USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 726 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 Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0858 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.187) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -143:sc= -0.263 (180deg=-1.37!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 44 SER OG : rot -150:sc= -0.182 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 45:sc=0.000723 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.118 F(o=-0.69,f=-0.12) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.034 USER MOD Single : A 58 SER OG : rot -32:sc= 1.06 USER MOD Single : A 59 TYR OH : rot 90:sc= -0.566 USER MOD Single : A 60 ASN : amide:sc= -3.23! C(o=-3.2!,f=-3.6!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0486 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0494) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 78 HIS : no HD1:sc= -3.26 X(o=-3.3,f=-3.3!) USER MOD Single : A 79 THR OG1 : rot -62:sc= 1.2 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -5.58! C(o=-5.6!,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -7.663 19.840 -6.581 1.00 0.00 N ATOM 2 CA LEU A 1 -8.862 19.423 -5.809 1.00 0.00 C ATOM 3 C LEU A 1 -9.252 17.984 -6.134 1.00 0.00 C ATOM 4 O LEU A 1 -8.527 17.277 -6.833 1.00 0.00 O ATOM 5 CB LEU A 1 -10.014 20.375 -6.144 1.00 0.00 C ATOM 6 CG LEU A 1 -10.415 21.327 -5.016 1.00 0.00 C ATOM 7 CD1 LEU A 1 -10.801 22.687 -5.575 1.00 0.00 C ATOM 8 CD2 LEU A 1 -11.559 20.737 -4.205 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.420 20.822 -6.341 1.00 0.00 H new ATOM 0 H2 LEU A 1 -6.864 19.218 -6.344 1.00 0.00 H new ATOM 0 H3 LEU A 1 -7.865 19.772 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 1 -8.637 19.469 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -9.735 20.966 -7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -10.885 19.783 -6.426 1.00 0.00 H new ATOM 0 HG LEU A 1 -9.558 21.460 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -11.083 23.350 -4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -9.954 23.113 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -11.643 22.574 -6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -11.832 21.427 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -12.419 20.574 -4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -11.246 19.787 -3.772 1.00 0.00 H new ATOM 22 N PHE A 2 -10.403 17.557 -5.621 1.00 0.00 N ATOM 23 CA PHE A 2 -10.889 16.203 -5.855 1.00 0.00 C ATOM 24 C PHE A 2 -9.932 15.173 -5.263 1.00 0.00 C ATOM 25 O PHE A 2 -8.717 15.370 -5.259 1.00 0.00 O ATOM 26 CB PHE A 2 -11.065 15.952 -7.355 1.00 0.00 C ATOM 27 CG PHE A 2 -11.593 14.583 -7.679 1.00 0.00 C ATOM 28 CD1 PHE A 2 -12.834 14.177 -7.215 1.00 0.00 C ATOM 29 CD2 PHE A 2 -10.848 13.705 -8.448 1.00 0.00 C ATOM 30 CE1 PHE A 2 -13.321 12.918 -7.513 1.00 0.00 C ATOM 31 CE2 PHE A 2 -11.329 12.445 -8.748 1.00 0.00 C ATOM 32 CZ PHE A 2 -12.568 12.051 -8.280 1.00 0.00 C ATOM 0 H PHE A 2 -11.015 18.130 -5.041 1.00 0.00 H new ATOM 0 HA PHE A 2 -11.856 16.100 -5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -11.745 16.700 -7.763 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.105 16.089 -7.853 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -13.427 14.851 -6.614 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -9.880 14.009 -8.818 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -14.290 12.613 -7.146 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -10.737 11.769 -9.347 1.00 0.00 H new ATOM 0 HZ PHE A 2 -12.947 11.067 -8.514 1.00 0.00 H new ATOM 42 N ILE A 3 -10.488 14.074 -4.762 1.00 0.00 N ATOM 43 CA ILE A 3 -9.681 13.014 -4.168 1.00 0.00 C ATOM 44 C ILE A 3 -8.684 12.453 -5.176 1.00 0.00 C ATOM 45 O ILE A 3 -9.049 11.680 -6.062 1.00 0.00 O ATOM 46 CB ILE A 3 -10.565 11.866 -3.636 1.00 0.00 C ATOM 47 CG1 ILE A 3 -11.615 12.411 -2.666 1.00 0.00 C ATOM 48 CG2 ILE A 3 -9.709 10.806 -2.958 1.00 0.00 C ATOM 49 CD1 ILE A 3 -12.968 12.637 -3.304 1.00 0.00 C ATOM 0 H ILE A 3 -11.492 13.895 -4.756 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.137 13.458 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.079 11.404 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -11.726 11.715 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.258 13.352 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.348 10.004 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.996 10.401 -3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.169 11.253 -2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -13.662 13.024 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -12.871 13.357 -4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.347 11.694 -3.697 1.00 0.00 H new ATOM 61 N ALA A 4 -7.423 12.846 -5.033 1.00 0.00 N ATOM 62 CA ALA A 4 -6.371 12.382 -5.930 1.00 0.00 C ATOM 63 C ALA A 4 -6.102 10.895 -5.736 1.00 0.00 C ATOM 64 O ALA A 4 -5.369 10.500 -4.828 1.00 0.00 O ATOM 65 CB ALA A 4 -5.097 13.183 -5.706 1.00 0.00 C ATOM 0 H ALA A 4 -7.104 13.485 -4.304 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.708 12.533 -6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.320 12.827 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.291 14.238 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.766 13.059 -4.675 1.00 0.00 H new ATOM 71 N THR A 5 -6.699 10.075 -6.593 1.00 0.00 N ATOM 72 CA THR A 5 -6.523 8.629 -6.515 1.00 0.00 C ATOM 73 C THR A 5 -5.129 8.224 -6.981 1.00 0.00 C ATOM 74 O THR A 5 -4.924 7.896 -8.150 1.00 0.00 O ATOM 75 CB THR A 5 -7.584 7.918 -7.360 1.00 0.00 C ATOM 76 OG1 THR A 5 -7.976 8.726 -8.454 1.00 0.00 O ATOM 77 CG2 THR A 5 -8.831 7.564 -6.579 1.00 0.00 C ATOM 0 H THR A 5 -7.309 10.386 -7.349 1.00 0.00 H new ATOM 0 HA THR A 5 -6.638 8.330 -5.473 1.00 0.00 H new ATOM 0 HB THR A 5 -7.114 6.995 -7.700 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.653 8.254 -8.983 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.542 7.063 -7.236 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.568 6.900 -5.755 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.282 8.473 -6.182 1.00 0.00 H new ATOM 85 N LEU A 6 -4.173 8.248 -6.058 1.00 0.00 N ATOM 86 CA LEU A 6 -2.798 7.883 -6.372 1.00 0.00 C ATOM 87 C LEU A 6 -2.719 6.446 -6.878 1.00 0.00 C ATOM 88 O LEU A 6 -3.256 5.529 -6.257 1.00 0.00 O ATOM 89 CB LEU A 6 -1.909 8.052 -5.138 1.00 0.00 C ATOM 90 CG LEU A 6 -0.538 8.674 -5.406 1.00 0.00 C ATOM 91 CD1 LEU A 6 -0.688 10.023 -6.091 1.00 0.00 C ATOM 92 CD2 LEU A 6 0.244 8.816 -4.109 1.00 0.00 C ATOM 0 H LEU A 6 -4.326 8.517 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.443 8.547 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.436 8.671 -4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.764 7.075 -4.678 1.00 0.00 H new ATOM 0 HG LEU A 6 0.017 8.012 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.298 10.450 -6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.209 9.893 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.261 10.694 -5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.217 9.260 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.307 9.456 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.383 7.833 -3.658 1.00 0.00 H new ATOM 104 N LYS A 7 -2.049 6.258 -8.009 1.00 0.00 N ATOM 105 CA LYS A 7 -1.903 4.933 -8.598 1.00 0.00 C ATOM 106 C LYS A 7 -0.510 4.754 -9.196 1.00 0.00 C ATOM 107 O LYS A 7 -0.343 4.741 -10.415 1.00 0.00 O ATOM 108 CB LYS A 7 -2.967 4.713 -9.675 1.00 0.00 C ATOM 109 CG LYS A 7 -4.370 4.537 -9.116 1.00 0.00 C ATOM 110 CD LYS A 7 -5.395 5.345 -9.901 1.00 0.00 C ATOM 111 CE LYS A 7 -6.560 4.479 -10.354 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.745 4.635 -9.466 1.00 0.00 N ATOM 0 H LYS A 7 -1.599 7.006 -8.536 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.036 4.193 -7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.961 5.562 -10.359 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.704 3.831 -10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.642 3.482 -9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.387 4.846 -8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.767 6.162 -9.282 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.916 5.796 -10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.834 4.744 -11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.252 3.434 -10.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.517 4.029 -9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.491 4.358 -8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.055 5.628 -9.472 1.00 0.00 H new ATOM 126 N GLY A 8 0.487 4.614 -8.327 1.00 0.00 N ATOM 127 CA GLY A 8 1.852 4.436 -8.786 1.00 0.00 C ATOM 128 C GLY A 8 2.134 3.009 -9.210 1.00 0.00 C ATOM 129 O GLY A 8 1.748 2.063 -8.522 1.00 0.00 O ATOM 0 H GLY A 8 0.373 4.621 -7.313 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.041 5.106 -9.625 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.541 4.719 -7.990 1.00 0.00 H new ATOM 133 N ILE A 9 2.804 2.851 -10.346 1.00 0.00 N ATOM 134 CA ILE A 9 3.131 1.526 -10.858 1.00 0.00 C ATOM 135 C ILE A 9 4.603 1.192 -10.638 1.00 0.00 C ATOM 136 O ILE A 9 5.489 1.983 -10.960 1.00 0.00 O ATOM 137 CB ILE A 9 2.805 1.405 -12.359 1.00 0.00 C ATOM 138 CG1 ILE A 9 1.375 1.878 -12.630 1.00 0.00 C ATOM 139 CG2 ILE A 9 2.992 -0.031 -12.827 1.00 0.00 C ATOM 140 CD1 ILE A 9 0.977 1.798 -14.089 1.00 0.00 C ATOM 0 H ILE A 9 3.131 3.622 -10.928 1.00 0.00 H new ATOM 0 HA ILE A 9 2.517 0.817 -10.303 1.00 0.00 H new ATOM 0 HB ILE A 9 3.491 2.041 -12.919 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.684 1.276 -12.040 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.271 2.908 -12.290 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.758 -0.101 -13.889 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.025 -0.336 -12.662 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.327 -0.686 -12.265 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.048 2.149 -14.206 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.644 2.422 -14.683 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.048 0.765 -14.429 1.00 0.00 H new ATOM 152 N PHE A 10 4.849 0.009 -10.085 1.00 0.00 N ATOM 153 CA PHE A 10 6.205 -0.454 -9.814 1.00 0.00 C ATOM 154 C PHE A 10 6.623 -1.504 -10.846 1.00 0.00 C ATOM 155 O PHE A 10 5.944 -2.516 -11.022 1.00 0.00 O ATOM 156 CB PHE A 10 6.272 -1.032 -8.398 1.00 0.00 C ATOM 157 CG PHE A 10 6.563 0.005 -7.348 1.00 0.00 C ATOM 158 CD1 PHE A 10 5.969 1.257 -7.412 1.00 0.00 C ATOM 159 CD2 PHE A 10 7.425 -0.268 -6.299 1.00 0.00 C ATOM 160 CE1 PHE A 10 6.228 2.213 -6.451 1.00 0.00 C ATOM 161 CE2 PHE A 10 7.688 0.684 -5.333 1.00 0.00 C ATOM 162 CZ PHE A 10 7.089 1.924 -5.409 1.00 0.00 C ATOM 0 H PHE A 10 4.120 -0.651 -9.814 1.00 0.00 H new ATOM 0 HA PHE A 10 6.895 0.386 -9.887 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.325 -1.519 -8.166 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.043 -1.802 -8.363 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.295 1.487 -8.224 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.897 -1.237 -6.235 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.759 3.184 -6.513 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.362 0.458 -4.520 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.293 2.669 -4.654 1.00 0.00 H new ATOM 172 N THR A 11 7.726 -1.245 -11.545 1.00 0.00 N ATOM 173 CA THR A 11 8.207 -2.161 -12.580 1.00 0.00 C ATOM 174 C THR A 11 9.355 -3.033 -12.100 1.00 0.00 C ATOM 175 O THR A 11 10.192 -2.608 -11.304 1.00 0.00 O ATOM 176 CB THR A 11 8.634 -1.378 -13.822 1.00 0.00 C ATOM 177 OG1 THR A 11 9.064 -2.257 -14.845 1.00 0.00 O ATOM 178 CG2 THR A 11 9.757 -0.398 -13.556 1.00 0.00 C ATOM 0 H THR A 11 8.302 -0.413 -11.416 1.00 0.00 H new ATOM 0 HA THR A 11 7.378 -2.824 -12.828 1.00 0.00 H new ATOM 0 HB THR A 11 7.750 -0.818 -14.128 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.331 -1.737 -15.632 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.011 0.124 -14.479 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.438 0.326 -12.806 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.632 -0.937 -13.192 1.00 0.00 H new ATOM 186 N LEU A 12 9.378 -4.261 -12.616 1.00 0.00 N ATOM 187 CA LEU A 12 10.405 -5.240 -12.284 1.00 0.00 C ATOM 188 C LEU A 12 10.793 -5.167 -10.801 1.00 0.00 C ATOM 189 O LEU A 12 9.946 -4.901 -9.949 1.00 0.00 O ATOM 190 CB LEU A 12 11.622 -5.060 -13.210 1.00 0.00 C ATOM 191 CG LEU A 12 11.969 -3.616 -13.583 1.00 0.00 C ATOM 192 CD1 LEU A 12 12.649 -2.909 -12.423 1.00 0.00 C ATOM 193 CD2 LEU A 12 12.857 -3.589 -14.817 1.00 0.00 C ATOM 0 H LEU A 12 8.681 -4.603 -13.278 1.00 0.00 H new ATOM 0 HA LEU A 12 10.001 -6.239 -12.448 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.490 -5.509 -12.729 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.442 -5.619 -14.128 1.00 0.00 H new ATOM 0 HG LEU A 12 11.043 -3.087 -13.808 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.887 -1.885 -12.710 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.981 -2.899 -11.561 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.568 -3.436 -12.164 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.096 -2.556 -15.071 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.778 -4.135 -14.614 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.334 -4.056 -15.652 1.00 0.00 H new ATOM 205 N LYS A 13 12.061 -5.416 -10.495 1.00 0.00 N ATOM 206 CA LYS A 13 12.543 -5.390 -9.116 1.00 0.00 C ATOM 207 C LYS A 13 12.974 -3.986 -8.710 1.00 0.00 C ATOM 208 O LYS A 13 12.667 -3.528 -7.610 1.00 0.00 O ATOM 209 CB LYS A 13 13.711 -6.362 -8.944 1.00 0.00 C ATOM 210 CG LYS A 13 13.695 -7.103 -7.615 1.00 0.00 C ATOM 211 CD LYS A 13 14.874 -8.052 -7.491 1.00 0.00 C ATOM 212 CE LYS A 13 16.185 -7.295 -7.347 1.00 0.00 C ATOM 213 NZ LYS A 13 16.949 -7.257 -8.625 1.00 0.00 N ATOM 0 H LYS A 13 12.778 -5.639 -11.185 1.00 0.00 H new ATOM 0 HA LYS A 13 11.722 -5.697 -8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.691 -7.089 -9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.647 -5.811 -9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.718 -6.384 -6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.765 -7.663 -7.521 1.00 0.00 H new ATOM 0 HD2 LYS A 13 14.731 -8.701 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.919 -8.695 -8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.981 -6.277 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.793 -7.766 -6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.602 -6.448 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.491 -8.138 -8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.288 -7.159 -9.422 1.00 0.00 H new ATOM 227 N ASP A 14 13.684 -3.305 -9.601 1.00 0.00 N ATOM 228 CA ASP A 14 14.149 -1.949 -9.329 1.00 0.00 C ATOM 229 C ASP A 14 12.980 -1.027 -8.983 1.00 0.00 C ATOM 230 O ASP A 14 13.168 -0.002 -8.330 1.00 0.00 O ATOM 231 CB ASP A 14 14.906 -1.397 -10.539 1.00 0.00 C ATOM 232 CG ASP A 14 16.012 -0.437 -10.142 1.00 0.00 C ATOM 233 OD1 ASP A 14 16.996 -0.891 -9.521 1.00 0.00 O ATOM 234 OD2 ASP A 14 15.895 0.766 -10.455 1.00 0.00 O ATOM 0 H ASP A 14 13.950 -3.668 -10.516 1.00 0.00 H new ATOM 0 HA ASP A 14 14.821 -1.988 -8.472 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.333 -2.225 -11.105 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.206 -0.886 -11.200 1.00 0.00 H new ATOM 239 N LEU A 15 11.779 -1.411 -9.433 1.00 0.00 N ATOM 240 CA LEU A 15 10.538 -0.651 -9.202 1.00 0.00 C ATOM 241 C LEU A 15 10.683 0.436 -8.134 1.00 0.00 C ATOM 242 O LEU A 15 10.263 0.254 -6.991 1.00 0.00 O ATOM 243 CB LEU A 15 9.413 -1.601 -8.793 1.00 0.00 C ATOM 244 CG LEU A 15 9.845 -2.833 -7.994 1.00 0.00 C ATOM 245 CD1 LEU A 15 10.423 -2.428 -6.646 1.00 0.00 C ATOM 246 CD2 LEU A 15 8.670 -3.781 -7.808 1.00 0.00 C ATOM 0 H LEU A 15 11.637 -2.265 -9.973 1.00 0.00 H new ATOM 0 HA LEU A 15 10.304 -0.154 -10.143 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.687 -1.043 -8.201 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.899 -1.936 -9.694 1.00 0.00 H new ATOM 0 HG LEU A 15 10.624 -3.350 -8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.723 -3.320 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.291 -1.787 -6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.669 -1.886 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.992 -4.652 -7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.872 -3.270 -7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.303 -4.101 -8.783 1.00 0.00 H new ATOM 258 N PRO A 16 11.287 1.578 -8.487 1.00 0.00 N ATOM 259 CA PRO A 16 11.494 2.676 -7.564 1.00 0.00 C ATOM 260 C PRO A 16 10.445 3.768 -7.686 1.00 0.00 C ATOM 261 O PRO A 16 10.775 4.950 -7.742 1.00 0.00 O ATOM 262 CB PRO A 16 12.850 3.194 -8.009 1.00 0.00 C ATOM 263 CG PRO A 16 12.888 2.954 -9.493 1.00 0.00 C ATOM 264 CD PRO A 16 11.848 1.896 -9.805 1.00 0.00 C ATOM 0 HA PRO A 16 11.432 2.364 -6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.964 4.253 -7.777 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.659 2.668 -7.503 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.675 3.874 -10.037 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.879 2.622 -9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.085 2.270 -10.488 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.294 1.019 -10.275 1.00 0.00 H new ATOM 272 N GLU A 17 9.186 3.357 -7.719 1.00 0.00 N ATOM 273 CA GLU A 17 8.063 4.292 -7.829 1.00 0.00 C ATOM 274 C GLU A 17 8.336 5.362 -8.884 1.00 0.00 C ATOM 275 O GLU A 17 7.888 5.256 -10.026 1.00 0.00 O ATOM 276 CB GLU A 17 7.786 4.957 -6.475 1.00 0.00 C ATOM 277 CG GLU A 17 6.722 6.044 -6.530 1.00 0.00 C ATOM 278 CD GLU A 17 7.236 7.392 -6.063 1.00 0.00 C ATOM 279 OE1 GLU A 17 7.913 7.438 -5.014 1.00 0.00 O ATOM 280 OE2 GLU A 17 6.962 8.402 -6.746 1.00 0.00 O ATOM 0 H GLU A 17 8.910 2.376 -7.671 1.00 0.00 H new ATOM 0 HA GLU A 17 7.186 3.723 -8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.475 4.193 -5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.713 5.388 -6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.354 6.135 -7.552 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.875 5.749 -5.911 1.00 0.00 H new ATOM 287 N GLU A 18 9.072 6.391 -8.486 1.00 0.00 N ATOM 288 CA GLU A 18 9.410 7.486 -9.373 1.00 0.00 C ATOM 289 C GLU A 18 10.585 8.278 -8.807 1.00 0.00 C ATOM 290 O GLU A 18 10.690 9.487 -9.008 1.00 0.00 O ATOM 291 CB GLU A 18 8.191 8.390 -9.554 1.00 0.00 C ATOM 292 CG GLU A 18 8.320 9.371 -10.708 1.00 0.00 C ATOM 293 CD GLU A 18 7.226 10.421 -10.704 1.00 0.00 C ATOM 294 OE1 GLU A 18 6.056 10.061 -10.954 1.00 0.00 O ATOM 295 OE2 GLU A 18 7.540 11.604 -10.454 1.00 0.00 O ATOM 0 H GLU A 18 9.448 6.486 -7.543 1.00 0.00 H new ATOM 0 HA GLU A 18 9.703 7.087 -10.344 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.310 7.768 -9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.024 8.948 -8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.291 9.863 -10.655 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.290 8.824 -11.650 1.00 0.00 H new ATOM 302 N PHE A 19 11.466 7.582 -8.089 1.00 0.00 N ATOM 303 CA PHE A 19 12.632 8.215 -7.486 1.00 0.00 C ATOM 304 C PHE A 19 13.629 7.175 -6.977 1.00 0.00 C ATOM 305 O PHE A 19 14.775 7.131 -7.427 1.00 0.00 O ATOM 306 CB PHE A 19 12.201 9.130 -6.337 1.00 0.00 C ATOM 307 CG PHE A 19 12.907 10.456 -6.327 1.00 0.00 C ATOM 308 CD1 PHE A 19 14.279 10.527 -6.500 1.00 0.00 C ATOM 309 CD2 PHE A 19 12.196 11.631 -6.145 1.00 0.00 C ATOM 310 CE1 PHE A 19 14.931 11.746 -6.492 1.00 0.00 C ATOM 311 CE2 PHE A 19 12.842 12.853 -6.135 1.00 0.00 C ATOM 312 CZ PHE A 19 14.211 12.911 -6.308 1.00 0.00 C ATOM 0 H PHE A 19 11.392 6.580 -7.912 1.00 0.00 H new ATOM 0 HA PHE A 19 13.125 8.809 -8.256 1.00 0.00 H new ATOM 0 HB2 PHE A 19 11.126 9.300 -6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.386 8.622 -5.390 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.846 9.619 -6.643 1.00 0.00 H new ATOM 0 HD2 PHE A 19 11.125 11.592 -6.009 1.00 0.00 H new ATOM 0 HE1 PHE A 19 16.001 11.788 -6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.276 13.762 -5.992 1.00 0.00 H new ATOM 0 HZ PHE A 19 14.718 13.865 -6.299 1.00 0.00 H new ATOM 322 N ARG A 20 13.194 6.342 -6.033 1.00 0.00 N ATOM 323 CA ARG A 20 14.063 5.313 -5.465 1.00 0.00 C ATOM 324 C ARG A 20 13.257 4.087 -5.020 1.00 0.00 C ATOM 325 O ARG A 20 12.081 4.200 -4.670 1.00 0.00 O ATOM 326 CB ARG A 20 14.864 5.901 -4.291 1.00 0.00 C ATOM 327 CG ARG A 20 14.900 5.031 -3.041 1.00 0.00 C ATOM 328 CD ARG A 20 16.005 5.467 -2.092 1.00 0.00 C ATOM 329 NE ARG A 20 16.526 4.350 -1.306 1.00 0.00 N ATOM 330 CZ ARG A 20 17.382 3.446 -1.779 1.00 0.00 C ATOM 331 NH1 ARG A 20 17.811 3.522 -3.033 1.00 0.00 N ATOM 332 NH2 ARG A 20 17.809 2.465 -0.997 1.00 0.00 N ATOM 0 H ARG A 20 12.250 6.359 -5.647 1.00 0.00 H new ATOM 0 HA ARG A 20 14.758 4.981 -6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 20 15.887 6.080 -4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.439 6.870 -4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.938 5.085 -2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.052 3.990 -3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 20 16.817 5.917 -2.663 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.623 6.236 -1.420 1.00 0.00 H new ATOM 0 HE ARG A 20 16.216 4.258 -0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.485 4.275 -3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.467 2.827 -3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.482 2.402 -0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.465 1.773 -1.359 1.00 0.00 H new ATOM 346 N PRO A 21 13.887 2.896 -5.030 1.00 0.00 N ATOM 347 CA PRO A 21 13.233 1.641 -4.629 1.00 0.00 C ATOM 348 C PRO A 21 12.813 1.641 -3.161 1.00 0.00 C ATOM 349 O PRO A 21 13.657 1.672 -2.265 1.00 0.00 O ATOM 350 CB PRO A 21 14.307 0.571 -4.871 1.00 0.00 C ATOM 351 CG PRO A 21 15.307 1.212 -5.772 1.00 0.00 C ATOM 352 CD PRO A 21 15.285 2.675 -5.437 1.00 0.00 C ATOM 0 HA PRO A 21 12.314 1.476 -5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.767 0.257 -3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.878 -0.320 -5.330 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.300 0.791 -5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.052 1.047 -6.819 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.983 2.917 -4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.559 3.290 -6.294 1.00 0.00 H new ATOM 360 N PHE A 22 11.505 1.599 -2.925 1.00 0.00 N ATOM 361 CA PHE A 22 10.975 1.584 -1.566 1.00 0.00 C ATOM 362 C PHE A 22 10.587 0.169 -1.147 1.00 0.00 C ATOM 363 O PHE A 22 11.143 -0.380 -0.198 1.00 0.00 O ATOM 364 CB PHE A 22 9.766 2.519 -1.457 1.00 0.00 C ATOM 365 CG PHE A 22 10.020 3.731 -0.607 1.00 0.00 C ATOM 366 CD1 PHE A 22 10.120 3.618 0.770 1.00 0.00 C ATOM 367 CD2 PHE A 22 10.159 4.982 -1.185 1.00 0.00 C ATOM 368 CE1 PHE A 22 10.355 4.732 1.555 1.00 0.00 C ATOM 369 CE2 PHE A 22 10.394 6.099 -0.405 1.00 0.00 C ATOM 370 CZ PHE A 22 10.492 5.974 0.967 1.00 0.00 C ATOM 0 H PHE A 22 10.794 1.575 -3.656 1.00 0.00 H new ATOM 0 HA PHE A 22 11.756 1.937 -0.893 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.474 2.841 -2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.924 1.964 -1.043 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.013 2.649 1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.083 5.086 -2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.431 4.631 2.628 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.501 7.069 -0.868 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.675 6.845 1.578 1.00 0.00 H new ATOM 380 N VAL A 23 9.629 -0.416 -1.863 1.00 0.00 N ATOM 381 CA VAL A 23 9.169 -1.770 -1.565 1.00 0.00 C ATOM 382 C VAL A 23 10.216 -2.815 -1.938 1.00 0.00 C ATOM 383 O VAL A 23 10.078 -3.989 -1.594 1.00 0.00 O ATOM 384 CB VAL A 23 7.852 -2.097 -2.294 1.00 0.00 C ATOM 385 CG1 VAL A 23 6.742 -1.162 -1.838 1.00 0.00 C ATOM 386 CG2 VAL A 23 8.040 -2.018 -3.802 1.00 0.00 C ATOM 0 H VAL A 23 9.157 0.026 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 23 8.998 -1.805 -0.489 1.00 0.00 H new ATOM 0 HB VAL A 23 7.563 -3.117 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.820 -1.408 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.589 -1.275 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.021 -0.132 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.099 -2.252 -4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.355 -1.011 -4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.802 -2.734 -4.112 1.00 0.00 H new ATOM 396 N ASP A 24 11.269 -2.387 -2.635 1.00 0.00 N ATOM 397 CA ASP A 24 12.338 -3.296 -3.039 1.00 0.00 C ATOM 398 C ASP A 24 12.800 -4.143 -1.857 1.00 0.00 C ATOM 399 O ASP A 24 13.271 -5.267 -2.031 1.00 0.00 O ATOM 400 CB ASP A 24 13.517 -2.509 -3.613 1.00 0.00 C ATOM 401 CG ASP A 24 14.626 -3.412 -4.117 1.00 0.00 C ATOM 402 OD1 ASP A 24 14.342 -4.592 -4.409 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.777 -2.938 -4.221 1.00 0.00 O ATOM 0 H ASP A 24 11.403 -1.420 -2.930 1.00 0.00 H new ATOM 0 HA ASP A 24 11.948 -3.960 -3.810 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.166 -1.879 -4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.914 -1.844 -2.846 1.00 0.00 H new ATOM 408 N TYR A 25 12.652 -3.597 -0.653 1.00 0.00 N ATOM 409 CA TYR A 25 13.044 -4.301 0.558 1.00 0.00 C ATOM 410 C TYR A 25 12.260 -5.605 0.693 1.00 0.00 C ATOM 411 O TYR A 25 12.798 -6.625 1.129 1.00 0.00 O ATOM 412 CB TYR A 25 12.822 -3.407 1.785 1.00 0.00 C ATOM 413 CG TYR A 25 11.388 -3.365 2.271 1.00 0.00 C ATOM 414 CD1 TYR A 25 10.384 -2.799 1.493 1.00 0.00 C ATOM 415 CD2 TYR A 25 11.039 -3.889 3.511 1.00 0.00 C ATOM 416 CE1 TYR A 25 9.076 -2.757 1.936 1.00 0.00 C ATOM 417 CE2 TYR A 25 9.733 -3.851 3.959 1.00 0.00 C ATOM 418 CZ TYR A 25 8.756 -3.284 3.168 1.00 0.00 C ATOM 419 OH TYR A 25 7.453 -3.244 3.613 1.00 0.00 O ATOM 0 H TYR A 25 12.263 -2.668 -0.493 1.00 0.00 H new ATOM 0 HA TYR A 25 14.105 -4.545 0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.459 -3.759 2.597 1.00 0.00 H new ATOM 0 HB3 TYR A 25 13.142 -2.393 1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.631 -2.385 0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.802 -4.333 4.134 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.308 -2.313 1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.478 -4.263 4.924 1.00 0.00 H new ATOM 0 HH TYR A 25 7.397 -3.658 4.499 1.00 0.00 H new ATOM 429 N LYS A 26 10.987 -5.566 0.307 1.00 0.00 N ATOM 430 CA LYS A 26 10.134 -6.746 0.378 1.00 0.00 C ATOM 431 C LYS A 26 10.707 -7.872 -0.471 1.00 0.00 C ATOM 432 O LYS A 26 10.706 -9.033 -0.065 1.00 0.00 O ATOM 433 CB LYS A 26 8.716 -6.409 -0.086 1.00 0.00 C ATOM 434 CG LYS A 26 7.727 -7.546 0.113 1.00 0.00 C ATOM 435 CD LYS A 26 6.299 -7.034 0.213 1.00 0.00 C ATOM 436 CE LYS A 26 5.513 -7.780 1.278 1.00 0.00 C ATOM 437 NZ LYS A 26 5.023 -9.096 0.785 1.00 0.00 N ATOM 0 H LYS A 26 10.526 -4.732 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 26 10.095 -7.077 1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.363 -5.532 0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.742 -6.141 -1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.806 -8.247 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.981 -8.096 1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.309 -5.969 0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.803 -7.145 -0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.143 -7.932 2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.665 -7.173 1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.492 -9.574 1.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.401 -8.950 -0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.833 -9.685 0.505 1.00 0.00 H new ATOM 451 N ALA A 27 11.206 -7.520 -1.652 1.00 0.00 N ATOM 452 CA ALA A 27 11.793 -8.502 -2.552 1.00 0.00 C ATOM 453 C ALA A 27 13.027 -9.135 -1.919 1.00 0.00 C ATOM 454 O ALA A 27 13.356 -10.290 -2.194 1.00 0.00 O ATOM 455 CB ALA A 27 12.149 -7.854 -3.881 1.00 0.00 C ATOM 0 H ALA A 27 11.215 -6.563 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 27 11.060 -9.287 -2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.587 -8.600 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.248 -7.445 -4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.867 -7.051 -3.714 1.00 0.00 H new ATOM 461 N GLY A 28 13.702 -8.370 -1.066 1.00 0.00 N ATOM 462 CA GLY A 28 14.889 -8.869 -0.400 1.00 0.00 C ATOM 463 C GLY A 28 14.627 -9.269 1.041 1.00 0.00 C ATOM 464 O GLY A 28 15.564 -9.520 1.800 1.00 0.00 O ATOM 0 H GLY A 28 13.447 -7.412 -0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.273 -9.729 -0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.664 -8.103 -0.425 1.00 0.00 H new ATOM 468 N LEU A 29 13.350 -9.332 1.423 1.00 0.00 N ATOM 469 CA LEU A 29 12.975 -9.708 2.785 1.00 0.00 C ATOM 470 C LEU A 29 13.666 -10.998 3.215 1.00 0.00 C ATOM 471 O LEU A 29 13.863 -11.243 4.406 1.00 0.00 O ATOM 472 CB LEU A 29 11.456 -9.865 2.893 1.00 0.00 C ATOM 473 CG LEU A 29 10.723 -8.670 3.504 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.226 -8.780 3.258 1.00 0.00 C ATOM 475 CD2 LEU A 29 11.014 -8.572 4.993 1.00 0.00 C ATOM 0 H LEU A 29 12.561 -9.128 0.810 1.00 0.00 H new ATOM 0 HA LEU A 29 13.301 -8.911 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.053 -10.048 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.239 -10.750 3.492 1.00 0.00 H new ATOM 0 HG LEU A 29 11.084 -7.761 3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.721 -7.921 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.034 -8.802 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.849 -9.696 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.484 -7.716 5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.681 -9.483 5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.086 -8.446 5.147 1.00 0.00 H new ATOM 487 N GLU A 30 14.033 -11.816 2.240 1.00 0.00 N ATOM 488 CA GLU A 30 14.705 -13.081 2.510 1.00 0.00 C ATOM 489 C GLU A 30 15.096 -13.781 1.213 1.00 0.00 C ATOM 490 O GLU A 30 14.909 -14.988 1.066 1.00 0.00 O ATOM 491 CB GLU A 30 13.808 -13.994 3.351 1.00 0.00 C ATOM 492 CG GLU A 30 12.534 -14.416 2.639 1.00 0.00 C ATOM 493 CD GLU A 30 11.911 -15.657 3.249 1.00 0.00 C ATOM 494 OE1 GLU A 30 12.655 -16.622 3.522 1.00 0.00 O ATOM 495 OE2 GLU A 30 10.679 -15.663 3.452 1.00 0.00 O ATOM 0 H GLU A 30 13.876 -11.626 1.250 1.00 0.00 H new ATOM 0 HA GLU A 30 15.615 -12.865 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.370 -14.885 3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.545 -13.480 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.815 -13.598 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.754 -14.603 1.588 1.00 0.00 H new ATOM 502 N LYS A 31 15.631 -13.005 0.273 1.00 0.00 N ATOM 503 CA LYS A 31 16.051 -13.531 -1.024 1.00 0.00 C ATOM 504 C LYS A 31 14.966 -14.416 -1.621 1.00 0.00 C ATOM 505 O LYS A 31 15.245 -15.462 -2.207 1.00 0.00 O ATOM 506 CB LYS A 31 17.367 -14.305 -0.899 1.00 0.00 C ATOM 507 CG LYS A 31 17.256 -15.585 -0.086 1.00 0.00 C ATOM 508 CD LYS A 31 18.515 -16.432 -0.203 1.00 0.00 C ATOM 509 CE LYS A 31 19.029 -16.859 1.161 1.00 0.00 C ATOM 510 NZ LYS A 31 19.152 -15.706 2.096 1.00 0.00 N ATOM 0 H LYS A 31 15.785 -12.003 0.387 1.00 0.00 H new ATOM 0 HA LYS A 31 16.215 -12.687 -1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 31 17.728 -14.551 -1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 31 18.115 -13.659 -0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 31 17.079 -15.338 0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 31 16.396 -16.161 -0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 31 18.306 -17.315 -0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 31 19.288 -15.866 -0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 31 18.354 -17.601 1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 31 20.001 -17.340 1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 19.995 -15.831 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 19.241 -14.825 1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 18.306 -15.656 2.699 1.00 0.00 H new ATOM 524 N LYS A 32 13.726 -13.976 -1.460 1.00 0.00 N ATOM 525 CA LYS A 32 12.575 -14.710 -1.973 1.00 0.00 C ATOM 526 C LYS A 32 12.725 -15.000 -3.464 1.00 0.00 C ATOM 527 O LYS A 32 12.860 -16.154 -3.870 1.00 0.00 O ATOM 528 CB LYS A 32 11.288 -13.921 -1.723 1.00 0.00 C ATOM 529 CG LYS A 32 10.023 -14.736 -1.936 1.00 0.00 C ATOM 530 CD LYS A 32 9.390 -14.444 -3.287 1.00 0.00 C ATOM 531 CE LYS A 32 7.875 -14.384 -3.190 1.00 0.00 C ATOM 532 NZ LYS A 32 7.246 -14.059 -4.501 1.00 0.00 N ATOM 0 H LYS A 32 13.489 -13.110 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 32 12.522 -15.661 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.297 -13.541 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.268 -13.055 -2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.258 -15.798 -1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.309 -14.514 -1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.769 -13.497 -3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.680 -15.216 -4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.496 -15.342 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.588 -13.633 -2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.212 -14.028 -4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.588 -13.133 -4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.498 -14.789 -5.198 1.00 0.00 H new ATOM 546 N LYS A 33 12.698 -13.946 -4.273 1.00 0.00 N ATOM 547 CA LYS A 33 12.830 -14.091 -5.718 1.00 0.00 C ATOM 548 C LYS A 33 13.159 -12.753 -6.373 1.00 0.00 C ATOM 549 O LYS A 33 12.300 -11.881 -6.493 1.00 0.00 O ATOM 550 CB LYS A 33 11.540 -14.660 -6.313 1.00 0.00 C ATOM 551 CG LYS A 33 11.605 -16.154 -6.586 1.00 0.00 C ATOM 552 CD LYS A 33 10.881 -16.519 -7.872 1.00 0.00 C ATOM 553 CE LYS A 33 9.398 -16.192 -7.788 1.00 0.00 C ATOM 554 NZ LYS A 33 8.586 -17.066 -8.680 1.00 0.00 N ATOM 0 H LYS A 33 12.586 -12.984 -3.953 1.00 0.00 H new ATOM 0 HA LYS A 33 13.650 -14.782 -5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.715 -14.459 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.317 -14.138 -7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.647 -16.467 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.162 -16.697 -5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.327 -15.980 -8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.009 -17.582 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.058 -16.308 -6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.240 -15.148 -8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.581 -16.812 -8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.893 -16.937 -9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.716 -18.060 -8.404 1.00 0.00 H new ATOM 568 N LEU A 34 14.410 -12.600 -6.796 1.00 0.00 N ATOM 569 CA LEU A 34 14.856 -11.371 -7.441 1.00 0.00 C ATOM 570 C LEU A 34 14.827 -11.517 -8.959 1.00 0.00 C ATOM 571 O LEU A 34 15.860 -11.731 -9.592 1.00 0.00 O ATOM 572 CB LEU A 34 16.268 -11.008 -6.978 1.00 0.00 C ATOM 573 CG LEU A 34 16.534 -11.214 -5.487 1.00 0.00 C ATOM 574 CD1 LEU A 34 17.948 -10.781 -5.132 1.00 0.00 C ATOM 575 CD2 LEU A 34 15.516 -10.449 -4.656 1.00 0.00 C ATOM 0 H LEU A 34 15.133 -13.313 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 34 14.173 -10.571 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 34 16.984 -11.603 -7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 34 16.457 -9.963 -7.224 1.00 0.00 H new ATOM 0 HG LEU A 34 16.435 -12.276 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.119 -10.935 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.664 -11.372 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.076 -9.725 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.719 -10.606 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.585 -9.386 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.513 -10.806 -4.890 1.00 0.00 H new ATOM 587 N SER A 35 13.636 -11.398 -9.538 1.00 0.00 N ATOM 588 CA SER A 35 13.474 -11.516 -10.982 1.00 0.00 C ATOM 589 C SER A 35 13.642 -10.162 -11.661 1.00 0.00 C ATOM 590 O SER A 35 13.601 -9.120 -11.008 1.00 0.00 O ATOM 591 CB SER A 35 12.101 -12.101 -11.316 1.00 0.00 C ATOM 592 OG SER A 35 12.013 -12.444 -12.689 1.00 0.00 O ATOM 0 H SER A 35 12.770 -11.220 -9.029 1.00 0.00 H new ATOM 0 HA SER A 35 14.247 -12.187 -11.355 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.920 -12.985 -10.705 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.324 -11.378 -11.068 1.00 0.00 H new ATOM 0 HG SER A 35 11.127 -12.817 -12.877 1.00 0.00 H new ATOM 598 N ASP A 36 13.830 -10.186 -12.976 1.00 0.00 N ATOM 599 CA ASP A 36 14.002 -8.960 -13.745 1.00 0.00 C ATOM 600 C ASP A 36 12.694 -8.539 -14.414 1.00 0.00 C ATOM 601 O ASP A 36 12.557 -7.403 -14.866 1.00 0.00 O ATOM 602 CB ASP A 36 15.091 -9.147 -14.803 1.00 0.00 C ATOM 603 CG ASP A 36 16.361 -9.743 -14.227 1.00 0.00 C ATOM 604 OD1 ASP A 36 16.934 -9.134 -13.298 1.00 0.00 O ATOM 605 OD2 ASP A 36 16.784 -10.817 -14.704 1.00 0.00 O ATOM 0 H ASP A 36 13.867 -11.041 -13.531 1.00 0.00 H new ATOM 0 HA ASP A 36 14.302 -8.171 -13.055 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.716 -9.794 -15.596 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.319 -8.184 -15.259 1.00 0.00 H new ATOM 610 N ASP A 37 11.735 -9.461 -14.476 1.00 0.00 N ATOM 611 CA ASP A 37 10.444 -9.177 -15.093 1.00 0.00 C ATOM 612 C ASP A 37 9.337 -9.100 -14.045 1.00 0.00 C ATOM 613 O ASP A 37 8.168 -9.338 -14.348 1.00 0.00 O ATOM 614 CB ASP A 37 10.106 -10.252 -16.129 1.00 0.00 C ATOM 615 CG ASP A 37 10.611 -9.900 -17.514 1.00 0.00 C ATOM 616 OD1 ASP A 37 10.154 -8.881 -18.072 1.00 0.00 O ATOM 617 OD2 ASP A 37 11.463 -10.646 -18.042 1.00 0.00 O ATOM 0 H ASP A 37 11.828 -10.407 -14.107 1.00 0.00 H new ATOM 0 HA ASP A 37 10.514 -8.208 -15.588 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.540 -11.202 -15.818 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.026 -10.392 -16.164 1.00 0.00 H new ATOM 622 N ASP A 38 9.710 -8.764 -12.813 1.00 0.00 N ATOM 623 CA ASP A 38 8.742 -8.656 -11.726 1.00 0.00 C ATOM 624 C ASP A 38 7.691 -7.597 -12.041 1.00 0.00 C ATOM 625 O ASP A 38 7.816 -6.855 -13.014 1.00 0.00 O ATOM 626 CB ASP A 38 9.452 -8.316 -10.415 1.00 0.00 C ATOM 627 CG ASP A 38 8.736 -8.888 -9.206 1.00 0.00 C ATOM 628 OD1 ASP A 38 8.339 -10.071 -9.257 1.00 0.00 O ATOM 629 OD2 ASP A 38 8.574 -8.154 -8.210 1.00 0.00 O ATOM 0 H ASP A 38 10.673 -8.562 -12.543 1.00 0.00 H new ATOM 0 HA ASP A 38 8.242 -9.618 -11.619 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.471 -8.701 -10.446 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.523 -7.233 -10.313 1.00 0.00 H new ATOM 634 N GLU A 39 6.653 -7.532 -11.212 1.00 0.00 N ATOM 635 CA GLU A 39 5.581 -6.563 -11.410 1.00 0.00 C ATOM 636 C GLU A 39 4.856 -6.266 -10.101 1.00 0.00 C ATOM 637 O GLU A 39 4.235 -7.148 -9.507 1.00 0.00 O ATOM 638 CB GLU A 39 4.586 -7.078 -12.451 1.00 0.00 C ATOM 639 CG GLU A 39 4.886 -6.606 -13.865 1.00 0.00 C ATOM 640 CD GLU A 39 3.721 -6.824 -14.811 1.00 0.00 C ATOM 641 OE1 GLU A 39 3.240 -7.973 -14.904 1.00 0.00 O ATOM 642 OE2 GLU A 39 3.291 -5.846 -15.459 1.00 0.00 O ATOM 0 H GLU A 39 6.532 -8.137 -10.400 1.00 0.00 H new ATOM 0 HA GLU A 39 6.030 -5.637 -11.770 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.586 -8.168 -12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.583 -6.754 -12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.139 -5.546 -13.844 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.761 -7.135 -14.243 1.00 0.00 H new ATOM 649 N ILE A 40 4.935 -5.014 -9.662 1.00 0.00 N ATOM 650 CA ILE A 40 4.284 -4.587 -8.430 1.00 0.00 C ATOM 651 C ILE A 40 3.610 -3.233 -8.620 1.00 0.00 C ATOM 652 O ILE A 40 3.932 -2.499 -9.555 1.00 0.00 O ATOM 653 CB ILE A 40 5.290 -4.493 -7.267 1.00 0.00 C ATOM 654 CG1 ILE A 40 6.148 -5.759 -7.202 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.558 -4.271 -5.951 1.00 0.00 C ATOM 656 CD1 ILE A 40 7.135 -5.766 -6.055 1.00 0.00 C ATOM 0 H ILE A 40 5.446 -4.275 -10.144 1.00 0.00 H new ATOM 0 HA ILE A 40 3.532 -5.337 -8.184 1.00 0.00 H new ATOM 0 HB ILE A 40 5.948 -3.642 -7.442 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.494 -6.626 -7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.693 -5.866 -8.140 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.282 -4.207 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.988 -3.343 -6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.879 -5.104 -5.767 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.707 -6.694 -6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.814 -4.919 -6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.596 -5.691 -5.111 1.00 0.00 H new ATOM 668 N ALA A 41 2.670 -2.903 -7.740 1.00 0.00 N ATOM 669 CA ALA A 41 1.961 -1.633 -7.835 1.00 0.00 C ATOM 670 C ALA A 41 1.474 -1.151 -6.472 1.00 0.00 C ATOM 671 O ALA A 41 0.966 -1.933 -5.668 1.00 0.00 O ATOM 672 CB ALA A 41 0.789 -1.761 -8.797 1.00 0.00 C ATOM 0 H ALA A 41 2.383 -3.493 -6.959 1.00 0.00 H new ATOM 0 HA ALA A 41 2.662 -0.890 -8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.265 -0.807 -8.861 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.157 -2.040 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.104 -2.528 -8.435 1.00 0.00 H new ATOM 678 N ILE A 42 1.627 0.147 -6.226 1.00 0.00 N ATOM 679 CA ILE A 42 1.197 0.749 -4.969 1.00 0.00 C ATOM 680 C ILE A 42 -0.021 1.638 -5.191 1.00 0.00 C ATOM 681 O ILE A 42 -0.010 2.514 -6.057 1.00 0.00 O ATOM 682 CB ILE A 42 2.321 1.585 -4.329 1.00 0.00 C ATOM 683 CG1 ILE A 42 3.630 0.793 -4.307 1.00 0.00 C ATOM 684 CG2 ILE A 42 1.928 2.011 -2.921 1.00 0.00 C ATOM 685 CD1 ILE A 42 3.575 -0.443 -3.436 1.00 0.00 C ATOM 0 H ILE A 42 2.047 0.804 -6.884 1.00 0.00 H new ATOM 0 HA ILE A 42 0.939 -0.066 -4.293 1.00 0.00 H new ATOM 0 HB ILE A 42 2.473 2.481 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.884 0.499 -5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.431 1.441 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.732 2.601 -2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.019 2.611 -2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.751 1.126 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.537 -0.954 -3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.352 -0.155 -2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.796 -1.112 -3.802 1.00 0.00 H new ATOM 697 N ILE A 43 -1.076 1.402 -4.418 1.00 0.00 N ATOM 698 CA ILE A 43 -2.302 2.179 -4.550 1.00 0.00 C ATOM 699 C ILE A 43 -2.540 3.071 -3.335 1.00 0.00 C ATOM 700 O ILE A 43 -2.613 2.594 -2.203 1.00 0.00 O ATOM 701 CB ILE A 43 -3.524 1.263 -4.748 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.249 0.242 -5.855 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.758 2.090 -5.078 1.00 0.00 C ATOM 704 CD1 ILE A 43 -4.398 -0.713 -6.095 1.00 0.00 C ATOM 0 H ILE A 43 -1.106 0.682 -3.696 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.176 2.810 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.710 0.724 -3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.029 0.773 -6.781 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.359 -0.331 -5.597 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.613 1.428 -5.215 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.962 2.782 -4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.584 2.653 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.133 -1.408 -6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.605 -1.271 -5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.285 -0.150 -6.385 1.00 0.00 H new ATOM 716 N SER A 44 -2.674 4.369 -3.588 1.00 0.00 N ATOM 717 CA SER A 44 -2.918 5.341 -2.528 1.00 0.00 C ATOM 718 C SER A 44 -4.089 6.243 -2.906 1.00 0.00 C ATOM 719 O SER A 44 -4.254 6.599 -4.072 1.00 0.00 O ATOM 720 CB SER A 44 -1.665 6.182 -2.274 1.00 0.00 C ATOM 721 OG SER A 44 -0.519 5.583 -2.855 1.00 0.00 O ATOM 0 H SER A 44 -2.617 4.774 -4.523 1.00 0.00 H new ATOM 0 HA SER A 44 -3.165 4.804 -1.612 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.805 7.181 -2.686 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.513 6.298 -1.201 1.00 0.00 H new ATOM 0 HG SER A 44 0.274 5.816 -2.329 1.00 0.00 H new ATOM 727 N ILE A 45 -4.907 6.603 -1.922 1.00 0.00 N ATOM 728 CA ILE A 45 -6.065 7.454 -2.177 1.00 0.00 C ATOM 729 C ILE A 45 -6.349 8.384 -1.002 1.00 0.00 C ATOM 730 O ILE A 45 -7.379 8.266 -0.337 1.00 0.00 O ATOM 731 CB ILE A 45 -7.325 6.612 -2.469 1.00 0.00 C ATOM 732 CG1 ILE A 45 -7.027 5.555 -3.533 1.00 0.00 C ATOM 733 CG2 ILE A 45 -8.471 7.509 -2.913 1.00 0.00 C ATOM 734 CD1 ILE A 45 -6.368 4.309 -2.981 1.00 0.00 C ATOM 0 H ILE A 45 -4.792 6.322 -0.948 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.823 8.055 -3.053 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.621 6.102 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.958 5.275 -4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.381 5.991 -4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.352 6.900 -3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.698 8.226 -2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.184 8.044 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.186 3.604 -3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.420 4.576 -2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.022 3.849 -2.240 1.00 0.00 H new ATOM 746 N LYS A 46 -5.430 9.312 -0.753 1.00 0.00 N ATOM 747 CA LYS A 46 -5.580 10.267 0.342 1.00 0.00 C ATOM 748 C LYS A 46 -6.010 9.568 1.628 1.00 0.00 C ATOM 749 O LYS A 46 -6.686 10.157 2.472 1.00 0.00 O ATOM 750 CB LYS A 46 -6.600 11.345 -0.030 1.00 0.00 C ATOM 751 CG LYS A 46 -6.684 12.478 0.982 1.00 0.00 C ATOM 752 CD LYS A 46 -8.123 12.755 1.399 1.00 0.00 C ATOM 753 CE LYS A 46 -8.358 12.434 2.868 1.00 0.00 C ATOM 754 NZ LYS A 46 -8.826 13.626 3.628 1.00 0.00 N ATOM 0 H LYS A 46 -4.573 9.424 -1.294 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.610 10.734 0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.341 11.758 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.583 10.885 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.092 12.225 1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.249 13.381 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.360 13.803 1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.800 12.162 0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.097 11.637 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.434 12.061 3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.975 13.366 4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.110 14.378 3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.721 13.967 3.222 1.00 0.00 H new ATOM 768 N GLY A 47 -5.613 8.308 1.774 1.00 0.00 N ATOM 769 CA GLY A 47 -5.966 7.553 2.961 1.00 0.00 C ATOM 770 C GLY A 47 -5.118 7.934 4.157 1.00 0.00 C ATOM 771 O GLY A 47 -4.461 7.083 4.755 1.00 0.00 O ATOM 0 H GLY A 47 -5.053 7.797 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.017 7.720 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.849 6.488 2.760 1.00 0.00 H new ATOM 775 N THR A 48 -5.128 9.219 4.506 1.00 0.00 N ATOM 776 CA THR A 48 -4.347 9.713 5.635 1.00 0.00 C ATOM 777 C THR A 48 -2.918 9.181 5.576 1.00 0.00 C ATOM 778 O THR A 48 -2.528 8.327 6.373 1.00 0.00 O ATOM 779 CB THR A 48 -5.010 9.308 6.954 1.00 0.00 C ATOM 780 OG1 THR A 48 -5.302 7.922 6.965 1.00 0.00 O ATOM 781 CG2 THR A 48 -6.301 10.052 7.224 1.00 0.00 C ATOM 0 H THR A 48 -5.669 9.936 4.022 1.00 0.00 H new ATOM 0 HA THR A 48 -4.310 10.801 5.579 1.00 0.00 H new ATOM 0 HB THR A 48 -4.290 9.564 7.731 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.530 7.422 6.627 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.721 9.719 8.173 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.101 11.122 7.271 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.012 9.850 6.422 1.00 0.00 H new ATOM 789 N GLN A 49 -2.147 9.686 4.615 1.00 0.00 N ATOM 790 CA GLN A 49 -0.760 9.265 4.428 1.00 0.00 C ATOM 791 C GLN A 49 -0.636 7.744 4.491 1.00 0.00 C ATOM 792 O GLN A 49 0.171 7.207 5.251 1.00 0.00 O ATOM 793 CB GLN A 49 0.146 9.917 5.477 1.00 0.00 C ATOM 794 CG GLN A 49 -0.216 9.564 6.910 1.00 0.00 C ATOM 795 CD GLN A 49 0.870 9.944 7.896 1.00 0.00 C ATOM 796 OE1 GLN A 49 1.147 11.125 8.107 1.00 0.00 O ATOM 797 NE2 GLN A 49 1.494 8.942 8.503 1.00 0.00 N ATOM 0 H GLN A 49 -2.462 10.392 3.950 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.440 9.592 3.439 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.177 9.617 5.289 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.102 11.000 5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.142 10.070 7.182 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.406 8.493 6.979 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.231 7.978 8.297 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.236 9.136 9.175 1.00 0.00 H new ATOM 806 N SER A 50 -1.441 7.054 3.688 1.00 0.00 N ATOM 807 CA SER A 50 -1.422 5.597 3.656 1.00 0.00 C ATOM 808 C SER A 50 -1.690 5.081 2.247 1.00 0.00 C ATOM 809 O SER A 50 -2.318 5.760 1.434 1.00 0.00 O ATOM 810 CB SER A 50 -2.460 5.030 4.626 1.00 0.00 C ATOM 811 OG SER A 50 -1.987 3.846 5.245 1.00 0.00 O ATOM 0 H SER A 50 -2.114 7.481 3.052 1.00 0.00 H new ATOM 0 HA SER A 50 -0.430 5.265 3.963 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.695 5.773 5.388 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.386 4.819 4.091 1.00 0.00 H new ATOM 0 HG SER A 50 -2.668 3.505 5.861 1.00 0.00 H new ATOM 817 N ASN A 51 -1.209 3.875 1.964 1.00 0.00 N ATOM 818 CA ASN A 51 -1.396 3.266 0.653 1.00 0.00 C ATOM 819 C ASN A 51 -1.479 1.747 0.769 1.00 0.00 C ATOM 820 O ASN A 51 -1.440 1.196 1.869 1.00 0.00 O ATOM 821 CB ASN A 51 -0.252 3.658 -0.285 1.00 0.00 C ATOM 822 CG ASN A 51 1.107 3.531 0.375 1.00 0.00 C ATOM 823 OD1 ASN A 51 1.777 2.409 0.138 1.00 0.00 O flip ATOM 824 ND2 ASN A 51 1.551 4.431 1.088 1.00 0.00 N flip ATOM 0 H ASN A 51 -0.687 3.300 2.625 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.335 3.634 0.239 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.282 3.027 -1.173 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.396 4.685 -0.619 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.002 5.277 1.243 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.468 4.331 1.524 1.00 0.00 H new ATOM 831 N HIS A 52 -1.594 1.074 -0.372 1.00 0.00 N ATOM 832 CA HIS A 52 -1.683 -0.382 -0.395 1.00 0.00 C ATOM 833 C HIS A 52 -0.606 -0.981 -1.294 1.00 0.00 C ATOM 834 O HIS A 52 -0.432 -0.556 -2.437 1.00 0.00 O ATOM 835 CB HIS A 52 -3.067 -0.820 -0.875 1.00 0.00 C ATOM 836 CG HIS A 52 -4.191 -0.072 -0.228 1.00 0.00 C ATOM 837 ND1 HIS A 52 -4.467 -0.146 1.121 1.00 0.00 N ATOM 838 CD2 HIS A 52 -5.111 0.771 -0.753 1.00 0.00 C ATOM 839 CE1 HIS A 52 -5.510 0.618 1.398 1.00 0.00 C ATOM 840 NE2 HIS A 52 -5.918 1.185 0.277 1.00 0.00 N ATOM 0 H HIS A 52 -1.628 1.513 -1.292 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.525 -0.747 0.620 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.127 -0.686 -1.955 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.190 -1.885 -0.679 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -5.194 1.063 -1.789 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.952 0.755 2.374 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -6.706 1.827 0.191 1.00 0.00 H new ATOM 849 N VAL A 53 0.111 -1.970 -0.773 1.00 0.00 N ATOM 850 CA VAL A 53 1.170 -2.629 -1.530 1.00 0.00 C ATOM 851 C VAL A 53 0.752 -4.039 -1.935 1.00 0.00 C ATOM 852 O VAL A 53 0.831 -4.974 -1.137 1.00 0.00 O ATOM 853 CB VAL A 53 2.478 -2.705 -0.718 1.00 0.00 C ATOM 854 CG1 VAL A 53 3.610 -3.252 -1.577 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.838 -1.337 -0.156 1.00 0.00 C ATOM 0 H VAL A 53 -0.021 -2.334 0.171 1.00 0.00 H new ATOM 0 HA VAL A 53 1.343 -2.031 -2.424 1.00 0.00 H new ATOM 0 HB VAL A 53 2.326 -3.387 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.525 -3.298 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.352 -4.252 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.765 -2.598 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.764 -1.410 0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.971 -0.631 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.037 -0.989 0.496 1.00 0.00 H new ATOM 865 N LEU A 54 0.306 -4.186 -3.179 1.00 0.00 N ATOM 866 CA LEU A 54 -0.125 -5.483 -3.687 1.00 0.00 C ATOM 867 C LEU A 54 0.863 -6.024 -4.716 1.00 0.00 C ATOM 868 O LEU A 54 1.462 -5.263 -5.478 1.00 0.00 O ATOM 869 CB LEU A 54 -1.521 -5.372 -4.307 1.00 0.00 C ATOM 870 CG LEU A 54 -2.649 -5.988 -3.478 1.00 0.00 C ATOM 871 CD1 LEU A 54 -2.641 -5.430 -2.064 1.00 0.00 C ATOM 872 CD2 LEU A 54 -3.994 -5.739 -4.145 1.00 0.00 C ATOM 0 H LEU A 54 0.234 -3.424 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.161 -6.179 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.746 -4.318 -4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.506 -5.852 -5.286 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.486 -7.064 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.451 -5.881 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.688 -5.659 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.779 -4.349 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.787 -6.183 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.163 -4.666 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.997 -6.189 -5.138 1.00 0.00 H new ATOM 884 N PHE A 55 1.028 -7.343 -4.731 1.00 0.00 N ATOM 885 CA PHE A 55 1.942 -7.989 -5.666 1.00 0.00 C ATOM 886 C PHE A 55 1.178 -8.566 -6.855 1.00 0.00 C ATOM 887 O PHE A 55 0.160 -9.238 -6.685 1.00 0.00 O ATOM 888 CB PHE A 55 2.730 -9.096 -4.959 1.00 0.00 C ATOM 889 CG PHE A 55 3.622 -9.888 -5.876 1.00 0.00 C ATOM 890 CD1 PHE A 55 4.357 -9.256 -6.868 1.00 0.00 C ATOM 891 CD2 PHE A 55 3.724 -11.264 -5.746 1.00 0.00 C ATOM 892 CE1 PHE A 55 5.176 -9.983 -7.711 1.00 0.00 C ATOM 893 CE2 PHE A 55 4.542 -11.995 -6.586 1.00 0.00 C ATOM 894 CZ PHE A 55 5.268 -11.354 -7.570 1.00 0.00 C ATOM 0 H PHE A 55 0.541 -7.985 -4.106 1.00 0.00 H new ATOM 0 HA PHE A 55 2.641 -7.239 -6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.338 -8.650 -4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.029 -9.775 -4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.289 -8.184 -6.983 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.157 -11.771 -4.979 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.744 -9.480 -8.480 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.613 -13.067 -6.473 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.907 -11.924 -8.229 1.00 0.00 H new ATOM 904 N LEU A 56 1.676 -8.300 -8.058 1.00 0.00 N ATOM 905 CA LEU A 56 1.040 -8.794 -9.274 1.00 0.00 C ATOM 906 C LEU A 56 1.875 -9.897 -9.916 1.00 0.00 C ATOM 907 O LEU A 56 3.076 -9.733 -10.136 1.00 0.00 O ATOM 908 CB LEU A 56 0.836 -7.650 -10.269 1.00 0.00 C ATOM 909 CG LEU A 56 0.259 -6.366 -9.670 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.433 -5.201 -10.633 1.00 0.00 C ATOM 911 CD2 LEU A 56 -1.209 -6.557 -9.320 1.00 0.00 C ATOM 0 H LEU A 56 2.517 -7.746 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 56 0.069 -9.209 -9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.794 -7.417 -10.733 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.172 -7.993 -11.063 1.00 0.00 H new ATOM 0 HG LEU A 56 0.805 -6.137 -8.755 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.016 -4.297 -10.189 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.494 -5.051 -10.835 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.086 -5.420 -11.566 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.605 -5.635 -8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.768 -6.810 -10.221 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.308 -7.363 -8.593 1.00 0.00 H new ATOM 923 N SER A 57 1.233 -11.022 -10.214 1.00 0.00 N ATOM 924 CA SER A 57 1.918 -12.152 -10.832 1.00 0.00 C ATOM 925 C SER A 57 1.699 -12.162 -12.341 1.00 0.00 C ATOM 926 O SER A 57 1.594 -13.224 -12.955 1.00 0.00 O ATOM 927 CB SER A 57 1.427 -13.467 -10.224 1.00 0.00 C ATOM 928 OG SER A 57 0.080 -13.361 -9.797 1.00 0.00 O ATOM 0 H SER A 57 0.240 -11.176 -10.038 1.00 0.00 H new ATOM 0 HA SER A 57 2.986 -12.047 -10.639 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.517 -14.267 -10.959 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.059 -13.739 -9.379 1.00 0.00 H new ATOM 0 HG SER A 57 -0.210 -14.215 -9.414 1.00 0.00 H new ATOM 934 N SER A 58 1.632 -10.973 -12.933 1.00 0.00 N ATOM 935 CA SER A 58 1.427 -10.841 -14.371 1.00 0.00 C ATOM 936 C SER A 58 0.073 -11.412 -14.785 1.00 0.00 C ATOM 937 O SER A 58 -0.318 -12.492 -14.343 1.00 0.00 O ATOM 938 CB SER A 58 2.550 -11.545 -15.137 1.00 0.00 C ATOM 939 OG SER A 58 2.263 -12.922 -15.320 1.00 0.00 O ATOM 0 H SER A 58 1.717 -10.086 -12.437 1.00 0.00 H new ATOM 0 HA SER A 58 1.442 -9.779 -14.617 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.686 -11.067 -16.107 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.488 -11.436 -14.593 1.00 0.00 H new ATOM 0 HG SER A 58 1.739 -13.251 -14.560 1.00 0.00 H new ATOM 945 N TYR A 59 -0.636 -10.680 -15.638 1.00 0.00 N ATOM 946 CA TYR A 59 -1.945 -11.116 -16.113 1.00 0.00 C ATOM 947 C TYR A 59 -2.323 -10.413 -17.413 1.00 0.00 C ATOM 948 O TYR A 59 -3.504 -10.214 -17.698 1.00 0.00 O ATOM 949 CB TYR A 59 -3.017 -10.855 -15.049 1.00 0.00 C ATOM 950 CG TYR A 59 -2.862 -9.541 -14.310 1.00 0.00 C ATOM 951 CD1 TYR A 59 -2.202 -8.459 -14.885 1.00 0.00 C ATOM 952 CD2 TYR A 59 -3.384 -9.383 -13.032 1.00 0.00 C ATOM 953 CE1 TYR A 59 -2.066 -7.262 -14.206 1.00 0.00 C ATOM 954 CE2 TYR A 59 -3.253 -8.189 -12.347 1.00 0.00 C ATOM 955 CZ TYR A 59 -2.593 -7.132 -12.937 1.00 0.00 C ATOM 956 OH TYR A 59 -2.459 -5.943 -12.259 1.00 0.00 O ATOM 0 H TYR A 59 -0.327 -9.784 -16.014 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.887 -12.187 -16.306 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.997 -10.876 -15.526 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.998 -11.669 -14.325 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.789 -8.556 -15.878 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.902 -10.208 -12.565 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.550 -6.433 -14.667 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.666 -8.085 -11.354 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.224 -5.364 -12.460 1.00 0.00 H new ATOM 966 N ASN A 60 -1.311 -10.040 -18.196 1.00 0.00 N ATOM 967 CA ASN A 60 -1.527 -9.359 -19.473 1.00 0.00 C ATOM 968 C ASN A 60 -2.560 -8.241 -19.342 1.00 0.00 C ATOM 969 O ASN A 60 -2.959 -7.877 -18.236 1.00 0.00 O ATOM 970 CB ASN A 60 -1.967 -10.362 -20.545 1.00 0.00 C ATOM 971 CG ASN A 60 -3.347 -10.933 -20.284 1.00 0.00 C ATOM 972 OD1 ASN A 60 -3.495 -11.934 -19.583 1.00 0.00 O ATOM 973 ND2 ASN A 60 -4.368 -10.299 -20.850 1.00 0.00 N ATOM 0 H ASN A 60 -0.330 -10.199 -17.967 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.581 -8.909 -19.773 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.960 -9.873 -21.519 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.245 -11.177 -20.592 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.320 -10.639 -20.711 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.200 -9.473 -21.424 1.00 0.00 H new ATOM 980 N SER A 61 -2.988 -7.701 -20.478 1.00 0.00 N ATOM 981 CA SER A 61 -3.974 -6.627 -20.491 1.00 0.00 C ATOM 982 C SER A 61 -5.382 -7.187 -20.662 1.00 0.00 C ATOM 983 O SER A 61 -5.628 -8.017 -21.537 1.00 0.00 O ATOM 984 CB SER A 61 -3.665 -5.637 -21.617 1.00 0.00 C ATOM 985 OG SER A 61 -2.953 -6.266 -22.668 1.00 0.00 O ATOM 0 H SER A 61 -2.667 -7.990 -21.402 1.00 0.00 H new ATOM 0 HA SER A 61 -3.922 -6.106 -19.535 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.595 -5.219 -22.003 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.080 -4.805 -21.224 1.00 0.00 H new ATOM 0 HG SER A 61 -2.769 -5.613 -23.375 1.00 0.00 H new ATOM 991 N VAL A 62 -6.302 -6.727 -19.822 1.00 0.00 N ATOM 992 CA VAL A 62 -7.686 -7.183 -19.880 1.00 0.00 C ATOM 993 C VAL A 62 -8.539 -6.485 -18.824 1.00 0.00 C ATOM 994 O VAL A 62 -8.018 -5.936 -17.855 1.00 0.00 O ATOM 995 CB VAL A 62 -7.782 -8.712 -19.692 1.00 0.00 C ATOM 996 CG1 VAL A 62 -7.275 -9.123 -18.315 1.00 0.00 C ATOM 997 CG2 VAL A 62 -9.210 -9.190 -19.909 1.00 0.00 C ATOM 0 H VAL A 62 -6.115 -6.039 -19.093 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.066 -6.927 -20.869 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.147 -9.187 -20.439 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.353 -10.205 -18.207 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.233 -8.821 -18.206 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.876 -8.637 -17.546 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.257 -10.270 -19.772 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.870 -8.704 -19.190 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.528 -8.938 -20.921 1.00 0.00 H new ATOM 1007 N ASP A 63 -9.854 -6.508 -19.023 1.00 0.00 N ATOM 1008 CA ASP A 63 -10.786 -5.878 -18.092 1.00 0.00 C ATOM 1009 C ASP A 63 -10.566 -6.364 -16.661 1.00 0.00 C ATOM 1010 O ASP A 63 -10.932 -5.683 -15.703 1.00 0.00 O ATOM 1011 CB ASP A 63 -12.228 -6.160 -18.519 1.00 0.00 C ATOM 1012 CG ASP A 63 -12.552 -7.641 -18.515 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -12.868 -8.177 -17.433 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -12.489 -8.265 -19.595 1.00 0.00 O ATOM 0 H ASP A 63 -10.299 -6.957 -19.823 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.602 -4.804 -18.115 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.911 -5.639 -17.848 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.394 -5.757 -19.518 1.00 0.00 H new ATOM 1019 N GLU A 64 -9.967 -7.544 -16.518 1.00 0.00 N ATOM 1020 CA GLU A 64 -9.704 -8.110 -15.202 1.00 0.00 C ATOM 1021 C GLU A 64 -8.813 -7.185 -14.381 1.00 0.00 C ATOM 1022 O GLU A 64 -9.127 -6.858 -13.237 1.00 0.00 O ATOM 1023 CB GLU A 64 -9.045 -9.484 -15.336 1.00 0.00 C ATOM 1024 CG GLU A 64 -9.988 -10.563 -15.842 1.00 0.00 C ATOM 1025 CD GLU A 64 -10.678 -11.310 -14.716 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -9.969 -11.909 -13.880 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -11.927 -11.296 -14.673 1.00 0.00 O ATOM 0 H GLU A 64 -9.656 -8.124 -17.297 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.657 -8.221 -14.685 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.197 -9.406 -16.016 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.649 -9.784 -14.366 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.741 -10.109 -16.487 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.429 -11.271 -16.454 1.00 0.00 H new ATOM 1034 N ILE A 65 -7.701 -6.766 -14.975 1.00 0.00 N ATOM 1035 CA ILE A 65 -6.763 -5.879 -14.299 1.00 0.00 C ATOM 1036 C ILE A 65 -7.394 -4.517 -14.014 1.00 0.00 C ATOM 1037 O ILE A 65 -6.976 -3.811 -13.097 1.00 0.00 O ATOM 1038 CB ILE A 65 -5.478 -5.683 -15.128 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -5.793 -5.005 -16.464 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -4.795 -7.021 -15.361 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -4.740 -4.008 -16.898 1.00 0.00 C ATOM 0 H ILE A 65 -7.428 -7.026 -15.923 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.504 -6.355 -13.353 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.802 -5.036 -14.569 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.898 -5.769 -17.234 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.754 -4.496 -16.387 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.889 -6.870 -15.948 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.536 -7.469 -14.402 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.470 -7.685 -15.901 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.028 -3.566 -17.852 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.651 -3.223 -16.147 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.782 -4.516 -17.008 1.00 0.00 H new ATOM 1053 N ARG A 66 -8.402 -4.156 -14.803 1.00 0.00 N ATOM 1054 CA ARG A 66 -9.087 -2.881 -14.628 1.00 0.00 C ATOM 1055 C ARG A 66 -10.061 -2.949 -13.456 1.00 0.00 C ATOM 1056 O ARG A 66 -10.257 -1.967 -12.740 1.00 0.00 O ATOM 1057 CB ARG A 66 -9.833 -2.497 -15.909 1.00 0.00 C ATOM 1058 CG ARG A 66 -9.604 -1.055 -16.335 1.00 0.00 C ATOM 1059 CD ARG A 66 -10.867 -0.219 -16.196 1.00 0.00 C ATOM 1060 NE ARG A 66 -11.754 -0.367 -17.351 1.00 0.00 N ATOM 1061 CZ ARG A 66 -12.853 -1.122 -17.361 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -13.209 -1.814 -16.286 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -13.598 -1.189 -18.456 1.00 0.00 N ATOM 0 H ARG A 66 -8.761 -4.727 -15.568 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.339 -2.118 -14.413 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.519 -3.160 -16.715 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.901 -2.659 -15.761 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.810 -0.618 -15.729 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.264 -1.031 -17.370 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.398 -0.513 -15.291 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.596 0.830 -16.079 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.516 0.140 -18.203 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.640 -1.772 -15.441 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.052 -2.388 -16.305 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.330 -0.664 -19.288 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.439 -1.766 -18.466 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.666 -4.117 -13.267 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.619 -4.320 -12.182 1.00 0.00 C ATOM 1079 C LYS A 67 -10.900 -4.732 -10.900 1.00 0.00 C ATOM 1080 O LYS A 67 -11.278 -4.316 -9.804 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.648 -5.384 -12.572 1.00 0.00 C ATOM 1082 CG LYS A 67 -14.072 -5.028 -12.178 1.00 0.00 C ATOM 1083 CD LYS A 67 -15.074 -5.500 -13.221 1.00 0.00 C ATOM 1084 CE LYS A 67 -16.386 -4.737 -13.121 1.00 0.00 C ATOM 1085 NZ LYS A 67 -17.205 -5.190 -11.963 1.00 0.00 N ATOM 0 H LYS A 67 -10.513 -4.938 -13.852 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.135 -3.377 -12.001 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.606 -5.539 -13.650 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.376 -6.330 -12.103 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.308 -5.480 -11.215 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.157 -3.949 -12.053 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.652 -5.370 -14.217 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.261 -6.566 -13.091 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.180 -3.671 -13.025 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.954 -4.870 -14.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.091 -4.646 -11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.424 -6.201 -12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.673 -5.040 -11.082 1.00 0.00 H new ATOM 1099 N GLU A 68 -9.863 -5.550 -11.046 1.00 0.00 N ATOM 1100 CA GLU A 68 -9.091 -6.015 -9.899 1.00 0.00 C ATOM 1101 C GLU A 68 -8.461 -4.842 -9.159 1.00 0.00 C ATOM 1102 O GLU A 68 -8.673 -4.665 -7.959 1.00 0.00 O ATOM 1103 CB GLU A 68 -8.004 -6.994 -10.348 1.00 0.00 C ATOM 1104 CG GLU A 68 -7.676 -8.056 -9.311 1.00 0.00 C ATOM 1105 CD GLU A 68 -6.202 -8.089 -8.951 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -5.555 -7.021 -9.000 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -5.698 -9.181 -8.617 1.00 0.00 O ATOM 0 H GLU A 68 -9.538 -5.904 -11.946 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.771 -6.529 -9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.325 -7.483 -11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.098 -6.435 -10.583 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.262 -7.871 -8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.975 -9.033 -9.691 1.00 0.00 H new ATOM 1114 N LEU A 69 -7.687 -4.040 -9.883 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.028 -2.881 -9.294 1.00 0.00 C ATOM 1116 C LEU A 69 -8.055 -1.863 -8.812 1.00 0.00 C ATOM 1117 O LEU A 69 -8.010 -1.418 -7.665 1.00 0.00 O ATOM 1118 CB LEU A 69 -6.081 -2.235 -10.309 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.601 -2.576 -10.124 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.398 -4.083 -10.109 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.765 -1.935 -11.221 1.00 0.00 C ATOM 0 H LEU A 69 -7.501 -4.172 -10.877 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.448 -3.218 -8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.385 -2.538 -11.311 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.198 -1.153 -10.254 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.273 -2.176 -9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.339 -4.306 -9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.966 -4.519 -9.287 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.743 -4.506 -11.053 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.715 -2.188 -11.073 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.094 -2.304 -12.192 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.886 -0.852 -11.185 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.986 -1.503 -9.691 1.00 0.00 N ATOM 1134 CA GLU A 70 -10.027 -0.543 -9.343 1.00 0.00 C ATOM 1135 C GLU A 70 -10.797 -1.011 -8.113 1.00 0.00 C ATOM 1136 O GLU A 70 -11.275 -0.200 -7.320 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.985 -0.346 -10.520 1.00 0.00 C ATOM 1138 CG GLU A 70 -11.962 0.802 -10.321 1.00 0.00 C ATOM 1139 CD GLU A 70 -11.445 2.109 -10.888 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -10.505 2.682 -10.298 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -11.981 2.562 -11.921 1.00 0.00 O ATOM 0 H GLU A 70 -9.040 -1.860 -10.645 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.551 0.411 -9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.404 -0.166 -11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.546 -1.267 -10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.911 0.554 -10.796 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.161 0.925 -9.256 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.902 -2.327 -7.959 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.602 -2.909 -6.823 1.00 0.00 C ATOM 1150 C GLU A 71 -10.858 -2.605 -5.527 1.00 0.00 C ATOM 1151 O GLU A 71 -11.465 -2.233 -4.522 1.00 0.00 O ATOM 1152 CB GLU A 71 -11.745 -4.423 -7.004 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.055 -4.836 -7.656 1.00 0.00 C ATOM 1154 CD GLU A 71 -14.162 -5.067 -6.646 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -13.845 -5.275 -5.456 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -15.346 -5.040 -7.044 1.00 0.00 O ATOM 0 H GLU A 71 -10.510 -3.010 -8.608 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.597 -2.466 -6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.916 -4.788 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.665 -4.906 -6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.366 -4.064 -8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.898 -5.748 -8.232 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.538 -2.761 -5.560 1.00 0.00 N ATOM 1164 CA ALA A 72 -8.710 -2.498 -4.390 1.00 0.00 C ATOM 1165 C ALA A 72 -8.504 -1.000 -4.190 1.00 0.00 C ATOM 1166 O ALA A 72 -8.258 -0.541 -3.075 1.00 0.00 O ATOM 1167 CB ALA A 72 -7.370 -3.206 -4.523 1.00 0.00 C ATOM 0 H ALA A 72 -9.020 -3.068 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.227 -2.887 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.761 -3.001 -3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.533 -4.280 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.854 -2.845 -5.413 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.609 -0.242 -5.278 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.432 1.197 -5.199 1.00 0.00 C ATOM 1175 C GLY A 73 -9.387 1.846 -4.216 1.00 0.00 C ATOM 1176 O GLY A 73 -8.959 2.489 -3.259 1.00 0.00 O ATOM 0 H GLY A 73 -8.813 -0.598 -6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.406 1.418 -4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.581 1.633 -6.187 1.00 0.00 H new ATOM 1180 N ALA A 74 -10.684 1.680 -4.452 1.00 0.00 N ATOM 1181 CA ALA A 74 -11.693 2.258 -3.574 1.00 0.00 C ATOM 1182 C ALA A 74 -13.096 1.809 -3.974 1.00 0.00 C ATOM 1183 O ALA A 74 -13.964 2.632 -4.269 1.00 0.00 O ATOM 1184 CB ALA A 74 -11.596 3.774 -3.592 1.00 0.00 C ATOM 0 H ALA A 74 -11.059 1.152 -5.240 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.505 1.903 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.355 4.195 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.607 4.079 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.756 4.137 -4.607 1.00 0.00 H new ATOM 1190 N LYS A 75 -13.309 0.499 -3.977 1.00 0.00 N ATOM 1191 CA LYS A 75 -14.606 -0.064 -4.337 1.00 0.00 C ATOM 1192 C LYS A 75 -15.444 -0.344 -3.092 1.00 0.00 C ATOM 1193 O LYS A 75 -14.992 -0.131 -1.967 1.00 0.00 O ATOM 1194 CB LYS A 75 -14.421 -1.350 -5.144 1.00 0.00 C ATOM 1195 CG LYS A 75 -15.190 -1.361 -6.456 1.00 0.00 C ATOM 1196 CD LYS A 75 -14.439 -0.616 -7.548 1.00 0.00 C ATOM 1197 CE LYS A 75 -15.355 -0.243 -8.703 1.00 0.00 C ATOM 1198 NZ LYS A 75 -15.138 -1.116 -9.889 1.00 0.00 N ATOM 0 H LYS A 75 -12.601 -0.194 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.134 0.667 -4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.360 -1.489 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.740 -2.198 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.363 -2.391 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.169 -0.904 -6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.991 0.287 -7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.622 -1.236 -7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.394 -0.319 -8.382 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.183 0.797 -8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.707 -0.766 -10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.131 -1.103 -10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.424 -2.089 -9.660 1.00 0.00 H new ATOM 1212 N ILE A 76 -16.666 -0.821 -3.304 1.00 0.00 N ATOM 1213 CA ILE A 76 -17.572 -1.128 -2.202 1.00 0.00 C ATOM 1214 C ILE A 76 -16.945 -2.122 -1.224 1.00 0.00 C ATOM 1215 O ILE A 76 -16.637 -3.257 -1.585 1.00 0.00 O ATOM 1216 CB ILE A 76 -18.925 -1.678 -2.713 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -18.782 -3.110 -3.247 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -19.491 -0.767 -3.791 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -17.688 -3.272 -4.282 1.00 0.00 C ATOM 0 H ILE A 76 -17.053 -1.004 -4.230 1.00 0.00 H new ATOM 0 HA ILE A 76 -17.756 -0.191 -1.677 1.00 0.00 H new ATOM 0 HB ILE A 76 -19.616 -1.703 -1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -18.581 -3.781 -2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -19.731 -3.421 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -20.443 -1.166 -4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -19.645 0.231 -3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.791 -0.712 -4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -17.649 -4.311 -4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -17.897 -2.629 -5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -16.729 -2.994 -3.845 1.00 0.00 H new ATOM 1231 N ASN A 77 -16.762 -1.684 0.019 1.00 0.00 N ATOM 1232 CA ASN A 77 -16.178 -2.528 1.058 1.00 0.00 C ATOM 1233 C ASN A 77 -14.822 -3.083 0.627 1.00 0.00 C ATOM 1234 O ASN A 77 -14.746 -4.006 -0.184 1.00 0.00 O ATOM 1235 CB ASN A 77 -17.124 -3.681 1.399 1.00 0.00 C ATOM 1236 CG ASN A 77 -16.990 -4.130 2.841 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -17.316 -3.387 3.767 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -16.508 -5.352 3.039 1.00 0.00 N ATOM 0 H ASN A 77 -17.011 -0.746 0.332 1.00 0.00 H new ATOM 0 HA ASN A 77 -16.028 -1.909 1.943 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -18.152 -3.372 1.212 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -16.919 -4.523 0.738 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.396 -5.708 3.988 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -16.250 -5.934 2.242 1.00 0.00 H new ATOM 1245 N HIS A 78 -13.755 -2.518 1.182 1.00 0.00 N ATOM 1246 CA HIS A 78 -12.403 -2.961 0.861 1.00 0.00 C ATOM 1247 C HIS A 78 -11.513 -2.932 2.100 1.00 0.00 C ATOM 1248 O HIS A 78 -10.707 -2.020 2.277 1.00 0.00 O ATOM 1249 CB HIS A 78 -11.799 -2.083 -0.235 1.00 0.00 C ATOM 1250 CG HIS A 78 -10.430 -2.521 -0.658 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -9.323 -1.702 -0.587 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -9.992 -3.702 -1.154 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -8.263 -2.361 -1.022 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -8.643 -3.575 -1.371 1.00 0.00 N ATOM 0 H HIS A 78 -13.800 -1.753 1.855 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.462 -3.988 0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.459 -2.091 -1.102 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -11.750 -1.053 0.120 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -10.592 -4.580 -1.343 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.257 -1.972 -1.082 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.032 -4.303 -1.743 1.00 0.00 H new ATOM 1263 N THR A 79 -11.668 -3.938 2.956 1.00 0.00 N ATOM 1264 CA THR A 79 -10.878 -4.029 4.178 1.00 0.00 C ATOM 1265 C THR A 79 -11.204 -5.307 4.945 1.00 0.00 C ATOM 1266 O THR A 79 -11.249 -5.312 6.175 1.00 0.00 O ATOM 1267 CB THR A 79 -11.133 -2.809 5.064 1.00 0.00 C ATOM 1268 OG1 THR A 79 -10.475 -2.946 6.311 1.00 0.00 O ATOM 1269 CG2 THR A 79 -12.602 -2.572 5.342 1.00 0.00 C ATOM 0 H THR A 79 -12.333 -4.700 2.825 1.00 0.00 H new ATOM 0 HA THR A 79 -9.825 -4.055 3.899 1.00 0.00 H new ATOM 0 HB THR A 79 -10.742 -1.958 4.506 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.832 -3.726 6.785 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.715 -1.692 5.976 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.129 -2.412 4.401 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.021 -3.441 5.849 1.00 0.00 H new ATOM 1277 N THR A 80 -11.430 -6.391 4.208 1.00 0.00 N ATOM 1278 CA THR A 80 -11.753 -7.677 4.817 1.00 0.00 C ATOM 1279 C THR A 80 -10.614 -8.678 4.629 1.00 0.00 C ATOM 1280 O THR A 80 -10.548 -9.694 5.321 1.00 0.00 O ATOM 1281 CB THR A 80 -13.045 -8.239 4.222 1.00 0.00 C ATOM 1282 OG1 THR A 80 -13.247 -9.579 4.638 1.00 0.00 O ATOM 1283 CG2 THR A 80 -13.068 -8.220 2.710 1.00 0.00 C ATOM 0 H THR A 80 -11.395 -6.404 3.189 1.00 0.00 H new ATOM 0 HA THR A 80 -11.893 -7.515 5.886 1.00 0.00 H new ATOM 0 HB THR A 80 -13.838 -7.587 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 80 -14.079 -9.921 4.249 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.013 -8.632 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.965 -7.194 2.357 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.243 -8.820 2.326 1.00 0.00 H new ATOM 1291 N LEU A 81 -9.718 -8.388 3.687 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.584 -9.264 3.410 1.00 0.00 C ATOM 1293 C LEU A 81 -9.047 -10.596 2.820 1.00 0.00 C ATOM 1294 O LEU A 81 -8.305 -11.579 2.830 1.00 0.00 O ATOM 1295 CB LEU A 81 -7.776 -9.514 4.687 1.00 0.00 C ATOM 1296 CG LEU A 81 -6.405 -10.159 4.471 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -5.312 -9.101 4.459 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -6.129 -11.199 5.549 1.00 0.00 C ATOM 0 H LEU A 81 -9.757 -7.552 3.103 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.949 -8.765 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.636 -8.564 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.361 -10.153 5.349 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.409 -10.659 3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.345 -9.579 4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.500 -8.393 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.307 -8.572 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.150 -11.647 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.145 -10.721 6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.894 -11.974 5.511 1.00 0.00 H new ATOM 1310 N LYS A 82 -10.273 -10.623 2.305 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.822 -11.837 1.713 1.00 0.00 C ATOM 1312 C LYS A 82 -10.277 -12.046 0.305 1.00 0.00 C ATOM 1313 O LYS A 82 -9.703 -13.092 0.001 1.00 0.00 O ATOM 1314 CB LYS A 82 -12.350 -11.772 1.678 1.00 0.00 C ATOM 1315 CG LYS A 82 -13.013 -12.386 2.901 1.00 0.00 C ATOM 1316 CD LYS A 82 -13.110 -13.898 2.781 1.00 0.00 C ATOM 1317 CE LYS A 82 -13.836 -14.507 3.970 1.00 0.00 C ATOM 1318 NZ LYS A 82 -13.366 -15.889 4.261 1.00 0.00 N ATOM 0 H LYS A 82 -10.903 -9.821 2.286 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.519 -12.682 2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.659 -10.730 1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.707 -12.285 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.444 -12.126 3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.011 -11.965 3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.634 -14.158 1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.109 -14.323 2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.684 -13.880 4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.908 -14.523 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.886 -16.268 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.535 -16.495 3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.349 -15.872 4.476 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.455 -11.043 -0.550 1.00 0.00 N ATOM 1333 CA ILE A 83 -9.973 -11.120 -1.924 1.00 0.00 C ATOM 1334 C ILE A 83 -8.480 -11.422 -1.957 1.00 0.00 C ATOM 1335 O ILE A 83 -7.996 -12.116 -2.852 1.00 0.00 O ATOM 1336 CB ILE A 83 -10.243 -9.813 -2.696 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -9.879 -8.598 -1.840 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -11.701 -9.745 -3.129 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -9.271 -7.461 -2.632 1.00 0.00 C ATOM 0 H ILE A 83 -10.928 -10.170 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.520 -11.929 -2.408 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.617 -9.803 -3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.775 -8.239 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -9.177 -8.907 -1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.876 -8.817 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.928 -10.593 -3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.344 -9.777 -2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.038 -6.634 -1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.357 -7.803 -3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.980 -7.125 -3.389 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.758 -10.910 -0.968 1.00 0.00 N ATOM 1352 CA LEU A 84 -6.322 -11.137 -0.880 1.00 0.00 C ATOM 1353 C LEU A 84 -6.042 -12.594 -0.542 1.00 0.00 C ATOM 1354 O LEU A 84 -5.083 -13.185 -1.038 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.701 -10.221 0.178 1.00 0.00 C ATOM 1356 CG LEU A 84 -4.178 -10.096 0.113 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -3.738 -8.705 0.543 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -3.521 -11.158 0.982 1.00 0.00 C ATOM 0 H LEU A 84 -8.143 -10.336 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.873 -10.907 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.136 -9.227 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.978 -10.591 1.165 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.862 -10.251 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.652 -8.635 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.182 -7.962 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.064 -8.520 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.437 -11.056 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.843 -11.033 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.811 -12.148 0.629 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.894 -13.173 0.296 1.00 0.00 N ATOM 1371 CA GLU A 85 -6.747 -14.566 0.688 1.00 0.00 C ATOM 1372 C GLU A 85 -7.196 -15.494 -0.442 1.00 0.00 C ATOM 1373 O GLU A 85 -6.921 -16.693 -0.417 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.557 -14.849 1.955 1.00 0.00 C ATOM 1375 CG GLU A 85 -6.794 -15.649 2.998 1.00 0.00 C ATOM 1376 CD GLU A 85 -6.652 -17.112 2.623 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -7.613 -17.878 2.846 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -5.580 -17.492 2.108 1.00 0.00 O ATOM 0 H GLU A 85 -7.693 -12.698 0.716 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.693 -14.755 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.872 -13.902 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.463 -15.392 1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.803 -15.214 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.307 -15.572 3.957 1.00 0.00 H new ATOM 1385 N GLY A 86 -7.891 -14.930 -1.429 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.365 -15.721 -2.547 1.00 0.00 C ATOM 1387 C GLY A 86 -7.467 -15.616 -3.766 1.00 0.00 C ATOM 1388 O GLY A 86 -7.375 -16.557 -4.555 1.00 0.00 O ATOM 0 H GLY A 86 -8.133 -13.940 -1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.436 -16.765 -2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.371 -15.398 -2.814 1.00 0.00 H new ATOM 1392 N HIS A 87 -6.803 -14.473 -3.926 1.00 0.00 N ATOM 1393 CA HIS A 87 -5.913 -14.266 -5.066 1.00 0.00 C ATOM 1394 C HIS A 87 -4.455 -14.189 -4.618 1.00 0.00 C ATOM 1395 O HIS A 87 -3.552 -14.617 -5.337 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.306 -12.995 -5.829 1.00 0.00 C ATOM 1397 CG HIS A 87 -5.900 -11.721 -5.149 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -6.808 -10.787 -4.695 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -4.675 -11.225 -4.853 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -6.159 -9.774 -4.150 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -4.864 -10.015 -4.232 1.00 0.00 N ATOM 0 H HIS A 87 -6.864 -13.681 -3.286 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.016 -15.121 -5.734 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.854 -13.025 -6.820 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.387 -12.989 -5.972 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -7.822 -10.866 -4.769 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -3.726 -11.694 -5.066 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.611 -8.897 -3.711 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.234 -13.640 -3.430 1.00 0.00 N ATOM 1411 CA LEU A 88 -2.887 -13.506 -2.889 1.00 0.00 C ATOM 1412 C LEU A 88 -2.537 -14.693 -1.997 1.00 0.00 C ATOM 1413 O LEU A 88 -1.342 -15.050 -1.931 1.00 0.00 O ATOM 1414 CB LEU A 88 -2.760 -12.201 -2.100 1.00 0.00 C ATOM 1415 CG LEU A 88 -1.470 -11.417 -2.343 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -0.255 -12.306 -2.133 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -1.464 -10.825 -3.745 1.00 0.00 C ATOM 1418 OXT LEU A 88 -3.461 -15.254 -1.372 1.00 0.00 O ATOM 0 H LEU A 88 -4.970 -13.280 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.187 -13.486 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.607 -11.561 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.833 -12.429 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.423 -10.600 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.653 -11.729 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.252 -12.682 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.294 -13.145 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.539 -10.270 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.535 -11.628 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.314 -10.153 -3.860 1.00 0.00 H new TER 1430 LEU A 88