.00 C ATOM 424 CG1 VAL A 26 4.435 -6.349 -3.059 1.00 0.00 C ATOM 425 CG2 VAL A 26 4.477 -5.099 -0.893 1.00 0.00 C ATOM 0 H VAL A 26 5.520 -7.564 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 26 7.107 -6.296 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 26 5.415 -4.488 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.469 -5.893 -3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.975 -6.517 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.281 -7.302 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.513 -4.660 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.317 -6.013 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.049 -4.391 -0.293 1.00 0.00 H new ATOM 435 N LYS A 27 7.227 -4.913 0.217 1.00 0.00 N ATOM 436 CA LYS A 27 7.993 -3.992 1.048 1.00 0.00 C ATOM 437 C LYS A 27 9.451 -4.429 1.123 1.00 0.00 C ATOM 438 O LYS A 27 10.361 -3.600 1.110 1.00 0.00 O ATOM 439 CB LYS A 27 7.402 -3.916 2.457 1.00 0.00 C ATOM 440 CG LYS A 27 6.022 -3.283 2.513 1.00 0.00 C ATOM 441 CD LYS A 27 5.521 -3.173 3.944 1.00 0.00 C ATOM 442 CE LYS A 27 4.189 -2.443 4.016 1.00 0.00 C ATOM 443 NZ LYS A 27 3.686 -2.340 5.414 1.00 0.00 N ATOM 0 H LYS A 27 6.507 -5.435 0.716 1.00 0.00 H new ATOM 0 HA LYS A 27 7.942 -3.003 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.346 -4.923 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.078 -3.346 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.056 -2.292 2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.323 -3.878 1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.413 -4.170 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.259 -2.646 4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.300 -1.443 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.455 -2.967 3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.998 -1.562 5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.226 -3.233 5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.482 -2.153 6.056 1.00 0.00 H new ATOM 457 N ALA A 28 9.660 -5.740 1.198 1.00 0.00 N ATOM 458 CA ALA A 28 11.002 -6.302 1.273 1.00 0.00 C ATOM 459 C ALA A 28 11.863 -5.828 0.107 1.00 0.00 C ATOM 460 O ALA A 28 13.055 -5.570 0.269 1.00 0.00 O ATOM 461 CB ALA A 28 10.936 -7.822 1.299 1.00 0.00 C ATOM 0 H ALA A 28 8.913 -6.434 1.208 1.00 0.00 H new ATOM 0 HA ALA A 28 11.464 -5.953 2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.946 -8.229 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.365 -8.147 2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.450 -8.181 0.392 1.00 0.00 H new ATOM 467 N LYS A 29 11.250 -5.716 -1.067 1.00 0.00 N ATOM 468 CA LYS A 29 11.956 -5.271 -2.260 1.00 0.00 C ATOM 469 C LYS A 29 12.378 -3.822 -2.103 1.00 0.00 C ATOM 470 O LYS A 29 13.480 -3.445 -2.494 1.00 0.00 O ATOM 471 CB LYS A 29 11.067 -5.433 -3.494 1.00 0.00 C ATOM 472 CG LYS A 29 10.353 -6.774 -3.556 1.00 0.00 C ATOM 473 CD LYS A 29 11.333 -7.934 -3.469 1.00 0.00 C ATOM 474 CE LYS A 29 10.621 -9.278 -3.483 1.00 0.00 C ATOM 475 NZ LYS A 29 10.024 -9.582 -4.810 1.00 0.00 N ATOM 0 H LYS A 29 10.264 -5.928 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 29 12.847 -5.885 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.325 -4.635 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.677 -5.313 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.634 -6.842 -2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.788 -6.843 -4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.031 -7.884 -4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.922 -7.844 -2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.327 -10.064 -3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.838 -9.281 -2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.608 -10.535 -4.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.283 -8.885 -5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.763 -9.539 -5.541 1.00 0.00 H new ATOM 489 N ILE A 30 11.498 -3.019 -1.513 1.00 0.00 N ATOM 490 CA ILE A 30 11.790 -1.614 -1.287 1.00 0.00 C ATOM 491 C ILE A 30 13.075 -1.475 -0.481 1.00 0.00 C ATOM 492 O ILE A 30 13.872 -0.567 -0.716 1.00 0.00 O ATOM 493 CB ILE A 30 10.640 -0.903 -0.551 1.00 0.00 C ATOM 494 CG1 ILE A 30 9.329 -1.067 -1.329 1.00 0.00 C ATOM 495 CG2 ILE A 30 10.972 0.572 -0.363 1.00 0.00 C ATOM 496 CD1 ILE A 30 8.133 -0.443 -0.643 1.00 0.00 C ATOM 0 H ILE A 30 10.580 -3.319 -1.185 1.00 0.00 H new ATOM 0 HA ILE A 30 11.909 -1.140 -2.261 1.00 0.00 H new ATOM 0 HB ILE A 30 10.515 -1.358 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.444 -0.620 -2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.137 -2.129 -1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.152 1.066 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.885 0.667 0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.116 1.039 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.242 -0.599 -1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.991 -0.906 0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.303 0.626 -0.516 1.00 0.00 H new ATOM 508 N GLN A 31 13.286 -2.406 0.451 1.00 0.00 N ATOM 509 CA GLN A 31 14.493 -2.406 1.262 1.00 0.00 C ATOM 510 C GLN A 31 15.692 -2.527 0.342 1.00 0.00 C ATOM 511 O GLN A 31 16.677 -1.801 0.472 1.00 0.00 O ATOM 512 CB GLN A 31 14.476 -3.570 2.257 1.00 0.00 C ATOM 513 CG GLN A 31 13.292 -3.546 3.208 1.00 0.00 C ATOM 514 CD GLN A 31 13.306 -4.706 4.184 1.00 0.00 C ATOM 515 OE1 GLN A 31 14.244 -4.862 4.967 1.00 0.00 O ATOM 516 NE2 GLN A 31 12.265 -5.528 4.143 1.00 0.00 N ATOM 0 H GLN A 31 12.636 -3.165 0.658 1.00 0.00 H new ATOM 0 HA GLN A 31 14.549 -1.478 1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.467 -4.509 1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.398 -3.552 2.839 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.296 -2.608 3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.367 -3.572 2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.509 -5.361 3.478 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.220 -6.326 4.776 1.00 0.00 H new ATOM 525 N ASP A 32 15.574 -3.438 -0.620 1.00 0.00 N ATOM 526 CA ASP A 32 16.616 -3.647 -1.605 1.00 0.00 C ATOM 527 C ASP A 32 16.720 -2.413 -2.491 1.00 0.00 C ATOM 528 O ASP A 32 17.802 -2.030 -2.936 1.00 0.00 O ATOM 529 CB ASP A 32 16.311 -4.882 -2.453 1.00 0.00 C ATOM 530 CG ASP A 32 16.300 -6.159 -1.636 1.00 0.00 C ATOM 531 OD1 ASP A 32 15.522 -6.234 -0.662 1.00 0.00 O ATOM 532 OD2 ASP A 32 17.068 -7.085 -1.970 1.00 0.00 O ATOM 0 H ASP A 32 14.761 -4.043 -0.733 1.00 0.00 H new ATOM 0 HA ASP A 32 17.565 -3.811 -1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.343 -4.756 -2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.055 -4.968 -3.245 1.00 0.00 H new ATOM 537 N LYS A 33 15.567 -1.796 -2.723 1.00 0.00 N ATOM 538 CA LYS A 33 15.468 -0.594 -3.535 1.00 0.00 C ATOM 539 C LYS A 33 16.176 0.576 -2.861 1.00 0.00 C ATOM 540 O LYS A 33 16.612 1.516 -3.526 1.00 0.00 O ATOM 541 CB LYS A 33 13.994 -0.258 -3.783 1.00 0.00 C ATOM 542 CG LYS A 33 13.295 -1.231 -4.720 1.00 0.00 C ATOM 543 CD LYS A 33 13.913 -1.214 -6.109 1.00 0.00 C ATOM 544 CE LYS A 33 13.190 -2.162 -7.052 1.00 0.00 C ATOM 545 NZ LYS A 33 13.786 -2.152 -8.415 1.00 0.00 N ATOM 0 H LYS A 33 14.673 -2.118 -2.351 1.00 0.00 H new ATOM 0 HA LYS A 33 15.958 -0.776 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.468 -0.245 -2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.925 0.747 -4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.353 -2.238 -4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.238 -0.975 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.878 -0.202 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.964 -1.495 -6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.226 -3.174 -6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.139 -1.881 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.264 -2.811 -9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.729 -1.192 -8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.782 -2.445 -8.360 1.00 0.00 H new ATOM 559 N GLU A 34 16.290 0.511 -1.537 1.00 0.00 N ATOM 560 CA GLU A 34 16.949 1.566 -0.774 1.00 0.00 C ATOM 561 C GLU A 34 17.595 1.003 0.491 1.00 0.00 C ATOM 562 O GLU A 34 18.803 0.773 0.525 1.00 0.00 O ATOM 563 CB GLU A 34 15.946 2.663 -0.407 1.00 0.00 C ATOM 564 CG GLU A 34 16.560 3.815 0.373 1.00 0.00 C ATOM 565 CD GLU A 34 17.665 4.516 -0.393 1.00 0.00 C ATOM 566 OE1 GLU A 34 17.385 5.040 -1.492 1.00 0.00 O ATOM 567 OE2 GLU A 34 18.809 4.541 0.105 1.00 0.00 O ATOM 0 H GLU A 34 15.935 -0.260 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 34 17.733 1.996 -1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.497 3.053 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.141 2.225 0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.781 4.536 0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.959 3.439 1.315 1.00 0.00 H new ATOM 574 N GLY A 35 16.788 0.777 1.526 1.00 0.00 N ATOM 575 CA GLY A 35 17.321 0.237 2.765 1.00 0.00 C ATOM 576 C GLY A 35 16.560 0.697 3.995 1.00 0.00 C ATOM 577 O GLY A 35 17.144 1.281 4.908 1.00 0.00 O ATOM 0 H GLY A 35 15.784 0.956 1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.299 -0.852 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.366 0.531 2.862 1.00 0.00 H new ATOM 581 N ILE A 36 15.258 0.435 4.024 1.00 0.00 N ATOM 582 CA ILE A 36 14.426 0.826 5.152 1.00 0.00 C ATOM 583 C ILE A 36 13.391 -0.248 5.482 1.00 0.00 C ATOM 584 O ILE A 36 12.670 -0.720 4.604 1.00 0.00 O ATOM 585 CB ILE A 36 13.701 2.163 4.889 1.00 0.00 C ATOM 586 CG1 ILE A 36 13.644 2.475 3.389 1.00 0.00 C ATOM 587 CG2 ILE A 36 14.386 3.294 5.639 1.00 0.00 C ATOM 588 CD1 ILE A 36 12.818 1.498 2.584 1.00 0.00 C ATOM 0 H ILE A 36 14.757 -0.047 3.278 1.00 0.00 H new ATOM 0 HA ILE A 36 15.097 0.949 6.002 1.00 0.00 H new ATOM 0 HB ILE A 36 12.678 2.069 5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 36 13.236 3.477 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.659 2.488 2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.863 4.230 5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.367 3.085 6.709 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.420 3.379 5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.830 1.790 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.237 0.497 2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.791 1.501 2.950 1.00 0.00 H new ATOM 600 N PRO A 37 13.315 -0.649 6.766 1.00 0.00 N ATOM 601 CA PRO A 37 12.374 -1.671 7.235 1.00 0.00 C ATOM 602 C PRO A 37 10.981 -1.534 6.620 1.00 0.00 C ATOM 603 O PRO A 37 10.489 -0.424 6.418 1.00 0.00 O ATOM 604 CB PRO A 37 12.318 -1.400 8.734 1.00 0.00 C ATOM 605 CG PRO A 37 13.685 -0.919 9.069 1.00 0.00 C ATOM 606 CD PRO A 37 14.159 -0.141 7.868 1.00 0.00 C ATOM 0 HA PRO A 37 12.693 -2.677 6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.562 -0.652 8.976 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.065 -2.301 9.292 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.670 -0.291 9.960 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.352 -1.755 9.280 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.030 0.932 8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.218 -0.311 7.673 1.00 0.00 H new ATOM 614 N PRO A 38 10.328 -2.671 6.317 1.00 0.00 N ATOM 615 CA PRO A 38 8.985 -2.687 5.723 1.00 0.00 C ATOM 616 C PRO A 38 7.935 -2.039 6.621 1.00 0.00 C ATOM 617 O PRO A 38 7.022 -1.368 6.139 1.00 0.00 O ATOM 618 CB PRO A 38 8.682 -4.181 5.548 1.00 0.00 C ATOM 619 CG PRO A 38 9.609 -4.878 6.482 1.00 0.00 C ATOM 620 CD PRO A 38 10.847 -4.033 6.534 1.00 0.00 C ATOM 0 HA PRO A 38 8.954 -2.118 4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.642 -4.403 5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.847 -4.499 4.519 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.163 -4.980 7.471 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.837 -5.884 6.129 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.357 -4.123 7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.564 -4.319 5.764 1.00 0.00 H new ATOM 628 N ASP A 39 8.068 -2.248 7.927 1.00 0.00 N ATOM 629 CA ASP A 39 7.130 -1.689 8.893 1.00 0.00 C ATOM 630 C ASP A 39 7.077 -0.171 8.780 1.00 0.00 C ATOM 631 O ASP A 39 6.019 0.438 8.944 1.00 0.00 O ATOM 632 CB ASP A 39 7.530 -2.096 10.315 1.00 0.00 C ATOM 633 CG ASP A 39 6.556 -1.594 11.364 1.00 0.00 C ATOM 634 OD1 ASP A 39 6.408 -0.361 11.498 1.00 0.00 O ATOM 635 OD2 ASP A 39 5.941 -2.435 12.051 1.00 0.00 O ATOM 0 H ASP A 39 8.818 -2.802 8.341 1.00 0.00 H new ATOM 0 HA ASP A 39 6.138 -2.085 8.675 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.592 -3.183 10.373 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.525 -1.708 10.533 1.00 0.00 H new ATOM 640 N GLN A 40 8.225 0.435 8.501 1.00 0.00 N ATOM 641 CA GLN A 40 8.315 1.882 8.369 1.00 0.00 C ATOM 642 C GLN A 40 7.422 2.396 7.244 1.00 0.00 C ATOM 643 O GLN A 40 6.715 3.391 7.412 1.00 0.00 O ATOM 644 CB GLN A 40 9.763 2.294 8.117 1.00 0.00 C ATOM 645 CG GLN A 40 10.685 2.022 9.293 1.00 0.00 C ATOM 646 CD GLN A 40 12.152 2.099 8.917 1.00 0.00 C ATOM 647 OE1 GLN A 40 13.030 2.036 9.778 1.00 0.00 O ATOM 648 NE2 GLN A 40 12.426 2.223 7.620 1.00 0.00 N ATOM 0 H GLN A 40 9.108 -0.056 8.362 1.00 0.00 H new ATOM 0 HA GLN A 40 7.969 2.327 9.302 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.137 1.762 7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.794 3.358 7.880 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.479 2.742 10.085 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.469 1.033 9.697 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.667 2.271 6.941 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.395 2.269 7.306 1.00 0.00 H new ATOM 657 N GLN A 41 7.459 1.720 6.099 1.00 0.00 N ATOM 658 CA GLN A 41 6.652 2.120 4.950 1.00 0.00 C ATOM 659 C GLN A 41 5.178 2.212 5.329 1.00 0.00 C ATOM 660 O GLN A 41 4.601 1.261 5.855 1.00 0.00 O ATOM 661 CB GLN A 41 6.830 1.136 3.791 1.00 0.00 C ATOM 662 CG GLN A 41 8.177 1.235 3.085 1.00 0.00 C ATOM 663 CD GLN A 41 9.352 0.903 3.985 1.00 0.00 C ATOM 664 OE1 GLN A 41 9.669 1.644 4.914 1.00 0.00 O ATOM 665 NE2 GLN A 41 10.005 -0.220 3.710 1.00 0.00 N ATOM 0 H GLN A 41 8.038 0.895 5.942 1.00 0.00 H new ATOM 0 HA GLN A 41 6.994 3.104 4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.705 0.121 4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.038 1.305 3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.181 0.560 2.229 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.301 2.245 2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.707 -0.805 2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.804 -0.498 4.280 1.00 0.00 H new ATOM 674 N ARG A 42 4.577 3.368 5.063 1.00 0.00 N ATOM 675 CA ARG A 42 3.177 3.591 5.380 1.00 0.00 C ATOM 676 C ARG A 42 2.270 3.173 4.229 1.00 0.00 C ATOM 677 O ARG A 42 2.445 3.624 3.098 1.00 0.00 O ATOM 678 CB ARG A 42 2.934 5.063 5.713 1.00 0.00 C ATOM 679 CG ARG A 42 3.729 5.561 6.910 1.00 0.00 C ATOM 680 CD ARG A 42 3.458 7.033 7.182 1.00 0.00 C ATOM 681 NE ARG A 42 4.217 7.530 8.326 1.00 0.00 N ATOM 682 CZ ARG A 42 4.157 8.785 8.763 1.00 0.00 C ATOM 683 NH1 ARG A 42 3.374 9.666 8.153 1.00 0.00 N ATOM 684 NH2 ARG A 42 4.877 9.160 9.811 1.00 0.00 N ATOM 0 H ARG A 42 5.042 4.164 4.628 1.00 0.00 H new ATOM 0 HA ARG A 42 2.936 2.977 6.248 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.187 5.669 4.843 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.872 5.211 5.907 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.470 4.973 7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.794 5.413 6.729 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.712 7.617 6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.393 7.177 7.364 1.00 0.00 H new ATOM 0 HE ARG A 42 4.828 6.878 8.818 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.817 9.381 7.348 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.329 10.628 8.490 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.479 8.486 10.284 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.829 10.123 10.144 1.00 0.00 H new ATOM 698 N LEU A 43 1.290 2.325 4.523 1.00 0.00 N ATOM 699 CA LEU A 43 0.351 1.872 3.504 1.00 0.00 C ATOM 700 C LEU A 43 -0.661 2.960 3.178 1.00 0.00 C ATOM 701 O LEU A 43 -1.274 3.540 4.074 1.00 0.00 O ATOM 702 CB LEU A 43 -0.380 0.606 3.952 1.00 0.00 C ATOM 703 CG LEU A 43 0.468 -0.666 3.959 1.00 0.00 C ATOM 704 CD1 LEU A 43 -0.400 -1.879 4.258 1.00 0.00 C ATOM 705 CD2 LEU A 43 1.180 -0.835 2.626 1.00 0.00 C ATOM 0 H LEU A 43 1.126 1.940 5.453 1.00 0.00 H new ATOM 0 HA LEU A 43 0.927 1.644 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.772 0.768 4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.237 0.449 3.297 1.00 0.00 H new ATOM 0 HG LEU A 43 1.220 -0.578 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.218 -2.777 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.869 -1.759 5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.172 -1.971 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.780 -1.745 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.443 -0.904 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.829 0.023 2.449 1.00 0.00 H new ATOM 717 N ILE A 44 -0.835 3.230 1.889 1.00 0.00 N ATOM 718 CA ILE A 44 -1.777 4.248 1.447 1.00 0.00 C ATOM 719 C ILE A 44 -2.465 3.832 0.151 1.00 0.00 C ATOM 720 O ILE A 44 -1.813 3.398 -0.797 1.00 0.00 O ATOM 721 CB ILE A 44 -1.086 5.609 1.250 1.00 0.00 C ATOM 722 CG1 ILE A 44 -0.453 6.068 2.566 1.00 0.00 C ATOM 723 CG2 ILE A 44 -2.084 6.642 0.745 1.00 0.00 C ATOM 724 CD1 ILE A 44 0.289 7.379 2.461 1.00 0.00 C ATOM 0 H ILE A 44 -0.337 2.758 1.134 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.527 4.350 2.231 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.299 5.502 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.234 6.163 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.236 5.298 2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.580 7.599 0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.498 6.313 -0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.890 6.755 1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.709 7.638 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.093 7.285 1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.399 8.162 2.143 1.00 0.00 H new ATOM 736 N PHE A 45 -3.789 3.965 0.128 1.00 0.00 N ATOM 737 CA PHE A 45 -4.580 3.600 -1.043 1.00 0.00 C ATOM 738 C PHE A 45 -5.481 4.758 -1.464 1.00 0.00 C ATOM 739 O PHE A 45 -5.972 5.507 -0.620 1.00 0.00 O ATOM 740 CB PHE A 45 -5.438 2.360 -0.755 1.00 0.00 C ATOM 741 CG PHE A 45 -4.654 1.132 -0.374 1.00 0.00 C ATOM 742 CD1 PHE A 45 -3.887 1.106 0.782 1.00 0.00 C ATOM 743 CD2 PHE A 45 -4.689 0.000 -1.173 1.00 0.00 C ATOM 744 CE1 PHE A 45 -3.171 -0.023 1.131 1.00 0.00 C ATOM 745 CE2 PHE A 45 -3.974 -1.133 -0.827 1.00 0.00 C ATOM 746 CZ PHE A 45 -3.215 -1.144 0.326 1.00 0.00 C ATOM 0 H PHE A 45 -4.337 4.324 0.910 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.890 3.371 -1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.135 2.595 0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.036 2.134 -1.638 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.849 1.979 1.417 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.281 0.002 -2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.577 -0.029 2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.010 -2.008 -1.459 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.657 -2.028 0.598 1.00 0.00 H new ATOM 756 N ALA A 46 -5.696 4.907 -2.770 1.00 0.00 N ATOM 757 CA ALA A 46 -6.543 5.981 -3.280 1.00 0.00 C ATOM 758 C ALA A 46 -7.233 5.577 -4.580 1.00 0.00 C ATOM 759 O ALA A 46 -6.581 5.171 -5.541 1.00 0.00 O ATOM 760 CB ALA A 46 -5.721 7.245 -3.487 1.00 0.00 C ATOM 0 H ALA A 46 -5.298 4.302 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.318 6.178 -2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.364 8.039 -3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.285 7.555 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.925 7.048 -4.205 1.00 0.00 H new ATOM 766 N GLY A 47 -8.558 5.690 -4.600 1.00 0.00 N ATOM 767 CA GLY A 47 -9.321 5.328 -5.782 1.00 0.00 C ATOM 768 C GLY A 47 -9.079 6.259 -6.955 1.00 0.00 C ATOM 769 O GLY A 47 -7.945 6.664 -7.214 1.00 0.00 O ATOM 0 H GLY A 47 -9.118 6.027 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.064 4.310 -6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.383 5.331 -5.537 1.00 0.00 H new ATOM 773 N LYS A 48 -10.153 6.591 -7.667 1.00 0.00 N ATOM 774 CA LYS A 48 -10.072 7.474 -8.827 1.00 0.00 C ATOM 775 C LYS A 48 -9.780 8.906 -8.417 1.00 0.00 C ATOM 776 O LYS A 48 -10.655 9.771 -8.468 1.00 0.00 O ATOM 777 CB LYS A 48 -11.373 7.411 -9.633 1.00 0.00 C ATOM 778 CG LYS A 48 -11.337 8.214 -10.924 1.00 0.00 C ATOM 779 CD LYS A 48 -10.276 7.691 -11.880 1.00 0.00 C ATOM 780 CE LYS A 48 -10.241 8.496 -13.169 1.00 0.00 C ATOM 781 NZ LYS A 48 -9.941 9.933 -12.919 1.00 0.00 N ATOM 0 H LYS A 48 -11.095 6.259 -7.459 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.247 7.129 -9.450 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.592 6.370 -9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.192 7.776 -9.012 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.314 8.173 -11.406 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.138 9.261 -10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.299 7.731 -11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.475 6.644 -12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.487 8.079 -13.837 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.201 8.409 -13.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.693 10.397 -13.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.777 10.396 -12.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.143 10.011 -12.256 1.00 0.00 H new ATOM 795 N GLN A 49 -8.534 9.158 -8.041 1.00 0.00 N ATOM 796 CA GLN A 49 -8.124 10.496 -7.664 1.00 0.00 C ATOM 797 C GLN A 49 -8.219 11.390 -8.887 1.00 0.00 C ATOM 798 O GLN A 49 -7.341 11.364 -9.745 1.00 0.00 O ATOM 799 CB GLN A 49 -6.696 10.488 -7.118 1.00 0.00 C ATOM 800 CG GLN A 49 -6.523 9.641 -5.867 1.00 0.00 C ATOM 801 CD GLN A 49 -7.349 10.143 -4.697 1.00 0.00 C ATOM 802 OE1 GLN A 49 -8.577 10.198 -4.764 1.00 0.00 O ATOM 803 NE2 GLN A 49 -6.675 10.512 -3.613 1.00 0.00 N ATOM 0 H GLN A 49 -7.796 8.456 -7.990 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.777 10.873 -6.877 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.023 10.119 -7.892 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.396 11.512 -6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.804 8.612 -6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.470 9.630 -5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.657 10.450 -3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.176 10.857 -2.794 1.00 0.00 H new ATOM 812 N LEU A 50 -9.309 12.147 -8.967 1.00 0.00 N ATOM 813 CA LEU A 50 -9.564 13.037 -10.099 1.00 0.00 C ATOM 814 C LEU A 50 -8.319 13.829 -10.486 1.00 0.00 C ATOM 815 O LEU A 50 -8.169 14.993 -10.115 1.00 0.00 O ATOM 816 CB LEU A 50 -10.716 13.998 -9.785 1.00 0.00 C ATOM 817 CG LEU A 50 -12.077 13.342 -9.511 1.00 0.00 C ATOM 818 CD1 LEU A 50 -12.404 12.310 -10.582 1.00 0.00 C ATOM 819 CD2 LEU A 50 -12.110 12.714 -8.127 1.00 0.00 C ATOM 0 H LEU A 50 -10.038 12.162 -8.254 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.843 12.410 -10.946 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.440 14.595 -8.916 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.828 14.687 -10.622 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.839 14.120 -9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.372 11.858 -10.368 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.438 12.796 -11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.636 11.537 -10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.085 12.256 -7.958 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.334 11.952 -8.055 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.935 13.483 -7.374 1.00 0.00 H new ATOM 831 N GLU A 51 -7.430 13.180 -11.235 1.00 0.00 N ATOM 832 CA GLU A 51 -6.190 13.807 -11.681 1.00 0.00 C ATOM 833 C GLU A 51 -5.358 14.278 -10.491 1.00 0.00 C ATOM 834 O GLU A 51 -5.522 15.446 -10.079 1.00 0.00 O ATOM 835 CB GLU A 51 -6.493 14.987 -12.610 1.00 0.00 C ATOM 836 CG GLU A 51 -5.247 15.653 -13.173 1.00 0.00 C ATOM 837 CD GLU A 51 -4.426 14.716 -14.038 1.00 0.00 C ATOM 838 OE1 GLU A 51 -4.942 14.269 -15.083 1.00 0.00 O ATOM 839 OE2 GLU A 51 -3.269 14.428 -13.669 1.00 0.00 O ATOM 840 OXT GLU A 51 -4.551 13.473 -9.981 1.00 0.00 O ATOM 0 H GLU A 51 -7.547 12.216 -11.546 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.614 13.062 -12.230 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.113 14.639 -13.436 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.076 15.728 -12.064 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.539 16.523 -13.761 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.631 16.016 -12.351 1.00 0.00 H new TER 847 GLU A 51 ATOM 848 N GLY B -1 -3.067 -8.768 16.677 1.00 0.00 N ATOM 849 CA GLY B -1 -3.732 -7.685 15.902 1.00 0.00 C ATOM 850 C GLY B -1 -3.274 -7.638 14.459 1.00 0.00 C ATOM 851 O GLY B -1 -3.161 -8.673 13.802 1.00 0.00 O ATOM 0 H1 GLY B -1 -3.415 -8.757 17.657 1.00 0.00 H new ATOM 0 H2 GLY B -1 -3.283 -9.688 16.243 1.00 0.00 H new ATOM 0 H3 GLY B -1 -2.038 -8.616 16.673 1.00 0.00 H new ATOM 0 HA2 GLY B -1 -4.812 -7.832 15.932 1.00 0.00 H new ATOM 0 HA3 GLY B -1 -3.527 -6.725 16.376 1.00 0.00 H new ATOM 857 N SER B 0 -3.010 -6.432 13.966 1.00 0.00 N ATOM 858 CA SER B 0 -2.563 -6.242 12.590 1.00 0.00 C ATOM 859 C SER B 0 -1.972 -4.843 12.403 1.00 0.00 C ATOM 860 O SER B 0 -1.047 -4.455 13.119 1.00 0.00 O ATOM 861 CB SER B 0 -3.726 -6.461 11.616 1.00 0.00 C ATOM 862 OG SER B 0 -4.225 -7.784 11.696 1.00 0.00 O ATOM 0 H SER B 0 -3.098 -5.568 14.501 1.00 0.00 H new ATOM 0 HA SER B 0 -1.786 -6.976 12.378 1.00 0.00 H new ATOM 0 HB2 SER B 0 -4.526 -5.755 11.838 1.00 0.00 H new ATOM 0 HB3 SER B 0 -3.394 -6.257 10.598 1.00 0.00 H new ATOM 0 HG SER B 0 -3.654 -8.314 12.291 1.00 0.00 H new ATOM 868 N MET B 1 -2.505 -4.091 11.443 1.00 0.00 N ATOM 869 CA MET B 1 -2.021 -2.742 11.170 1.00 0.00 C ATOM 870 C MET B 1 -3.029 -1.957 10.337 1.00 0.00 C ATOM 871 O MET B 1 -3.328 -2.318 9.199 1.00 0.00 O ATOM 872 CB MET B 1 -0.679 -2.805 10.440 1.00 0.00 C ATOM 873 CG MET B 1 -0.665 -3.805 9.294 1.00 0.00 C ATOM 874 SD MET B 1 0.872 -3.780 8.354 1.00 0.00 S ATOM 875 CE MET B 1 0.722 -2.209 7.510 1.00 0.00 C ATOM 0 H MET B 1 -3.272 -4.393 10.842 1.00 0.00 H new ATOM 0 HA MET B 1 -1.890 -2.228 12.122 1.00 0.00 H new ATOM 0 HB2 MET B 1 -0.437 -1.815 10.053 1.00 0.00 H new ATOM 0 HB3 MET B 1 0.103 -3.068 11.153 1.00 0.00 H new ATOM 0 HG2 MET B 1 -0.824 -4.807 9.692 1.00 0.00 H new ATOM 0 HG3 MET B 1 -1.498 -3.592 8.624 1.00 0.00 H new ATOM 0 HE1 MET B 1 1.165 -2.286 6.517 1.00 0.00 H new ATOM 0 HE2 MET B 1 -0.331 -1.944 7.418 1.00 0.00 H new ATOM 0 HE3 MET B 1 1.241 -1.439 8.080 1.00 0.00 H new ATOM 885 N GLN B 2 -3.548 -0.876 10.915 1.00 0.00 N ATOM 886 CA GLN B 2 -4.523 -0.034 10.234 1.00 0.00 C ATOM 887 C GLN B 2 -3.927 0.575 8.969 1.00 0.00 C ATOM 888 O GLN B 2 -2.833 1.141 8.993 1.00 0.00 O ATOM 889 CB GLN B 2 -5.011 1.074 11.171 1.00 0.00 C ATOM 890 CG GLN B 2 -3.901 1.989 11.666 1.00 0.00 C ATOM 891 CD GLN B 2 -4.383 3.029 12.661 1.00 0.00 C ATOM 892 OE1 GLN B 2 -3.603 3.854 13.136 1.00 0.00 O ATOM 893 NE2 GLN B 2 -5.672 2.996 12.988 1.00 0.00 N ATOM 0 H GLN B 2 -3.307 -0.564 11.856 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.370 -0.657 9.948 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.759 1.673 10.652 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.506 0.620 12.030 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -3.121 1.385 12.130 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.448 2.494 10.813 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -6.286 2.296 12.572 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -6.046 3.671 13.655 1.00 0.00 H new ATOM 902 N ILE B 3 -4.655 0.448 7.867 1.00 0.00 N ATOM 903 CA ILE B 3 -4.208 0.976 6.586 1.00 0.00 C ATOM 904 C ILE B 3 -4.828 2.340 6.303 1.00 0.00 C ATOM 905 O ILE B 3 -6.039 2.525 6.433 1.00 0.00 O ATOM 906 CB ILE B 3 -4.560 0.010 5.434 1.00 0.00 C ATOM 907 CG1 ILE B 3 -6.071 -0.223 5.372 1.00 0.00 C ATOM 908 CG2 ILE B 3 -3.818 -1.307 5.605 1.00 0.00 C ATOM 909 CD1 ILE B 3 -6.504 -1.110 4.224 1.00 0.00 C ATOM 0 H ILE B 3 -5.562 -0.018 7.836 1.00 0.00 H new ATOM 0 HA ILE B 3 -3.125 1.084 6.646 1.00 0.00 H new ATOM 0 HB ILE B 3 -4.247 0.462 4.493 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -6.399 -0.671 6.310 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -6.575 0.740 5.286 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -4.075 -1.979 4.786 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -2.744 -1.123 5.599 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -4.103 -1.765 6.553 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -7.587 -1.230 4.245 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -6.208 -0.653 3.280 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -6.029 -2.087 4.320 1.00 0.00 H new ATOM 921 N PHE B 4 -3.992 3.293 5.902 1.00 0.00 N ATOM 922 CA PHE B 4 -4.463 4.634 5.584 1.00 0.00 C ATOM 923 C PHE B 4 -4.858 4.709 4.115 1.00 0.00 C ATOM 924 O PHE B 4 -4.039 4.460 3.237 1.00 0.00 O ATOM 925 CB PHE B 4 -3.376 5.676 5.877 1.00 0.00 C ATOM 926 CG PHE B 4 -2.979 5.772 7.325 1.00 0.00 C ATOM 927 CD1 PHE B 4 -2.528 4.658 8.017 1.00 0.00 C ATOM 928 CD2 PHE B 4 -3.048 6.985 7.991 1.00 0.00 C ATOM 929 CE1 PHE B 4 -2.156 4.752 9.344 1.00 0.00 C ATOM 930 CE2 PHE B 4 -2.677 7.086 9.319 1.00 0.00 C ATOM 931 CZ PHE B 4 -2.230 5.968 9.996 1.00 0.00 C ATOM 0 H PHE B 4 -2.987 3.160 5.790 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.331 4.850 6.207 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -2.492 5.437 5.286 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -3.727 6.653 5.544 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -2.467 3.705 7.512 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -3.396 7.862 7.466 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -1.808 3.876 9.871 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -2.737 8.038 9.826 1.00 0.00 H new ATOM 0 HZ PHE B 4 -1.939 6.044 11.033 1.00 0.00 H new ATOM 941 N VAL B 5 -6.113 5.046 3.849 1.00 0.00 N ATOM 942 CA VAL B 5 -6.592 5.142 2.476 1.00 0.00 C ATOM 943 C VAL B 5 -7.718 6.161 2.340 1.00 0.00 C ATOM 944 O VAL B 5 -8.691 6.137 3.094 1.00 0.00 O ATOM 945 CB VAL B 5 -7.056 3.765 1.947 1.00 0.00 C ATOM 946 CG1 VAL B 5 -7.645 2.921 3.063 1.00 0.00 C ATOM 947 CG2 VAL B 5 -8.040 3.919 0.794 1.00 0.00 C ATOM 0 H VAL B 5 -6.814 5.256 4.560 1.00 0.00 H new ATOM 0 HA VAL B 5 -5.752 5.483 1.871 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.179 3.244 1.564 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.963 1.958 2.662 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -6.892 2.762 3.835 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -8.504 3.436 3.494 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.348 2.934 0.444 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -8.915 4.473 1.134 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.562 4.461 -0.022 1.00 0.00 H new ATOM 957 N LYS B 6 -7.574 7.053 1.364 1.00 0.00 N ATOM 958 CA LYS B 6 -8.573 8.081 1.110 1.00 0.00 C ATOM 959 C LYS B 6 -9.701 7.524 0.251 1.00 0.00 C ATOM 960 O LYS B 6 -9.458 6.964 -0.818 1.00 0.00 O ATOM 961 CB LYS B 6 -7.926 9.283 0.417 1.00 0.00 C ATOM 962 CG LYS B 6 -8.890 10.429 0.150 1.00 0.00 C ATOM 963 CD LYS B 6 -8.194 11.599 -0.532 1.00 0.00 C ATOM 964 CE LYS B 6 -7.090 12.181 0.338 1.00 0.00 C ATOM 965 NZ LYS B 6 -7.612 12.685 1.637 1.00 0.00 N ATOM 0 H LYS B 6 -6.771 7.083 0.735 1.00 0.00 H new ATOM 0 HA LYS B 6 -8.990 8.406 2.063 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -7.105 9.648 1.034 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -7.494 8.956 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -9.710 10.077 -0.476 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -9.328 10.763 1.090 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -7.773 11.269 -1.482 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -8.925 12.375 -0.760 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -6.334 11.418 0.523 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -6.599 12.995 -0.196 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -6.878 13.251 2.110 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -8.450 13.277 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -7.873 11.880 2.242 1.00 0.00 H new ATOM 979 N THR B 7 -10.934 7.676 0.721 1.00 0.00 N ATOM 980 CA THR B 7 -12.091 7.179 -0.012 1.00 0.00 C ATOM 981 C THR B 7 -12.345 8.002 -1.271 1.00 0.00 C ATOM 982 O THR B 7 -11.440 8.654 -1.794 1.00 0.00 O ATOM 983 CB THR B 7 -13.360 7.186 0.861 1.00 0.00 C ATOM 984 OG1 THR B 7 -13.622 8.513 1.336 1.00 0.00 O ATOM 985 CG2 THR B 7 -13.210 6.239 2.041 1.00 0.00 C ATOM 0 H THR B 7 -11.157 8.138 1.603 1.00 0.00 H new ATOM 0 HA THR B 7 -11.863 6.152 -0.296 1.00 0.00 H new ATOM 0 HB THR B 7 -14.197 6.849 0.249 1.00 0.00 H new ATOM 0 HG1 THR B 7 -13.103 8.677 2.151 1.00 0.00 H new ATOM 0 HG21 THR B 7 -14.118 6.261 2.643 1.00 0.00 H new ATOM 0 HG22 THR B 7 -13.041 5.226 1.675 1.00 0.00 H new ATOM 0 HG23 THR B 7 -12.362 6.550 2.652 1.00 0.00 H new ATOM 993 N LEU B 8 -13.582 7.964 -1.755 1.00 0.00 N ATOM 994 CA LEU B 8 -13.959 8.700 -2.953 1.00 0.00 C ATOM 995 C LEU B 8 -14.283 10.153 -2.619 1.00 0.00 C ATOM 996 O LEU B 8 -13.799 11.073 -3.277 1.00 0.00 O ATOM 997 CB LEU B 8 -15.164 8.036 -3.633 1.00 0.00 C ATOM 998 CG LEU B 8 -14.949 6.584 -4.084 1.00 0.00 C ATOM 999 CD1 LEU B 8 -13.749 6.478 -5.005 1.00 0.00 C ATOM 1000 CD2 LEU B 8 -14.775 5.665 -2.891 1.00 0.00 C ATOM 0 H LEU B 8 -14.341 7.429 -1.333 1.00 0.00 H new ATOM 0 HA LEU B 8 -13.112 8.684 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -16.009 8.063 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -15.442 8.631 -4.503 1.00 0.00 H new ATOM 0 HG LEU B 8 -15.837 6.272 -4.633 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -13.616 5.440 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -13.911 7.099 -5.886 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -12.856 6.818 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -14.624 4.643 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -13.909 5.982 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -15.667 5.708 -2.265 1.00 0.00 H new ATOM 1012 N THR B 9 -15.105 10.349 -1.593 1.00 0.00 N ATOM 1013 CA THR B 9 -15.495 11.689 -1.173 1.00 0.00 C ATOM 1014 C THR B 9 -14.336 12.417 -0.499 1.00 0.00 C ATOM 1015 O THR B 9 -14.077 13.586 -0.785 1.00 0.00 O ATOM 1016 CB THR B 9 -16.691 11.648 -0.204 1.00 0.00 C ATOM 1017 OG1 THR B 9 -16.351 10.892 0.965 1.00 0.00 O ATOM 1018 CG2 THR B 9 -17.910 11.032 -0.875 1.00 0.00 C ATOM 0 H THR B 9 -15.513 9.597 -1.038 1.00 0.00 H new ATOM 0 HA THR B 9 -15.784 12.229 -2.075 1.00 0.00 H new ATOM 0 HB THR B 9 -16.932 12.671 0.084 1.00 0.00 H new ATOM 0 HG1 THR B 9 -17.117 10.873 1.576 1.00 0.00 H new ATOM 0 HG21 THR B 9 -18.742 11.014 -0.171 1.00 0.00 H new ATOM 0 HG22 THR B 9 -18.185 11.626 -1.747 1.00 0.00 H new ATOM 0 HG23 THR B 9 -17.677 10.014 -1.188 1.00 0.00 H new ATOM 1026 N GLY B 10 -13.642 11.722 0.398 1.00 0.00 N ATOM 1027 CA GLY B 10 -12.521 12.327 1.096 1.00 0.00 C ATOM 1028 C GLY B 10 -12.230 11.661 2.427 1.00 0.00 C ATOM 1029 O GLY B 10 -11.076 11.577 2.845 1.00 0.00 O ATOM 0 H GLY B 10 -13.835 10.754 0.653 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -11.634 12.272 0.465 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -12.729 13.384 1.261 1.00 0.00 H new ATOM 1033 N LYS B 11 -13.284 11.201 3.097 1.00 0.00 N ATOM 1034 CA LYS B 11 -13.149 10.551 4.398 1.00 0.00 C ATOM 1035 C LYS B 11 -12.079 9.466 4.382 1.00 0.00 C ATOM 1036 O LYS B 11 -12.069 8.598 3.510 1.00 0.00 O ATOM 1037 CB LYS B 11 -14.482 9.937 4.825 1.00 0.00 C ATOM 1038 CG LYS B 11 -14.408 9.184 6.146 1.00 0.00 C ATOM 1039 CD LYS B 11 -15.709 8.461 6.461 1.00 0.00 C ATOM 1040 CE LYS B 11 -16.872 9.431 6.588 1.00 0.00 C ATOM 1041 NZ LYS B 11 -18.145 8.734 6.917 1.00 0.00 N ATOM 0 H LYS B 11 -14.244 11.267 2.759 1.00 0.00 H new ATOM 0 HA LYS B 11 -12.848 11.318 5.111 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -15.227 10.728 4.908 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -14.825 9.256 4.046 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -13.592 8.462 6.107 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -14.177 9.883 6.950 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -15.923 7.737 5.675 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -15.599 7.901 7.389 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -16.649 10.165 7.363 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -16.990 9.980 5.654 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -18.913 9.431 6.995 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -18.372 8.052 6.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -18.042 8.231 7.821 1.00 0.00 H new ATOM 1055 N THR B 12 -11.193 9.512 5.371 1.00 0.00 N ATOM 1056 CA THR B 12 -10.130 8.524 5.498 1.00 0.00 C ATOM 1057 C THR B 12 -10.672 7.261 6.152 1.00 0.00 C ATOM 1058 O THR B 12 -11.573 7.330 6.988 1.00 0.00 O ATOM 1059 CB THR B 12 -8.964 9.056 6.344 1.00 0.00 C ATOM 1060 OG1 THR B 12 -8.503 10.305 5.815 1.00 0.00 O ATOM 1061 CG2 THR B 12 -7.814 8.061 6.372 1.00 0.00 C ATOM 0 H THR B 12 -11.191 10.227 6.099 1.00 0.00 H new ATOM 0 HA THR B 12 -9.763 8.305 4.495 1.00 0.00 H new ATOM 0 HB THR B 12 -9.324 9.201 7.363 1.00 0.00 H new ATOM 0 HG1 THR B 12 -7.761 10.638 6.362 1.00 0.00 H new ATOM 0 HG21 THR B 12 -7.001 8.462 6.978 1.00 0.00 H new ATOM 0 HG22 THR B 12 -8.157 7.120 6.802 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.458 7.887 5.356 1.00 0.00 H new ATOM 1069 N ILE B 13 -10.136 6.109 5.773 1.00 0.00 N ATOM 1070 CA ILE B 13 -10.599 4.853 6.342 1.00 0.00 C ATOM 1071 C ILE B 13 -9.454 3.990 6.858 1.00 0.00 C ATOM 1072 O ILE B 13 -8.528 3.651 6.122 1.00 0.00 O ATOM 1073 CB ILE B 13 -11.416 4.044 5.321 1.00 0.00 C ATOM 1074 CG1 ILE B 13 -10.663 3.943 3.994 1.00 0.00 C ATOM 1075 CG2 ILE B 13 -12.779 4.685 5.123 1.00 0.00 C ATOM 1076 CD1 ILE B 13 -11.340 3.053 2.975 1.00 0.00 C ATOM 0 H ILE B 13 -9.390 6.019 5.083 1.00 0.00 H new ATOM 0 HA ILE B 13 -11.233 5.123 7.186 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.561 3.034 5.704 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -10.552 4.942 3.573 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -9.659 3.563 4.184 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -13.352 4.106 4.398 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -13.313 4.706 6.073 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -12.652 5.703 4.755 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -10.747 3.031 2.060 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -11.427 2.043 3.375 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -12.334 3.443 2.754 1.00 0.00 H new ATOM 1088 N THR B 14 -9.553 3.618 8.130 1.00 0.00 N ATOM 1089 CA THR B 14 -8.559 2.766 8.767 1.00 0.00 C ATOM 1090 C THR B 14 -8.974 1.309 8.663 1.00 0.00 C ATOM 1091 O THR B 14 -10.165 0.995 8.672 1.00 0.00 O ATOM 1092 CB THR B 14 -8.349 3.130 10.248 1.00 0.00 C ATOM 1093 OG1 THR B 14 -9.588 3.543 10.835 1.00 0.00 O ATOM 1094 CG2 THR B 14 -7.306 4.225 10.396 1.00 0.00 C ATOM 0 H THR B 14 -10.319 3.897 8.743 1.00 0.00 H new ATOM 0 HA THR B 14 -7.617 2.924 8.243 1.00 0.00 H new ATOM 0 HB THR B 14 -7.987 2.244 10.769 1.00 0.00 H new ATOM 0 HG1 THR B 14 -9.444 3.771 11.777 1.00 0.00 H new ATOM 0 HG21 THR B 14 -7.176 4.464 11.452 1.00 0.00 H new ATOM 0 HG22 THR B 14 -6.358 3.882 9.982 1.00 0.00 H new ATOM 0 HG23 THR B 14 -7.635 5.116 9.860 1.00 0.00 H new ATOM 1102 N LEU B 15 -7.998 0.421 8.548 1.00 0.00 N ATOM 1103 CA LEU B 15 -8.292 -0.998 8.424 1.00 0.00 C ATOM 1104 C LEU B 15 -7.043 -1.838 8.696 1.00 0.00 C ATOM 1105 O LEU B 15 -6.069 -1.788 7.947 1.00 0.00 O ATOM 1106 CB LEU B 15 -8.839 -1.253 7.012 1.00 0.00 C ATOM 1107 CG LEU B 15 -9.329 -2.668 6.708 1.00 0.00 C ATOM 1108 CD1 LEU B 15 -10.038 -2.690 5.365 1.00 0.00 C ATOM 1109 CD2 LEU B 15 -8.174 -3.651 6.697 1.00 0.00 C ATOM 0 H LEU B 15 -7.005 0.655 8.538 1.00 0.00 H new ATOM 0 HA LEU B 15 -9.038 -1.291 9.163 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.665 -0.563 6.838 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.057 -1.003 6.295 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.025 -2.966 7.492 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.385 -3.701 5.153 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -10.891 -2.012 5.393 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -9.347 -2.373 4.584 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.549 -4.651 6.478 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -7.454 -3.358 5.932 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -7.687 -3.651 7.672 1.00 0.00 H new ATOM 1121 N GLU B 16 -7.086 -2.613 9.776 1.00 0.00 N ATOM 1122 CA GLU B 16 -5.967 -3.468 10.157 1.00 0.00 C ATOM 1123 C GLU B 16 -5.913 -4.737 9.307 1.00 0.00 C ATOM 1124 O GLU B 16 -6.937 -5.363 9.039 1.00 0.00 O ATOM 1125 CB GLU B 16 -6.062 -3.833 11.640 1.00 0.00 C ATOM 1126 CG GLU B 16 -7.369 -4.507 12.021 1.00 0.00 C ATOM 1127 CD GLU B 16 -7.431 -4.872 13.491 1.00 0.00 C ATOM 1128 OE1 GLU B 16 -7.279 -3.964 14.335 1.00 0.00 O ATOM 1129 OE2 GLU B 16 -7.634 -6.064 13.799 1.00 0.00 O ATOM 0 H GLU B 16 -7.887 -2.666 10.405 1.00 0.00 H new ATOM 0 HA GLU B 16 -5.048 -2.909 9.981 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -5.234 -4.495 11.896 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -5.943 -2.928 12.236 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -8.199 -3.843 11.780 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -7.497 -5.408 11.421 1.00 0.00 H new ATOM 1136 N VAL B 17 -4.700 -5.110 8.901 1.00 0.00 N ATOM 1137 CA VAL B 17 -4.481 -6.306 8.090 1.00 0.00 C ATOM 1138 C VAL B 17 -3.050 -6.806 8.233 1.00 0.00 C ATOM 1139 O VAL B 17 -2.100 -6.029 8.159 1.00 0.00 O ATOM 1140 CB VAL B 17 -4.764 -6.057 6.596 1.00 0.00 C ATOM 1141 CG1 VAL B 17 -6.241 -6.191 6.292 1.00 0.00 C ATOM 1142 CG2 VAL B 17 -4.268 -4.685 6.183 1.00 0.00 C ATOM 0 H VAL B 17 -3.848 -4.596 9.123 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.180 -7.057 8.460 1.00 0.00 H new ATOM 0 HB VAL B 17 -4.227 -6.813 6.023 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -6.412 -6.010 5.231 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -6.575 -7.197 6.547 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.801 -5.463 6.879 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -4.476 -4.526 5.125 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.777 -3.922 6.772 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -3.194 -4.619 6.355 1.00 0.00 H new ATOM 1152 N GLU B 18 -2.905 -8.108 8.439 1.00 0.00 N ATOM 1153 CA GLU B 18 -1.592 -8.718 8.596 1.00 0.00 C ATOM 1154 C GLU B 18 -0.722 -8.479 7.363 1.00 0.00 C ATOM 1155 O GLU B 18 -1.197 -8.575 6.233 1.00 0.00 O ATOM 1156 CB GLU B 18 -1.739 -10.220 8.846 1.00 0.00 C ATOM 1157 CG GLU B 18 -2.611 -10.551 10.046 1.00 0.00 C ATOM 1158 CD GLU B 18 -2.764 -12.043 10.267 1.00 0.00 C ATOM 1159 OE1 GLU B 18 -2.187 -12.824 9.479 1.00 0.00 O ATOM 1160 OE2 GLU B 18 -3.461 -12.432 11.226 1.00 0.00 O ATOM 0 H GLU B 18 -3.684 -8.764 8.501 1.00 0.00 H new ATOM 0 HA GLU B 18 -1.104 -8.254 9.453 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -2.163 -10.689 7.958 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.750 -10.654 8.994 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -2.180 -10.098 10.939 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -3.596 -10.106 9.907 1.00 0.00 H new ATOM 1167 N PRO B 19 0.570 -8.164 7.566 1.00 0.00 N ATOM 1168 CA PRO B 19 1.512 -7.916 6.469 1.00 0.00 C ATOM 1169 C PRO B 19 1.522 -9.051 5.455 1.00 0.00 C ATOM 1170 O PRO B 19 1.618 -8.824 4.249 1.00 0.00 O ATOM 1171 CB PRO B 19 2.879 -7.833 7.167 1.00 0.00 C ATOM 1172 CG PRO B 19 2.653 -8.340 8.552 1.00 0.00 C ATOM 1173 CD PRO B 19 1.222 -8.029 8.875 1.00 0.00 C ATOM 0 HA PRO B 19 1.247 -7.018 5.910 1.00 0.00 H new ATOM 0 HB2 PRO B 19 3.623 -8.435 6.645 1.00 0.00 H new ATOM 0 HB3 PRO B 19 3.251 -6.809 7.180 1.00 0.00 H new ATOM 0 HG2 PRO B 19 2.843 -9.412 8.611 1.00 0.00 H new ATOM 0 HG3 PRO B 19 3.327 -7.857 9.260 1.00 0.00 H new ATOM 0 HD2 PRO B 19 0.810 -8.723 9.608 1.00 0.00 H new ATOM 0 HD3 PRO B 19 1.106 -7.026 9.286 1.00 0.00 H new ATOM 1181 N SER B 20 1.430 -10.271 5.962 1.00 0.00 N ATOM 1182 CA SER B 20 1.434 -11.458 5.121 1.00 0.00 C ATOM 1183 C SER B 20 0.214 -11.488 4.205 1.00 0.00 C ATOM 1184 O SER B 20 0.270 -12.035 3.104 1.00 0.00 O ATOM 1185 CB SER B 20 1.472 -12.708 5.994 1.00 0.00 C ATOM 1186 OG SER B 20 1.492 -13.886 5.206 1.00 0.00 O ATOM 0 H SER B 20 1.351 -10.465 6.960 1.00 0.00 H new ATOM 0 HA SER B 20 2.323 -11.431 4.491 1.00 0.00 H new ATOM 0 HB2 SER B 20 2.354 -12.681 6.634 1.00 0.00 H new ATOM 0 HB3 SER B 20 0.602 -12.722 6.651 1.00 0.00 H new ATOM 0 HG SER B 20 1.518 -14.671 5.792 1.00 0.00 H new ATOM 1192 N ASP B 21 -0.885 -10.898 4.664 1.00 0.00 N ATOM 1193 CA ASP B 21 -2.115 -10.860 3.879 1.00 0.00 C ATOM 1194 C ASP B 21 -1.848 -10.276 2.493 1.00 0.00 C ATOM 1195 O ASP B 21 -1.201 -9.238 2.359 1.00 0.00 O ATOM 1196 CB ASP B 21 -3.181 -10.036 4.607 1.00 0.00 C ATOM 1197 CG ASP B 21 -4.507 -10.013 3.874 1.00 0.00 C ATOM 1198 OD1 ASP B 21 -4.549 -9.496 2.739 1.00 0.00 O ATOM 1199 OD2 ASP B 21 -5.504 -10.514 4.435 1.00 0.00 O ATOM 0 H ASP B 21 -0.950 -10.440 5.573 1.00 0.00 H new ATOM 0 HA ASP B 21 -2.481 -11.879 3.758 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -3.330 -10.445 5.606 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -2.822 -9.014 4.731 1.00 0.00 H new ATOM 1204 N THR B 22 -2.343 -10.961 1.466 1.00 0.00 N ATOM 1205 CA THR B 22 -2.150 -10.527 0.085 1.00 0.00 C ATOM 1206 C THR B 22 -2.792 -9.169 -0.180 1.00 0.00 C ATOM 1207 O THR B 22 -3.854 -8.854 0.355 1.00 0.00 O ATOM 1208 CB THR B 22 -2.722 -11.554 -0.909 1.00 0.00 C ATOM 1209 OG1 THR B 22 -4.123 -11.735 -0.678 1.00 0.00 O ATOM 1210 CG2 THR B 22 -2.004 -12.887 -0.775 1.00 0.00 C ATOM 0 H THR B 22 -2.882 -11.821 1.564 1.00 0.00 H new ATOM 0 HA THR B 22 -1.073 -10.441 -0.062 1.00 0.00 H new ATOM 0 HB THR B 22 -2.570 -11.174 -1.919 1.00 0.00 H new ATOM 0 HG1 THR B 22 -4.478 -12.389 -1.316 1.00 0.00 H new ATOM 0 HG21 THR B 22 -2.423 -13.599 -1.486 1.00 0.00 H new ATOM 0 HG22 THR B 22 -0.942 -12.751 -0.981 1.00 0.00 H new ATOM 0 HG23 THR B 22 -2.131 -13.268 0.238 1.00 0.00 H new ATOM 1218 N ILE B 23 -2.133 -8.371 -1.017 1.00 0.00 N ATOM 1219 CA ILE B 23 -2.624 -7.042 -1.368 1.00 0.00 C ATOM 1220 C ILE B 23 -4.047 -7.108 -1.921 1.00 0.00 C ATOM 1221 O ILE B 23 -4.858 -6.213 -1.687 1.00 0.00 O ATOM 1222 CB ILE B 23 -1.712 -6.364 -2.411 1.00 0.00 C ATOM 1223 CG1 ILE B 23 -0.277 -6.267 -1.884 1.00 0.00 C ATOM 1224 CG2 ILE B 23 -2.245 -4.983 -2.764 1.00 0.00 C ATOM 1225 CD1 ILE B 23 0.696 -5.656 -2.873 1.00 0.00 C ATOM 0 H ILE B 23 -1.253 -8.624 -1.466 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.620 -6.451 -0.452 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.707 -6.973 -3.315 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.274 -5.672 -0.971 1.00 0.00 H new ATOM 0 HG13 ILE B 23 0.070 -7.265 -1.616 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -1.590 -4.518 -3.501 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.249 -5.075 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -2.278 -4.365 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.691 -5.620 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE B 23 0.724 -6.263 -3.778 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.374 -4.645 -3.123 1.00 0.00 H new ATOM 1237 N GLU B 24 -4.340 -8.169 -2.662 1.00 0.00 N ATOM 1238 CA GLU B 24 -5.662 -8.348 -3.251 1.00 0.00 C ATOM 1239 C GLU B 24 -6.737 -8.483 -2.174 1.00 0.00 C ATOM 1240 O GLU B 24 -7.860 -8.008 -2.345 1.00 0.00 O ATOM 1241 CB GLU B 24 -5.676 -9.577 -4.163 1.00 0.00 C ATOM 1242 CG GLU B 24 -5.325 -10.872 -3.446 1.00 0.00 C ATOM 1243 CD GLU B 24 -5.346 -12.076 -4.368 1.00 0.00 C ATOM 1244 OE1 GLU B 24 -5.637 -11.900 -5.571 1.00 0.00 O ATOM 1245 OE2 GLU B 24 -5.071 -13.196 -3.888 1.00 0.00 O ATOM 0 H GLU B 24 -3.680 -8.919 -2.870 1.00 0.00 H new ATOM 0 HA GLU B 24 -5.886 -7.461 -3.843 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -6.665 -9.676 -4.610 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -4.971 -9.421 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -4.335 -10.779 -3.000 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -6.029 -11.033 -2.629 1.00 0.00 H new ATOM 1252 N ASN B 25 -6.391 -9.138 -1.069 1.00 0.00 N ATOM 1253 CA ASN B 25 -7.334 -9.339 0.027 1.00 0.00 C ATOM 1254 C ASN B 25 -7.587 -8.046 0.794 1.00 0.00 C ATOM 1255 O ASN B 25 -8.736 -7.688 1.053 1.00 0.00 O ATOM 1256 CB ASN B 25 -6.822 -10.419 0.982 1.00 0.00 C ATOM 1257 CG ASN B 25 -6.747 -11.793 0.338 1.00 0.00 C ATOM 1258 OD1 ASN B 25 -6.346 -12.765 0.978 1.00 0.00 O ATOM 1259 ND2 ASN B 25 -7.133 -11.885 -0.931 1.00 0.00 N ATOM 0 H ASN B 25 -5.466 -9.538 -0.909 1.00 0.00 H new ATOM 0 HA ASN B 25 -8.279 -9.664 -0.410 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -5.832 -10.138 1.342 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -7.477 -10.467 1.852 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -7.103 -12.785 -1.409 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -7.459 -11.055 -1.426 1.00 0.00 H new ATOM 1266 N VAL B 26 -6.514 -7.348 1.160 1.00 0.00 N ATOM 1267 CA VAL B 26 -6.641 -6.100 1.902 1.00 0.00 C ATOM 1268 C VAL B 26 -7.500 -5.095 1.141 1.00 0.00 C ATOM 1269 O VAL B 26 -8.368 -4.443 1.723 1.00 0.00 O ATOM 1270 CB VAL B 26 -5.266 -5.476 2.214 1.00 0.00 C ATOM 1271 CG1 VAL B 26 -4.454 -6.395 3.112 1.00 0.00 C ATOM 1272 CG2 VAL B 26 -4.505 -5.163 0.936 1.00 0.00 C ATOM 0 H VAL B 26 -5.554 -7.625 0.956 1.00 0.00 H new ATOM 0 HA VAL B 26 -7.128 -6.343 2.846 1.00 0.00 H new ATOM 0 HB VAL B 26 -5.433 -4.537 2.742 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.487 -5.938 3.321 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -4.990 -6.556 4.048 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -4.302 -7.352 2.612 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -3.539 -4.724 1.186 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -4.350 -6.082 0.370 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.079 -4.458 0.334 1.00 0.00 H new ATOM 1282 N LYS B 27 -7.268 -4.983 -0.164 1.00 0.00 N ATOM 1283 CA LYS B 27 -8.037 -4.070 -0.998 1.00 0.00 C ATOM 1284 C LYS B 27 -9.497 -4.504 -1.055 1.00 0.00 C ATOM 1285 O LYS B 27 -10.405 -3.673 -1.044 1.00 0.00 O ATOM 1286 CB LYS B 27 -7.457 -4.005 -2.412 1.00 0.00 C ATOM 1287 CG LYS B 27 -6.085 -3.357 -2.484 1.00 0.00 C ATOM 1288 CD LYS B 27 -5.592 -3.259 -3.919 1.00 0.00 C ATOM 1289 CE LYS B 27 -4.267 -2.521 -4.008 1.00 0.00 C ATOM 1290 NZ LYS B 27 -3.773 -2.429 -5.409 1.00 0.00 N ATOM 0 H LYS B 27 -6.554 -5.513 -0.664 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.979 -3.076 -0.553 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -7.392 -5.016 -2.815 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -8.144 -3.451 -3.051 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.128 -2.361 -2.044 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.376 -3.936 -1.893 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -5.480 -4.260 -4.334 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -6.337 -2.744 -4.526 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -4.383 -1.518 -3.598 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -3.525 -3.033 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -2.952 -1.792 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -3.493 -3.374 -5.741 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.528 -2.057 -6.020 1.00 0.00 H new ATOM 1304 N ALA B 28 -9.711 -5.816 -1.111 1.00 0.00 N ATOM 1305 CA ALA B 28 -11.056 -6.374 -1.164 1.00 0.00 C ATOM 1306 C ALA B 28 -11.897 -5.877 0.006 1.00 0.00 C ATOM 1307 O ALA B 28 -13.092 -5.617 -0.140 1.00 0.00 O ATOM 1308 CB ALA B 28 -10.998 -7.894 -1.169 1.00 0.00 C ATOM 0 H ALA B 28 -8.966 -6.513 -1.121 1.00 0.00 H new ATOM 0 HA ALA B 28 -11.528 -6.039 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -12.010 -8.297 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.438 -8.234 -2.040 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -10.504 -8.242 -0.262 1.00 0.00 H new ATOM 1314 N LYS B 29 -11.261 -5.739 1.165 1.00 0.00 N ATOM 1315 CA LYS B 29 -11.939 -5.263 2.362 1.00 0.00 C ATOM 1316 C LYS B 29 -12.395 -3.833 2.151 1.00 0.00 C ATOM 1317 O LYS B 29 -13.516 -3.469 2.496 1.00 0.00 O ATOM 1318 CB LYS B 29 -10.997 -5.325 3.563 1.00 0.00 C ATOM 1319 CG LYS B 29 -10.127 -6.568 3.601 1.00 0.00 C ATOM 1320 CD LYS B 29 -10.943 -7.824 3.848 1.00 0.00 C ATOM 1321 CE LYS B 29 -10.051 -9.051 3.941 1.00 0.00 C ATOM 1322 NZ LYS B 29 -10.795 -10.247 4.418 1.00 0.00 N ATOM 0 H LYS B 29 -10.272 -5.952 1.299 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.803 -5.899 2.556 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.355 -4.444 3.554 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.588 -5.279 4.478 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -9.590 -6.664 2.657 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -9.377 -6.462 4.385 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -11.513 -7.715 4.771 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.665 -7.956 3.042 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.619 -9.260 2.962 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -9.222 -8.846 4.618 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.149 -11.061 4.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.186 -10.058 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.570 -10.459 3.758 1.00 0.00 H new ATOM 1336 N ILE B 30 -11.509 -3.032 1.568 1.00 0.00 N ATOM 1337 CA ILE B 30 -11.802 -1.637 1.288 1.00 0.00 C ATOM 1338 C ILE B 30 -13.097 -1.522 0.492 1.00 0.00 C ATOM 1339 O ILE B 30 -13.887 -0.601 0.703 1.00 0.00 O ATOM 1340 CB ILE B 30 -10.653 -0.972 0.510 1.00 0.00 C ATOM 1341 CG1 ILE B 30 -9.349 -1.070 1.307 1.00 0.00 C ATOM 1342 CG2 ILE B 30 -10.988 0.483 0.206 1.00 0.00 C ATOM 1343 CD1 ILE B 30 -8.152 -0.474 0.598 1.00 0.00 C ATOM 0 H ILE B 30 -10.577 -3.331 1.280 1.00 0.00 H new ATOM 0 HA ILE B 30 -11.915 -1.120 2.241 1.00 0.00 H new ATOM 0 HB ILE B 30 -10.521 -1.497 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -9.481 -0.565 2.264 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -9.145 -2.118 1.525 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -10.165 0.938 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -11.896 0.529 -0.395 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -11.143 1.023 1.140 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -7.267 -0.582 1.225 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -7.993 -0.994 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -8.333 0.583 0.404 1.00 0.00 H new ATOM 1355 N GLN B 31 -13.321 -2.482 -0.405 1.00 0.00 N ATOM 1356 CA GLN B 31 -14.537 -2.503 -1.204 1.00 0.00 C ATOM 1357 C GLN B 31 -15.732 -2.591 -0.273 1.00 0.00 C ATOM 1358 O GLN B 31 -16.709 -1.857 -0.415 1.00 0.00 O ATOM 1359 CB GLN B 31 -14.532 -3.695 -2.163 1.00 0.00 C ATOM 1360 CG GLN B 31 -13.359 -3.698 -3.128 1.00 0.00 C ATOM 1361 CD GLN B 31 -13.389 -4.878 -4.079 1.00 0.00 C ATOM 1362 OE1 GLN B 31 -14.342 -5.056 -4.837 1.00 0.00 O ATOM 1363 NE2 GLN B 31 -12.341 -5.694 -4.044 1.00 0.00 N ATOM 0 H GLN B 31 -12.677 -3.250 -0.593 1.00 0.00 H new ATOM 0 HA GLN B 31 -14.594 -1.591 -1.798 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -14.515 -4.617 -1.582 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -15.461 -3.695 -2.734 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -13.364 -2.772 -3.703 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -12.428 -3.716 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -11.572 -5.509 -3.400 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -12.305 -6.505 -4.661 1.00 0.00 H new ATOM 1372 N ASP B 32 -15.624 -3.484 0.704 1.00 0.00 N ATOM 1373 CA ASP B 32 -16.669 -3.660 1.693 1.00 0.00 C ATOM 1374 C ASP B 32 -16.750 -2.414 2.564 1.00 0.00 C ATOM 1375 O ASP B 32 -17.822 -2.015 3.018 1.00 0.00 O ATOM 1376 CB ASP B 32 -16.385 -4.889 2.557 1.00 0.00 C ATOM 1377 CG ASP B 32 -16.322 -6.166 1.742 1.00 0.00 C ATOM 1378 OD1 ASP B 32 -17.312 -6.478 1.047 1.00 0.00 O ATOM 1379 OD2 ASP B 32 -15.284 -6.858 1.801 1.00 0.00 O ATOM 0 H ASP B 32 -14.818 -4.097 0.829 1.00 0.00 H new ATOM 0 HA ASP B 32 -17.622 -3.812 1.185 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -15.440 -4.750 3.083 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -17.161 -4.984 3.316 1.00 0.00 H new ATOM 1384 N LYS B 33 -15.587 -1.807 2.776 1.00 0.00 N ATOM 1385 CA LYS B 33 -15.466 -0.597 3.573 1.00 0.00 C ATOM 1386 C LYS B 33 -16.184 0.573 2.910 1.00 0.00 C ATOM 1387 O LYS B 33 -16.600 1.517 3.581 1.00 0.00 O ATOM 1388 CB LYS B 33 -13.986 -0.265 3.787 1.00 0.00 C ATOM 1389 CG LYS B 33 -13.275 -1.220 4.733 1.00 0.00 C ATOM 1390 CD LYS B 33 -13.879 -1.179 6.128 1.00 0.00 C ATOM 1391 CE LYS B 33 -13.139 -2.101 7.082 1.00 0.00 C ATOM 1392 NZ LYS B 33 -13.726 -2.076 8.449 1.00 0.00 N ATOM 0 H LYS B 33 -14.701 -2.143 2.398 1.00 0.00 H new ATOM 0 HA LYS B 33 -15.938 -0.771 4.540 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -13.477 -0.277 2.823 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -13.903 0.749 4.179 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -13.335 -2.235 4.340 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -12.218 -0.961 4.786 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -13.848 -0.158 6.509 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -14.928 -1.470 6.080 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -13.165 -3.120 6.695 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -12.091 -1.806 7.132 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -13.192 -2.719 9.068 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -13.678 -1.109 8.830 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -14.719 -2.383 8.406 1.00 0.00 H new ATOM 1406 N GLU B 34 -16.328 0.507 1.589 1.00 0.00 N ATOM 1407 CA GLU B 34 -16.998 1.568 0.844 1.00 0.00 C ATOM 1408 C GLU B 34 -17.632 1.031 -0.437 1.00 0.00 C ATOM 1409 O GLU B 34 -18.857 0.988 -0.560 1.00 0.00 O ATOM 1410 CB GLU B 34 -16.005 2.683 0.505 1.00 0.00 C ATOM 1411 CG GLU B 34 -16.623 3.838 -0.268 1.00 0.00 C ATOM 1412 CD GLU B 34 -17.738 4.522 0.498 1.00 0.00 C ATOM 1413 OE1 GLU B 34 -17.469 5.040 1.602 1.00 0.00 O ATOM 1414 OE2 GLU B 34 -18.880 4.541 -0.008 1.00 0.00 O ATOM 0 H GLU B 34 -15.991 -0.266 1.015 1.00 0.00 H new ATOM 0 HA GLU B 34 -17.792 1.970 1.474 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -15.573 3.066 1.429 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -15.186 2.263 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -15.849 4.568 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -17.013 3.468 -1.217 1.00 0.00 H new ATOM 1421 N GLY B 35 -16.797 0.621 -1.389 1.00 0.00 N ATOM 1422 CA GLY B 35 -17.310 0.095 -2.642 1.00 0.00 C ATOM 1423 C GLY B 35 -16.510 0.559 -3.843 1.00 0.00 C ATOM 1424 O GLY B 35 -17.063 1.145 -4.774 1.00 0.00 O ATOM 0 H GLY B 35 -15.780 0.643 -1.316 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -17.302 -0.994 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -18.349 0.402 -2.762 1.00 0.00 H new ATOM 1428 N ILE B 36 -15.205 0.307 -3.821 1.00 0.00 N ATOM 1429 CA ILE B 36 -14.334 0.714 -4.916 1.00 0.00 C ATOM 1430 C ILE B 36 -13.394 -0.417 -5.326 1.00 0.00 C ATOM 1431 O ILE B 36 -12.774 -1.052 -4.476 1.00 0.00 O ATOM 1432 CB ILE B 36 -13.478 1.943 -4.544 1.00 0.00 C ATOM 1433 CG1 ILE B 36 -13.890 2.516 -3.186 1.00 0.00 C ATOM 1434 CG2 ILE B 36 -13.586 3.006 -5.620 1.00 0.00 C ATOM 1435 CD1 ILE B 36 -13.435 1.682 -2.009 1.00 0.00 C ATOM 0 H ILE B 36 -14.729 -0.176 -3.059 1.00 0.00 H new ATOM 0 HA ILE B 36 -14.991 0.971 -5.747 1.00 0.00 H new ATOM 0 HB ILE B 36 -12.440 1.619 -4.471 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -13.481 3.521 -3.087 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -14.976 2.609 -3.155 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -12.977 3.867 -5.344 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -13.233 2.601 -6.568 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -14.626 3.316 -5.723 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -13.764 2.151 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.865 0.683 -2.083 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -12.347 1.610 -2.013 1.00 0.00 H new ATOM 1447 N PRO B 37 -13.272 -0.676 -6.641 1.00 0.00 N ATOM 1448 CA PRO B 37 -12.394 -1.731 -7.157 1.00 0.00 C ATOM 1449 C PRO B 37 -10.978 -1.627 -6.593 1.00 0.00 C ATOM 1450 O PRO B 37 -10.437 -0.530 -6.454 1.00 0.00 O ATOM 1451 CB PRO B 37 -12.389 -1.482 -8.666 1.00 0.00 C ATOM 1452 CG PRO B 37 -13.683 -0.801 -8.939 1.00 0.00 C ATOM 1453 CD PRO B 37 -13.974 0.038 -7.724 1.00 0.00 C ATOM 0 HA PRO B 37 -12.741 -2.726 -6.879 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -11.544 -0.861 -8.962 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -12.308 -2.416 -9.222 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -13.617 -0.182 -9.834 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -14.477 -1.527 -9.111 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -13.603 1.056 -7.840 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -15.044 0.109 -7.531 1.00 0.00 H new ATOM 1461 N PRO B 38 -10.361 -2.772 -6.255 1.00 0.00 N ATOM 1462 CA PRO B 38 -9.003 -2.810 -5.696 1.00 0.00 C ATOM 1463 C PRO B 38 -7.970 -2.170 -6.617 1.00 0.00 C ATOM 1464 O PRO B 38 -7.019 -1.539 -6.155 1.00 0.00 O ATOM 1465 CB PRO B 38 -8.715 -4.309 -5.532 1.00 0.00 C ATOM 1466 CG PRO B 38 -9.719 -4.999 -6.391 1.00 0.00 C ATOM 1467 CD PRO B 38 -10.934 -4.120 -6.387 1.00 0.00 C ATOM 0 HA PRO B 38 -8.940 -2.247 -4.765 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -7.699 -4.551 -5.843 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -8.811 -4.616 -4.491 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -9.339 -5.136 -7.403 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -9.952 -5.990 -6.001 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -11.512 -4.225 -7.305 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -11.603 -4.358 -5.560 1.00 0.00 H new ATOM 1475 N ASP B 39 -8.159 -2.343 -7.920 1.00 0.00 N ATOM 1476 CA ASP B 39 -7.242 -1.793 -8.909 1.00 0.00 C ATOM 1477 C ASP B 39 -7.198 -0.271 -8.830 1.00 0.00 C ATOM 1478 O ASP B 39 -6.147 0.338 -9.030 1.00 0.00 O ATOM 1479 CB ASP B 39 -7.657 -2.233 -10.315 1.00 0.00 C ATOM 1480 CG ASP B 39 -6.703 -1.741 -11.387 1.00 0.00 C ATOM 1481 OD1 ASP B 39 -6.572 -0.509 -11.550 1.00 0.00 O ATOM 1482 OD2 ASP B 39 -6.084 -2.589 -12.065 1.00 0.00 O ATOM 0 H ASP B 39 -8.942 -2.862 -8.316 1.00 0.00 H new ATOM 0 HA ASP B 39 -6.244 -2.174 -8.694 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -7.707 -3.321 -10.351 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -8.659 -1.860 -10.527 1.00 0.00 H new ATOM 1487 N GLN B 40 -8.345 0.340 -8.552 1.00 0.00 N ATOM 1488 CA GLN B 40 -8.428 1.789 -8.466 1.00 0.00 C ATOM 1489 C GLN B 40 -7.570 2.338 -7.328 1.00 0.00 C ATOM 1490 O GLN B 40 -6.887 3.349 -7.495 1.00 0.00 O ATOM 1491 CB GLN B 40 -9.885 2.224 -8.315 1.00 0.00 C ATOM 1492 CG GLN B 40 -10.732 1.875 -9.531 1.00 0.00 C ATOM 1493 CD GLN B 40 -12.185 2.290 -9.395 1.00 0.00 C ATOM 1494 OE1 GLN B 40 -12.975 2.127 -10.324 1.00 0.00 O ATOM 1495 NE2 GLN B 40 -12.550 2.820 -8.236 1.00 0.00 N ATOM 0 H GLN B 40 -9.226 -0.146 -8.383 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.033 2.205 -9.393 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.312 1.749 -7.432 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.923 3.300 -8.148 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -10.306 2.356 -10.411 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -10.684 0.799 -9.701 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -11.864 2.938 -7.491 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.517 3.110 -8.090 1.00 0.00 H new ATOM 1504 N GLN B 41 -7.596 1.669 -6.177 1.00 0.00 N ATOM 1505 CA GLN B 41 -6.802 2.107 -5.029 1.00 0.00 C ATOM 1506 C GLN B 41 -5.326 2.204 -5.406 1.00 0.00 C ATOM 1507 O GLN B 41 -4.742 1.250 -5.918 1.00 0.00 O ATOM 1508 CB GLN B 41 -6.972 1.143 -3.850 1.00 0.00 C ATOM 1509 CG GLN B 41 -8.315 1.249 -3.142 1.00 0.00 C ATOM 1510 CD GLN B 41 -9.490 0.893 -4.031 1.00 0.00 C ATOM 1511 OE1 GLN B 41 -9.811 1.610 -4.978 1.00 0.00 O ATOM 1512 NE2 GLN B 41 -10.140 -0.224 -3.728 1.00 0.00 N ATOM 0 H GLN B 41 -8.152 0.830 -6.014 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.159 3.093 -4.730 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.844 0.122 -4.209 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -6.178 1.329 -3.127 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -8.313 0.591 -2.273 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -8.443 2.266 -2.771 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -9.840 -0.789 -2.934 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -10.939 -0.517 -4.290 1.00 0.00 H new ATOM 1521 N ARG B 42 -4.729 3.367 -5.155 1.00 0.00 N ATOM 1522 CA ARG B 42 -3.328 3.589 -5.476 1.00 0.00 C ATOM 1523 C ARG B 42 -2.416 3.120 -4.350 1.00 0.00 C ATOM 1524 O ARG B 42 -2.586 3.514 -3.200 1.00 0.00 O ATOM 1525 CB ARG B 42 -3.074 5.066 -5.771 1.00 0.00 C ATOM 1526 CG ARG B 42 -3.838 5.581 -6.980 1.00 0.00 C ATOM 1527 CD ARG B 42 -3.548 7.049 -7.243 1.00 0.00 C ATOM 1528 NE ARG B 42 -4.286 7.551 -8.397 1.00 0.00 N ATOM 1529 CZ ARG B 42 -4.205 8.804 -8.837 1.00 0.00 C ATOM 1530 NH1 ARG B 42 -3.418 9.677 -8.223 1.00 0.00 N ATOM 1531 NH2 ARG B 42 -4.913 9.184 -9.892 1.00 0.00 N ATOM 0 H ARG B 42 -5.197 4.168 -4.730 1.00 0.00 H new ATOM 0 HA ARG B 42 -3.098 3.002 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -3.351 5.656 -4.897 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -2.007 5.218 -5.933 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.569 4.994 -7.858 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.908 5.444 -6.820 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -3.810 7.634 -6.362 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -2.479 7.184 -7.409 1.00 0.00 H new ATOM 0 HE ARG B 42 -4.899 6.905 -8.895 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -2.872 9.389 -7.411 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -3.358 10.637 -8.563 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -5.520 8.516 -10.366 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -4.851 10.145 -10.229 1.00 0.00 H new ATOM 1545 N LEU B 43 -1.446 2.282 -4.692 1.00 0.00 N ATOM 1546 CA LEU B 43 -0.505 1.763 -3.709 1.00 0.00 C ATOM 1547 C LEU B 43 0.560 2.806 -3.380 1.00 0.00 C ATOM 1548 O LEU B 43 1.200 3.354 -4.276 1.00 0.00 O ATOM 1549 CB LEU B 43 0.145 0.485 -4.242 1.00 0.00 C ATOM 1550 CG LEU B 43 0.308 -0.636 -3.216 1.00 0.00 C ATOM 1551 CD1 LEU B 43 -1.022 -0.930 -2.539 1.00 0.00 C ATOM 1552 CD2 LEU B 43 0.856 -1.889 -3.881 1.00 0.00 C ATOM 0 H LEU B 43 -1.291 1.947 -5.643 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.046 1.531 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -0.453 0.111 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.127 0.735 -4.643 1.00 0.00 H new ATOM 0 HG LEU B 43 1.019 -0.311 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -0.891 -1.730 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.378 -0.033 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -1.752 -1.237 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU B 43 0.966 -2.678 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.168 -2.218 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU B 43 1.827 -1.670 -4.324 1.00 0.00 H new ATOM 1564 N ILE B 44 0.743 3.083 -2.088 1.00 0.00 N ATOM 1565 CA ILE B 44 1.726 4.071 -1.652 1.00 0.00 C ATOM 1566 C ILE B 44 2.403 3.656 -0.347 1.00 0.00 C ATOM 1567 O ILE B 44 1.752 3.163 0.573 1.00 0.00 O ATOM 1568 CB ILE B 44 1.085 5.459 -1.469 1.00 0.00 C ATOM 1569 CG1 ILE B 44 0.461 5.930 -2.784 1.00 0.00 C ATOM 1570 CG2 ILE B 44 2.121 6.462 -0.979 1.00 0.00 C ATOM 1571 CD1 ILE B 44 -0.249 7.259 -2.678 1.00 0.00 C ATOM 0 H ILE B 44 0.225 2.639 -1.330 1.00 0.00 H new ATOM 0 HA ILE B 44 2.479 4.126 -2.438 1.00 0.00 H new ATOM 0 HB ILE B 44 0.298 5.385 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE B 44 1.242 6.005 -3.540 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -0.247 5.177 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.652 7.438 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.526 6.129 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.928 6.537 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -0.666 7.527 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -1.053 7.184 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.459 8.026 -2.362 1.00 0.00 H new ATOM 1583 N PHE B 45 3.717 3.863 -0.281 1.00 0.00 N ATOM 1584 CA PHE B 45 4.498 3.516 0.904 1.00 0.00 C ATOM 1585 C PHE B 45 5.392 4.686 1.317 1.00 0.00 C ATOM 1586 O PHE B 45 5.845 5.457 0.470 1.00 0.00 O ATOM 1587 CB PHE B 45 5.369 2.279 0.644 1.00 0.00 C ATOM 1588 CG PHE B 45 4.603 1.039 0.266 1.00 0.00 C ATOM 1589 CD1 PHE B 45 3.862 0.988 -0.903 1.00 0.00 C ATOM 1590 CD2 PHE B 45 4.634 -0.080 1.083 1.00 0.00 C ATOM 1591 CE1 PHE B 45 3.165 -0.153 -1.250 1.00 0.00 C ATOM 1592 CE2 PHE B 45 3.938 -1.224 0.741 1.00 0.00 C ATOM 1593 CZ PHE B 45 3.203 -1.260 -0.427 1.00 0.00 C ATOM 0 H PHE B 45 4.265 4.271 -1.038 1.00 0.00 H new ATOM 0 HA PHE B 45 3.798 3.293 1.709 1.00 0.00 H new ATOM 0 HB2 PHE B 45 6.076 2.510 -0.153 1.00 0.00 H new ATOM 0 HB3 PHE B 45 5.955 2.069 1.539 1.00 0.00 H new ATOM 0 HD1 PHE B 45 3.829 1.851 -1.551 1.00 0.00 H new ATOM 0 HD2 PHE B 45 5.209 -0.058 1.997 1.00 0.00 H new ATOM 0 HE1 PHE B 45 2.591 -0.179 -2.164 1.00 0.00 H new ATOM 0 HE2 PHE B 45 3.969 -2.089 1.387 1.00 0.00 H new ATOM 0 HZ PHE B 45 2.659 -2.153 -0.696 1.00 0.00 H new ATOM 1603 N ALA B 46 5.648 4.814 2.618 1.00 0.00 N ATOM 1604 CA ALA B 46 6.496 5.893 3.123 1.00 0.00 C ATOM 1605 C ALA B 46 7.195 5.488 4.416 1.00 0.00 C ATOM 1606 O ALA B 46 6.550 5.097 5.388 1.00 0.00 O ATOM 1607 CB ALA B 46 5.673 7.154 3.338 1.00 0.00 C ATOM 0 H ALA B 46 5.284 4.189 3.337 1.00 0.00 H new ATOM 0 HA ALA B 46 7.264 6.095 2.376 1.00 0.00 H new ATOM 0 HB1 ALA B 46 6.317 7.949 3.714 1.00 0.00 H new ATOM 0 HB2 ALA B 46 5.228 7.464 2.392 1.00 0.00 H new ATOM 0 HB3 ALA B 46 4.883 6.954 4.062 1.00 0.00 H new ATOM 1613 N GLY B 47 8.523 5.581 4.419 1.00 0.00 N ATOM 1614 CA GLY B 47 9.297 5.215 5.592 1.00 0.00 C ATOM 1615 C GLY B 47 9.072 6.140 6.774 1.00 0.00 C ATOM 1616 O GLY B 47 7.947 6.566 7.036 1.00 0.00 O ATOM 0 H GLY B 47 9.078 5.905 3.626 1.00 0.00 H new ATOM 0 HA2 GLY B 47 9.042 4.196 5.883 1.00 0.00 H new ATOM 0 HA3 GLY B 47 10.356 5.217 5.335 1.00 0.00 H new ATOM 1620 N LYS B 48 10.151 6.443 7.490 1.00 0.00 N ATOM 1621 CA LYS B 48 10.086 7.316 8.659 1.00 0.00 C ATOM 1622 C LYS B 48 9.843 8.761 8.263 1.00 0.00 C ATOM 1623 O LYS B 48 10.747 9.596 8.329 1.00 0.00 O ATOM 1624 CB LYS B 48 11.377 7.204 9.477 1.00 0.00 C ATOM 1625 CG LYS B 48 11.375 8.034 10.752 1.00 0.00 C ATOM 1626 CD LYS B 48 10.280 7.590 11.710 1.00 0.00 C ATOM 1627 CE LYS B 48 10.285 8.418 12.985 1.00 0.00 C ATOM 1628 NZ LYS B 48 10.056 9.864 12.711 1.00 0.00 N ATOM 0 H LYS B 48 11.086 6.095 7.280 1.00 0.00 H new ATOM 0 HA LYS B 48 9.244 6.990 9.270 1.00 0.00 H new ATOM 0 HB2 LYS B 48 11.541 6.158 9.737 1.00 0.00 H new ATOM 0 HB3 LYS B 48 12.217 7.514 8.855 1.00 0.00 H new ATOM 0 HG2 LYS B 48 12.344 7.949 11.243 1.00 0.00 H new ATOM 0 HG3 LYS B 48 11.235 9.086 10.502 1.00 0.00 H new ATOM 0 HD2 LYS B 48 9.310 7.679 11.221 1.00 0.00 H new ATOM 0 HD3 LYS B 48 10.417 6.537 11.958 1.00 0.00 H new ATOM 0 HE2 LYS B 48 9.512 8.050 13.660 1.00 0.00 H new ATOM 0 HE3 LYS B 48 11.240 8.292 13.495 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.865 10.361 13.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 10.902 10.271 12.263 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.241 9.972 12.074 1.00 0.00 H new ATOM 1642 N GLN B 49 8.609 9.064 7.880 1.00 0.00 N ATOM 1643 CA GLN B 49 8.255 10.420 7.515 1.00 0.00 C ATOM 1644 C GLN B 49 8.398 11.303 8.742 1.00 0.00 C ATOM 1645 O GLN B 49 7.645 11.158 9.703 1.00 0.00 O ATOM 1646 CB GLN B 49 6.822 10.479 6.982 1.00 0.00 C ATOM 1647 CG GLN B 49 6.591 9.630 5.741 1.00 0.00 C ATOM 1648 CD GLN B 49 7.434 10.074 4.560 1.00 0.00 C ATOM 1649 OE1 GLN B 49 8.664 10.046 4.613 1.00 0.00 O ATOM 1650 NE2 GLN B 49 6.773 10.486 3.485 1.00 0.00 N ATOM 0 H GLN B 49 7.845 8.391 7.816 1.00 0.00 H new ATOM 0 HA GLN B 49 8.919 10.771 6.725 1.00 0.00 H new ATOM 0 HB2 GLN B 49 6.139 10.152 7.766 1.00 0.00 H new ATOM 0 HB3 GLN B 49 6.572 11.515 6.753 1.00 0.00 H new ATOM 0 HG2 GLN B 49 6.816 8.589 5.971 1.00 0.00 H new ATOM 0 HG3 GLN B 49 5.537 9.675 5.467 1.00 0.00 H new ATOM 0 HE21 GLN B 49 5.753 10.493 3.485 1.00 0.00 H new ATOM 0 HE22 GLN B 49 7.285 10.796 2.659 1.00 0.00 H new ATOM 1659 N LEU B 50 9.388 12.187 8.716 1.00 0.00 N ATOM 1660 CA LEU B 50 9.659 13.076 9.843 1.00 0.00 C ATOM 1661 C LEU B 50 8.409 13.839 10.268 1.00 0.00 C ATOM 1662 O LEU B 50 8.230 15.005 9.915 1.00 0.00 O ATOM 1663 CB LEU B 50 10.783 14.061 9.500 1.00 0.00 C ATOM 1664 CG LEU B 50 12.155 13.431 9.220 1.00 0.00 C ATOM 1665 CD1 LEU B 50 12.541 12.464 10.331 1.00 0.00 C ATOM 1666 CD2 LEU B 50 12.169 12.735 7.867 1.00 0.00 C ATOM 0 H LEU B 50 10.020 12.309 7.924 1.00 0.00 H new ATOM 0 HA LEU B 50 9.977 12.453 10.679 1.00 0.00 H new ATOM 0 HB2 LEU B 50 10.482 14.637 8.625 1.00 0.00 H new ATOM 0 HB3 LEU B 50 10.888 14.766 10.325 1.00 0.00 H new ATOM 0 HG LEU B 50 12.895 14.231 9.193 1.00 0.00 H new ATOM 0 HD11 LEU B 50 13.516 12.029 10.112 1.00 0.00 H new ATOM 0 HD12 LEU B 50 12.587 12.999 11.280 1.00 0.00 H new ATOM 0 HD13 LEU B 50 11.797 11.670 10.398 1.00 0.00 H new ATOM 0 HD21 LEU B 50 13.152 12.297 7.693 1.00 0.00 H new ATOM 0 HD22 LEU B 50 11.414 11.949 7.855 1.00 0.00 H new ATOM 0 HD23 LEU B 50 11.951 13.460 7.083 1.00 0.00 H new ATOM 1678 N GLU B 51 7.549 13.169 11.032 1.00 0.00 N ATOM 1679 CA GLU B 51 6.313 13.774 11.515 1.00 0.00 C ATOM 1680 C GLU B 51 5.455 14.268 10.353 1.00 0.00 C ATOM 1681 O GLU B 51 5.599 15.449 9.970 1.00 0.00 O ATOM 1682 CB GLU B 51 6.624 14.930 12.469 1.00 0.00 C ATOM 1683 CG GLU B 51 5.389 15.594 13.060 1.00 0.00 C ATOM 1684 CD GLU B 51 4.579 14.662 13.943 1.00 0.00 C ATOM 1685 OE1 GLU B 51 4.973 13.486 14.091 1.00 0.00 O ATOM 1686 OE2 GLU B 51 3.550 15.110 14.489 1.00 0.00 O ATOM 1687 OXT GLU B 51 4.648 13.469 9.834 1.00 0.00 O ATOM 0 H GLU B 51 7.688 12.203 11.330 1.00 0.00 H new ATOM 0 HA GLU B 51 5.751 13.011 12.054 1.00 0.00 H new ATOM 0 HB2 GLU B 51 7.248 14.559 13.282 1.00 0.00 H new ATOM 0 HB3 GLU B 51 7.208 15.681 11.936 1.00 0.00 H new ATOM 0 HG2 GLU B 51 5.694 16.463 13.643 1.00 0.00 H new ATOM 0 HG3 GLU B 51 4.757 15.959 12.250 1.00 0.00 H new TER 1694 GLU B 51