USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 HIS : no HE2:sc= 0 K(o=-3.3,f=-4.1) USER MOD Set 1.2: A 87 HIS : no HE2:sc= -3.26 X(o=-3.3,f=-3.1!) USER MOD Single : A 3 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-2.3!) USER MOD Single : A 4 SER OG : rot 30:sc= 0.107 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.791 K(o=-0.79,f=-0.038) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -73:sc= 1.84 USER MOD Single : A 32 THR OG1 : rot 79:sc= -0.926 USER MOD Single : A 36 LYS NZ :NH3+ 140:sc= -1.8 (180deg=-5.47!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -58:sc= 0.384 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.56 K(o=-1.6,f=-5.1!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -156:sc= -0.504 (180deg=-1.46!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -145:sc= -0.0947 (180deg=-1.82!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.235 K(o=-0.24,f=0.94) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -160:sc= -1.85 (180deg=-2.09) USER MOD Single : A 90 SER OG : rot 180:sc= -1.58 USER MOD Single : A 92 ASN : amide:sc= -0.614 K(o=-0.61,f=-3.7!) USER MOD Single : A 93 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.3!) USER MOD Single : A 95 THR OG1 : rot 93:sc= 0.101 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.27) USER MOD Single : A 101 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0395) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 103:sc= 1.16 USER MOD Single : A 105 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.49) USER MOD Single : A 106 GLN : amide:sc= -2.97! C(o=-3!,f=-2.4!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 0:sc= -2.01 USER MOD Single : A 112 LYS NZ :NH3+ 148:sc= -0.154 (180deg=-0.733) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -8.234 10.595 7.574 1.00 0.00 N ATOM 29 CA HIS A 3 -7.421 9.388 7.672 1.00 0.00 C ATOM 30 C HIS A 3 -8.292 8.133 7.629 1.00 0.00 C ATOM 31 O HIS A 3 -8.170 7.250 8.479 1.00 0.00 O ATOM 32 CB HIS A 3 -6.584 9.414 8.953 1.00 0.00 C ATOM 33 CG HIS A 3 -7.374 9.183 10.204 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.739 9.362 10.282 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.977 8.782 11.432 1.00 0.00 C ATOM 36 CE1 HIS A 3 -9.147 9.081 11.507 1.00 0.00 C ATOM 37 NE2 HIS A 3 -8.098 8.726 12.224 1.00 0.00 N ATOM 0 HA HIS A 3 -6.749 9.361 6.814 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.806 8.654 8.882 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.081 10.378 9.026 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -9.339 9.664 9.515 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.967 8.549 11.734 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.166 9.133 11.861 1.00 0.00 H new ATOM 46 N SER A 4 -9.167 8.059 6.633 1.00 0.00 N ATOM 47 CA SER A 4 -10.054 6.911 6.481 1.00 0.00 C ATOM 48 C SER A 4 -10.919 7.050 5.232 1.00 0.00 C ATOM 49 O SER A 4 -11.564 8.077 5.022 1.00 0.00 O ATOM 50 CB SER A 4 -10.944 6.760 7.716 1.00 0.00 C ATOM 51 OG SER A 4 -11.617 7.972 8.011 1.00 0.00 O ATOM 0 H SER A 4 -9.282 8.779 5.919 1.00 0.00 H new ATOM 0 HA SER A 4 -9.436 6.020 6.375 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.673 5.967 7.548 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.338 6.460 8.571 1.00 0.00 H new ATOM 0 HG SER A 4 -11.766 8.473 7.182 1.00 0.00 H new ATOM 57 N GLY A 5 -10.935 6.005 4.409 1.00 0.00 N ATOM 58 CA GLY A 5 -11.728 6.024 3.197 1.00 0.00 C ATOM 59 C GLY A 5 -12.214 4.641 2.825 1.00 0.00 C ATOM 60 O GLY A 5 -11.606 3.645 3.211 1.00 0.00 O ATOM 0 H GLY A 5 -10.410 5.144 4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.583 6.686 3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.134 6.433 2.380 1.00 0.00 H new ATOM 64 N ALA A 6 -13.307 4.572 2.080 1.00 0.00 N ATOM 65 CA ALA A 6 -13.857 3.287 1.672 1.00 0.00 C ATOM 66 C ALA A 6 -12.967 2.629 0.626 1.00 0.00 C ATOM 67 O ALA A 6 -12.942 3.039 -0.534 1.00 0.00 O ATOM 68 CB ALA A 6 -15.272 3.460 1.147 1.00 0.00 C ATOM 0 H ALA A 6 -13.828 5.384 1.747 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.893 2.633 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.669 2.491 0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.901 3.883 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.262 4.131 0.288 1.00 0.00 H new ATOM 74 N ALA A 7 -12.228 1.609 1.053 1.00 0.00 N ATOM 75 CA ALA A 7 -11.322 0.894 0.160 1.00 0.00 C ATOM 76 C ALA A 7 -11.823 -0.520 -0.118 1.00 0.00 C ATOM 77 O ALA A 7 -12.541 -1.105 0.693 1.00 0.00 O ATOM 78 CB ALA A 7 -9.920 0.856 0.753 1.00 0.00 C ATOM 0 H ALA A 7 -12.239 1.259 2.011 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.289 1.429 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.254 0.320 0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.555 1.874 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.946 0.347 1.716 1.00 0.00 H new ATOM 84 N ILE A 8 -11.443 -1.064 -1.271 1.00 0.00 N ATOM 85 CA ILE A 8 -11.856 -2.409 -1.657 1.00 0.00 C ATOM 86 C ILE A 8 -10.712 -3.406 -1.480 1.00 0.00 C ATOM 87 O ILE A 8 -9.547 -3.074 -1.693 1.00 0.00 O ATOM 88 CB ILE A 8 -12.360 -2.442 -3.118 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.785 -1.898 -3.185 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.306 -3.851 -3.698 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.891 -0.617 -3.964 1.00 0.00 C ATOM 0 H ILE A 8 -10.850 -0.593 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.677 -2.697 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.702 -1.813 -3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.433 -2.648 -3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.152 -1.732 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.668 -3.835 -4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.278 -4.212 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.934 -4.514 -3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.928 -0.282 -3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.268 0.146 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.553 -0.784 -4.987 1.00 0.00 H new ATOM 103 N PHE A 9 -11.059 -4.631 -1.096 1.00 0.00 N ATOM 104 CA PHE A 9 -10.067 -5.681 -0.899 1.00 0.00 C ATOM 105 C PHE A 9 -10.652 -7.037 -1.267 1.00 0.00 C ATOM 106 O PHE A 9 -11.804 -7.329 -0.953 1.00 0.00 O ATOM 107 CB PHE A 9 -9.586 -5.693 0.552 1.00 0.00 C ATOM 108 CG PHE A 9 -8.484 -6.682 0.809 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.162 -6.345 0.563 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.771 -7.948 1.294 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.147 -7.252 0.797 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.759 -8.859 1.531 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.445 -8.511 1.283 1.00 0.00 C ATOM 0 H PHE A 9 -12.020 -4.920 -0.915 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.215 -5.478 -1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.238 -4.695 0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.429 -5.922 1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.923 -5.362 0.184 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.796 -8.226 1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.121 -6.978 0.600 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.995 -9.842 1.910 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.653 -9.221 1.468 1.00 0.00 H new ATOM 123 N GLU A 10 -9.859 -7.862 -1.939 1.00 0.00 N ATOM 124 CA GLU A 10 -10.316 -9.186 -2.349 1.00 0.00 C ATOM 125 C GLU A 10 -11.588 -9.086 -3.188 1.00 0.00 C ATOM 126 O GLU A 10 -12.410 -10.003 -3.193 1.00 0.00 O ATOM 127 CB GLU A 10 -10.566 -10.065 -1.123 1.00 0.00 C ATOM 128 CG GLU A 10 -9.346 -10.858 -0.683 1.00 0.00 C ATOM 129 CD GLU A 10 -8.945 -11.917 -1.692 1.00 0.00 C ATOM 130 OE1 GLU A 10 -9.540 -13.015 -1.667 1.00 0.00 O ATOM 131 OE2 GLU A 10 -8.035 -11.649 -2.505 1.00 0.00 O ATOM 0 H GLU A 10 -8.901 -7.641 -2.211 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.535 -9.641 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.897 -9.436 -0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.379 -10.757 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.511 -10.176 -0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.553 -11.334 0.275 1.00 0.00 H new ATOM 138 N LYS A 11 -11.739 -7.965 -3.895 1.00 0.00 N ATOM 139 CA LYS A 11 -12.905 -7.725 -4.749 1.00 0.00 C ATOM 140 C LYS A 11 -14.107 -7.223 -3.945 1.00 0.00 C ATOM 141 O LYS A 11 -15.149 -6.907 -4.518 1.00 0.00 O ATOM 142 CB LYS A 11 -13.290 -8.991 -5.525 1.00 0.00 C ATOM 143 CG LYS A 11 -12.102 -9.724 -6.129 1.00 0.00 C ATOM 144 CD LYS A 11 -12.242 -11.231 -5.975 1.00 0.00 C ATOM 145 CE LYS A 11 -11.730 -11.965 -7.204 1.00 0.00 C ATOM 146 NZ LYS A 11 -12.533 -13.183 -7.498 1.00 0.00 N ATOM 0 H LYS A 11 -11.062 -7.202 -3.893 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.622 -6.947 -5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.822 -9.668 -4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.982 -8.721 -6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.016 -9.471 -7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.183 -9.391 -5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.689 -11.561 -5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.289 -11.485 -5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.757 -11.296 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.688 -12.245 -7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.152 -13.655 -8.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.487 -13.833 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.523 -12.913 -7.669 1.00 0.00 H new ATOM 160 N VAL A 12 -13.964 -7.144 -2.624 1.00 0.00 N ATOM 161 CA VAL A 12 -15.046 -6.671 -1.773 1.00 0.00 C ATOM 162 C VAL A 12 -14.771 -5.258 -1.284 1.00 0.00 C ATOM 163 O VAL A 12 -13.629 -4.904 -0.990 1.00 0.00 O ATOM 164 CB VAL A 12 -15.269 -7.606 -0.565 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.096 -7.565 0.404 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.569 -7.263 0.149 1.00 0.00 C ATOM 0 H VAL A 12 -13.113 -7.401 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.953 -6.670 -2.377 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.342 -8.624 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.291 -8.236 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.188 -7.880 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.967 -6.549 0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.706 -7.934 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.528 -6.233 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.404 -7.376 -0.542 1.00 0.00 H new ATOM 176 N SER A 13 -15.815 -4.447 -1.205 1.00 0.00 N ATOM 177 CA SER A 13 -15.662 -3.074 -0.753 1.00 0.00 C ATOM 178 C SER A 13 -15.861 -2.971 0.751 1.00 0.00 C ATOM 179 O SER A 13 -16.812 -3.522 1.304 1.00 0.00 O ATOM 180 CB SER A 13 -16.645 -2.154 -1.473 1.00 0.00 C ATOM 181 OG SER A 13 -17.971 -2.644 -1.374 1.00 0.00 O ATOM 0 H SER A 13 -16.770 -4.713 -1.446 1.00 0.00 H new ATOM 0 HA SER A 13 -14.647 -2.758 -0.991 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.591 -1.153 -1.045 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.364 -2.067 -2.523 1.00 0.00 H new ATOM 0 HG SER A 13 -18.580 -2.036 -1.842 1.00 0.00 H new ATOM 187 N GLY A 14 -14.955 -2.258 1.406 1.00 0.00 N ATOM 188 CA GLY A 14 -15.041 -2.088 2.840 1.00 0.00 C ATOM 189 C GLY A 14 -14.732 -0.670 3.266 1.00 0.00 C ATOM 190 O GLY A 14 -15.147 0.287 2.612 1.00 0.00 O ATOM 0 H GLY A 14 -14.160 -1.794 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.042 -2.357 3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.346 -2.772 3.328 1.00 0.00 H new ATOM 194 N ILE A 15 -13.995 -0.534 4.359 1.00 0.00 N ATOM 195 CA ILE A 15 -13.624 0.777 4.868 1.00 0.00 C ATOM 196 C ILE A 15 -12.182 0.786 5.336 1.00 0.00 C ATOM 197 O ILE A 15 -11.809 0.041 6.237 1.00 0.00 O ATOM 198 CB ILE A 15 -14.517 1.208 6.046 1.00 0.00 C ATOM 199 CG1 ILE A 15 -15.978 0.831 5.775 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.369 2.703 6.303 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.666 1.707 4.753 1.00 0.00 C ATOM 0 H ILE A 15 -13.642 -1.316 4.910 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.756 1.478 4.044 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.197 0.680 6.944 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.017 -0.204 5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.534 0.880 6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.006 2.993 7.138 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.330 2.930 6.543 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.665 3.256 5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.695 1.372 4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.662 2.741 5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.138 1.640 3.802 1.00 0.00 H new ATOM 213 N ILE A 16 -11.382 1.645 4.736 1.00 0.00 N ATOM 214 CA ILE A 16 -9.987 1.759 5.110 1.00 0.00 C ATOM 215 C ILE A 16 -9.818 2.912 6.086 1.00 0.00 C ATOM 216 O ILE A 16 -10.189 4.046 5.793 1.00 0.00 O ATOM 217 CB ILE A 16 -9.089 1.944 3.860 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.386 0.627 3.527 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.061 3.051 4.040 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.405 0.732 2.378 1.00 0.00 C ATOM 0 H ILE A 16 -11.674 2.274 3.988 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.672 0.836 5.598 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.738 2.239 3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.858 0.274 4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.138 -0.124 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.459 3.139 3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.572 3.995 4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.415 2.813 4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.946 -0.241 2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.931 1.054 1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.631 1.458 2.626 1.00 0.00 H new ATOM 232 N ALA A 17 -9.282 2.613 7.255 1.00 0.00 N ATOM 233 CA ALA A 17 -9.096 3.629 8.278 1.00 0.00 C ATOM 234 C ALA A 17 -7.748 3.479 8.973 1.00 0.00 C ATOM 235 O ALA A 17 -7.372 2.386 9.399 1.00 0.00 O ATOM 236 CB ALA A 17 -10.242 3.566 9.277 1.00 0.00 C ATOM 0 H ALA A 17 -8.969 1.679 7.520 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.100 4.609 7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.100 4.329 10.043 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.185 3.742 8.760 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.263 2.582 9.745 1.00 0.00 H new ATOM 242 N ILE A 18 -7.020 4.587 9.074 1.00 0.00 N ATOM 243 CA ILE A 18 -5.706 4.592 9.704 1.00 0.00 C ATOM 244 C ILE A 18 -5.810 4.741 11.220 1.00 0.00 C ATOM 245 O ILE A 18 -6.398 5.699 11.722 1.00 0.00 O ATOM 246 CB ILE A 18 -4.824 5.728 9.146 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.719 5.621 7.623 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.441 5.698 9.779 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.789 6.397 6.887 1.00 0.00 C ATOM 0 H ILE A 18 -7.321 5.497 8.725 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.245 3.631 9.474 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.292 6.680 9.397 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.739 5.981 7.308 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.780 4.571 7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.836 6.508 9.371 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.532 5.822 10.858 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.962 4.743 9.562 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.652 6.275 5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.772 6.022 7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.715 7.453 7.145 1.00 0.00 H new ATOM 261 N ASN A 19 -5.224 3.789 11.940 1.00 0.00 N ATOM 262 CA ASN A 19 -5.236 3.811 13.399 1.00 0.00 C ATOM 263 C ASN A 19 -4.008 4.536 13.935 1.00 0.00 C ATOM 264 O ASN A 19 -2.952 3.933 14.127 1.00 0.00 O ATOM 265 CB ASN A 19 -5.282 2.384 13.950 1.00 0.00 C ATOM 266 CG ASN A 19 -6.112 2.281 15.214 1.00 0.00 C ATOM 267 OD1 ASN A 19 -7.248 1.807 15.187 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.548 2.724 16.331 1.00 0.00 N ATOM 0 H ASN A 19 -4.734 2.991 11.536 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.127 4.347 13.726 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.694 1.718 13.192 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.267 2.044 14.156 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.059 2.679 17.213 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.604 3.109 16.308 1.00 0.00 H new ATOM 275 N GLU A 20 -4.155 5.834 14.177 1.00 0.00 N ATOM 276 CA GLU A 20 -3.058 6.643 14.695 1.00 0.00 C ATOM 277 C GLU A 20 -3.136 6.758 16.214 1.00 0.00 C ATOM 278 O GLU A 20 -2.638 7.719 16.800 1.00 0.00 O ATOM 279 CB GLU A 20 -3.080 8.036 14.063 1.00 0.00 C ATOM 280 CG GLU A 20 -2.981 8.018 12.547 1.00 0.00 C ATOM 281 CD GLU A 20 -2.515 9.344 11.977 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.287 9.566 11.919 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.377 10.160 11.590 1.00 0.00 O ATOM 0 H GLU A 20 -5.022 6.348 14.023 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.122 6.149 14.435 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.001 8.543 14.353 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.254 8.622 14.466 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.290 7.232 12.241 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.955 7.768 12.126 1.00 0.00 H new ATOM 290 N ASP A 21 -3.758 5.768 16.845 1.00 0.00 N ATOM 291 CA ASP A 21 -3.894 5.752 18.295 1.00 0.00 C ATOM 292 C ASP A 21 -2.914 4.764 18.923 1.00 0.00 C ATOM 293 O ASP A 21 -2.765 4.717 20.145 1.00 0.00 O ATOM 294 CB ASP A 21 -5.327 5.388 18.690 1.00 0.00 C ATOM 295 CG ASP A 21 -6.302 6.521 18.436 1.00 0.00 C ATOM 296 OD1 ASP A 21 -6.205 7.161 17.368 1.00 0.00 O ATOM 297 OD2 ASP A 21 -7.164 6.769 19.306 1.00 0.00 O ATOM 0 H ASP A 21 -4.176 4.966 16.374 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.664 6.750 18.668 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.643 4.508 18.130 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.353 5.120 19.746 1.00 0.00 H new ATOM 302 N VAL A 22 -2.244 3.976 18.083 1.00 0.00 N ATOM 303 CA VAL A 22 -1.280 2.994 18.568 1.00 0.00 C ATOM 304 C VAL A 22 0.148 3.488 18.362 1.00 0.00 C ATOM 305 O VAL A 22 0.363 4.608 17.900 1.00 0.00 O ATOM 306 CB VAL A 22 -1.453 1.637 17.859 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.869 1.115 18.042 1.00 0.00 C ATOM 308 CG2 VAL A 22 -1.109 1.756 16.380 1.00 0.00 C ATOM 0 H VAL A 22 -2.351 3.999 17.069 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.468 2.860 19.633 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.765 0.923 18.312 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.972 0.156 17.534 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.075 0.987 19.105 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.577 1.827 17.618 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.238 0.787 15.897 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.769 2.486 15.911 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.074 2.081 16.272 1.00 0.00 H new ATOM 318 N SER A 23 1.124 2.647 18.693 1.00 0.00 N ATOM 319 CA SER A 23 2.522 3.017 18.519 1.00 0.00 C ATOM 320 C SER A 23 2.825 3.193 17.034 1.00 0.00 C ATOM 321 O SER A 23 3.054 4.312 16.575 1.00 0.00 O ATOM 322 CB SER A 23 3.449 1.974 19.150 1.00 0.00 C ATOM 323 OG SER A 23 4.007 2.453 20.361 1.00 0.00 O ATOM 0 H SER A 23 0.974 1.715 19.079 1.00 0.00 H new ATOM 0 HA SER A 23 2.702 3.963 19.029 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.893 1.056 19.340 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.248 1.723 18.452 1.00 0.00 H new ATOM 0 HG SER A 23 4.593 1.768 20.745 1.00 0.00 H new ATOM 329 N PRO A 24 2.800 2.100 16.245 1.00 0.00 N ATOM 330 CA PRO A 24 3.040 2.168 14.814 1.00 0.00 C ATOM 331 C PRO A 24 1.739 2.372 14.055 1.00 0.00 C ATOM 332 O PRO A 24 0.900 1.474 13.997 1.00 0.00 O ATOM 333 CB PRO A 24 3.612 0.795 14.516 1.00 0.00 C ATOM 334 CG PRO A 24 2.874 -0.113 15.444 1.00 0.00 C ATOM 335 CD PRO A 24 2.510 0.712 16.663 1.00 0.00 C ATOM 0 HA PRO A 24 3.690 2.993 14.522 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.455 0.515 13.474 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.686 0.762 14.696 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.980 -0.512 14.965 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.492 -0.966 15.724 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.462 0.586 16.934 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.101 0.424 17.533 1.00 0.00 H new ATOM 343 N ALA A 25 1.565 3.555 13.490 1.00 0.00 N ATOM 344 CA ALA A 25 0.349 3.870 12.750 1.00 0.00 C ATOM 345 C ALA A 25 0.004 2.763 11.757 1.00 0.00 C ATOM 346 O ALA A 25 0.745 2.512 10.808 1.00 0.00 O ATOM 347 CB ALA A 25 0.489 5.208 12.041 1.00 0.00 C ATOM 0 H ALA A 25 2.247 4.313 13.528 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.472 3.942 13.464 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.428 5.427 11.494 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.669 5.992 12.776 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.326 5.165 11.344 1.00 0.00 H new ATOM 353 N GLU A 26 -1.123 2.101 11.994 1.00 0.00 N ATOM 354 CA GLU A 26 -1.571 1.013 11.132 1.00 0.00 C ATOM 355 C GLU A 26 -2.820 1.418 10.352 1.00 0.00 C ATOM 356 O GLU A 26 -3.492 2.388 10.696 1.00 0.00 O ATOM 357 CB GLU A 26 -1.871 -0.234 11.969 1.00 0.00 C ATOM 358 CG GLU A 26 -0.862 -0.483 13.079 1.00 0.00 C ATOM 359 CD GLU A 26 -1.039 -1.841 13.732 1.00 0.00 C ATOM 360 OE1 GLU A 26 -1.656 -2.725 13.104 1.00 0.00 O ATOM 361 OE2 GLU A 26 -0.560 -2.018 14.872 1.00 0.00 O ATOM 0 H GLU A 26 -1.745 2.299 12.778 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.773 0.791 10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.864 -0.136 12.408 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.897 -1.104 11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.146 -0.408 12.672 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.959 0.296 13.835 1.00 0.00 H new ATOM 368 N LEU A 27 -3.131 0.655 9.312 1.00 0.00 N ATOM 369 CA LEU A 27 -4.304 0.907 8.489 1.00 0.00 C ATOM 370 C LEU A 27 -5.259 -0.276 8.600 1.00 0.00 C ATOM 371 O LEU A 27 -4.959 -1.372 8.125 1.00 0.00 O ATOM 372 CB LEU A 27 -3.893 1.126 7.030 1.00 0.00 C ATOM 373 CG LEU A 27 -5.055 1.293 6.046 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.866 2.545 5.202 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.189 0.065 5.154 1.00 0.00 C ATOM 0 H LEU A 27 -2.580 -0.151 9.017 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.805 1.809 8.840 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.261 2.012 6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.284 0.281 6.709 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.974 1.400 6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.701 2.646 4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.825 3.419 5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.936 2.468 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.020 0.206 4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.268 -0.076 4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.375 -0.814 5.771 1.00 0.00 H new ATOM 387 N THR A 28 -6.394 -0.063 9.257 1.00 0.00 N ATOM 388 CA THR A 28 -7.366 -1.133 9.456 1.00 0.00 C ATOM 389 C THR A 28 -8.532 -1.050 8.476 1.00 0.00 C ATOM 390 O THR A 28 -9.323 -0.107 8.511 1.00 0.00 O ATOM 391 CB THR A 28 -7.898 -1.097 10.890 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.833 -0.988 11.817 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.706 -2.322 11.260 1.00 0.00 C ATOM 0 H THR A 28 -6.663 0.835 9.659 1.00 0.00 H new ATOM 0 HA THR A 28 -6.848 -2.074 9.272 1.00 0.00 H new ATOM 0 HB THR A 28 -8.551 -0.225 10.934 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.193 -0.965 12.728 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.053 -2.232 12.289 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.565 -2.406 10.594 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.083 -3.211 11.164 1.00 0.00 H new ATOM 401 N TRP A 29 -8.642 -2.060 7.618 1.00 0.00 N ATOM 402 CA TRP A 29 -9.715 -2.129 6.645 1.00 0.00 C ATOM 403 C TRP A 29 -10.921 -2.853 7.232 1.00 0.00 C ATOM 404 O TRP A 29 -10.884 -4.065 7.448 1.00 0.00 O ATOM 405 CB TRP A 29 -9.244 -2.860 5.388 1.00 0.00 C ATOM 406 CG TRP A 29 -10.343 -3.086 4.401 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.916 -2.149 3.601 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.015 -4.321 4.124 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.897 -2.722 2.823 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.976 -4.057 3.128 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.891 -5.622 4.615 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.809 -5.052 2.618 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.719 -6.606 4.109 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.666 -6.317 3.121 1.00 0.00 C ATOM 0 H TRP A 29 -7.993 -2.846 7.581 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.004 -1.111 6.382 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.450 -2.283 4.914 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.814 -3.821 5.672 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.641 -1.105 3.579 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.470 -2.235 2.134 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.161 -5.855 5.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.540 -4.833 1.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.633 -7.616 4.483 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.298 -7.109 2.747 1.00 0.00 H new ATOM 425 N ARG A 30 -11.990 -2.111 7.474 1.00 0.00 N ATOM 426 CA ARG A 30 -13.211 -2.688 8.019 1.00 0.00 C ATOM 427 C ARG A 30 -14.295 -2.732 6.950 1.00 0.00 C ATOM 428 O ARG A 30 -14.760 -1.692 6.487 1.00 0.00 O ATOM 429 CB ARG A 30 -13.694 -1.879 9.224 1.00 0.00 C ATOM 430 CG ARG A 30 -12.848 -2.081 10.471 1.00 0.00 C ATOM 431 CD ARG A 30 -13.229 -1.098 11.567 1.00 0.00 C ATOM 432 NE ARG A 30 -14.649 -1.176 11.904 1.00 0.00 N ATOM 433 CZ ARG A 30 -15.209 -0.506 12.908 1.00 0.00 C ATOM 434 NH1 ARG A 30 -14.477 0.292 13.674 1.00 0.00 N ATOM 435 NH2 ARG A 30 -16.508 -0.634 13.145 1.00 0.00 N ATOM 0 H ARG A 30 -12.038 -1.107 7.302 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.996 -3.705 8.346 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.695 -0.821 8.964 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.725 -2.154 9.446 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.973 -3.101 10.836 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.794 -1.959 10.221 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.634 -1.299 12.458 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.988 -0.085 11.245 1.00 0.00 H new ATOM 0 HE ARG A 30 -15.245 -1.779 11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.478 0.395 13.495 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.913 0.803 14.442 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.076 -1.245 12.558 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.939 -0.121 13.914 1.00 0.00 H new ATOM 449 N SER A 31 -14.687 -3.939 6.552 1.00 0.00 N ATOM 450 CA SER A 31 -15.711 -4.110 5.522 1.00 0.00 C ATOM 451 C SER A 31 -16.915 -3.211 5.789 1.00 0.00 C ATOM 452 O SER A 31 -17.081 -2.690 6.892 1.00 0.00 O ATOM 453 CB SER A 31 -16.156 -5.573 5.448 1.00 0.00 C ATOM 454 OG SER A 31 -16.283 -6.135 6.742 1.00 0.00 O ATOM 0 H SER A 31 -14.313 -4.812 6.925 1.00 0.00 H new ATOM 0 HA SER A 31 -15.274 -3.823 4.566 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.110 -5.640 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.433 -6.147 4.868 1.00 0.00 H new ATOM 0 HG SER A 31 -15.392 -6.292 7.119 1.00 0.00 H new ATOM 460 N THR A 32 -17.752 -3.038 4.774 1.00 0.00 N ATOM 461 CA THR A 32 -18.939 -2.210 4.897 1.00 0.00 C ATOM 462 C THR A 32 -19.977 -2.922 5.740 1.00 0.00 C ATOM 463 O THR A 32 -20.649 -2.320 6.578 1.00 0.00 O ATOM 464 CB THR A 32 -19.515 -1.898 3.518 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.716 -2.467 2.495 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.631 -0.417 3.239 1.00 0.00 C ATOM 0 H THR A 32 -17.628 -3.463 3.855 1.00 0.00 H new ATOM 0 HA THR A 32 -18.664 -1.273 5.381 1.00 0.00 H new ATOM 0 HB THR A 32 -20.515 -2.331 3.522 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.917 -3.423 2.417 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.047 -0.266 2.243 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.286 0.043 3.979 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.644 0.042 3.293 1.00 0.00 H new ATOM 474 N ASP A 33 -20.093 -4.216 5.503 1.00 0.00 N ATOM 475 CA ASP A 33 -21.041 -5.045 6.224 1.00 0.00 C ATOM 476 C ASP A 33 -20.507 -5.420 7.599 1.00 0.00 C ATOM 477 O ASP A 33 -21.245 -5.430 8.585 1.00 0.00 O ATOM 478 CB ASP A 33 -21.365 -6.308 5.423 1.00 0.00 C ATOM 479 CG ASP A 33 -22.562 -6.123 4.511 1.00 0.00 C ATOM 480 OD1 ASP A 33 -22.499 -5.250 3.619 1.00 0.00 O ATOM 481 OD2 ASP A 33 -23.562 -6.849 4.688 1.00 0.00 O ATOM 0 H ASP A 33 -19.537 -4.719 4.811 1.00 0.00 H new ATOM 0 HA ASP A 33 -21.956 -4.467 6.359 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.497 -6.589 4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -21.559 -7.131 6.111 1.00 0.00 H new ATOM 486 N GLY A 34 -19.221 -5.730 7.654 1.00 0.00 N ATOM 487 CA GLY A 34 -18.599 -6.105 8.910 1.00 0.00 C ATOM 488 C GLY A 34 -18.283 -7.585 8.976 1.00 0.00 C ATOM 489 O GLY A 34 -18.221 -8.166 10.060 1.00 0.00 O ATOM 0 H GLY A 34 -18.594 -5.729 6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.680 -5.533 9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.261 -5.840 9.734 1.00 0.00 H new ATOM 493 N ASP A 35 -18.086 -8.198 7.813 1.00 0.00 N ATOM 494 CA ASP A 35 -17.778 -9.621 7.742 1.00 0.00 C ATOM 495 C ASP A 35 -16.303 -9.851 7.425 1.00 0.00 C ATOM 496 O ASP A 35 -15.774 -10.939 7.654 1.00 0.00 O ATOM 497 CB ASP A 35 -18.650 -10.300 6.686 1.00 0.00 C ATOM 498 CG ASP A 35 -19.999 -10.722 7.235 1.00 0.00 C ATOM 499 OD1 ASP A 35 -20.417 -10.167 8.273 1.00 0.00 O ATOM 500 OD2 ASP A 35 -20.638 -11.605 6.627 1.00 0.00 O ATOM 0 H ASP A 35 -18.134 -7.731 6.907 1.00 0.00 H new ATOM 0 HA ASP A 35 -17.990 -10.059 8.717 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.799 -9.618 5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.129 -11.175 6.297 1.00 0.00 H new ATOM 505 N LYS A 36 -15.641 -8.826 6.896 1.00 0.00 N ATOM 506 CA LYS A 36 -14.227 -8.933 6.551 1.00 0.00 C ATOM 507 C LYS A 36 -13.426 -7.785 7.153 1.00 0.00 C ATOM 508 O LYS A 36 -13.907 -6.656 7.239 1.00 0.00 O ATOM 509 CB LYS A 36 -14.052 -8.960 5.032 1.00 0.00 C ATOM 510 CG LYS A 36 -14.742 -10.136 4.362 1.00 0.00 C ATOM 511 CD LYS A 36 -15.240 -9.775 2.972 1.00 0.00 C ATOM 512 CE LYS A 36 -14.292 -10.273 1.894 1.00 0.00 C ATOM 513 NZ LYS A 36 -14.979 -10.444 0.584 1.00 0.00 N ATOM 0 H LYS A 36 -16.058 -7.917 6.698 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.848 -9.866 6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.443 -8.033 4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.988 -8.992 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.049 -10.975 4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.581 -10.464 4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.229 -10.206 2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.347 -8.693 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.468 -9.569 1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.859 -11.224 2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.354 -10.119 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.208 -11.448 0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.855 -9.884 0.576 1.00 0.00 H new ATOM 527 N VAL A 37 -12.202 -8.087 7.573 1.00 0.00 N ATOM 528 CA VAL A 37 -11.335 -7.082 8.172 1.00 0.00 C ATOM 529 C VAL A 37 -9.875 -7.300 7.774 1.00 0.00 C ATOM 530 O VAL A 37 -9.479 -8.405 7.404 1.00 0.00 O ATOM 531 CB VAL A 37 -11.476 -7.084 9.716 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.290 -7.761 10.393 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.655 -5.667 10.231 1.00 0.00 C ATOM 0 H VAL A 37 -11.790 -9.018 7.509 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.648 -6.109 7.794 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.364 -7.664 9.967 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.428 -7.741 11.474 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.220 -8.795 10.055 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.373 -7.232 10.135 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.753 -5.684 11.316 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.788 -5.067 9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.553 -5.231 9.793 1.00 0.00 H new ATOM 543 N HIS A 38 -9.081 -6.237 7.857 1.00 0.00 N ATOM 544 CA HIS A 38 -7.664 -6.305 7.510 1.00 0.00 C ATOM 545 C HIS A 38 -6.884 -5.200 8.215 1.00 0.00 C ATOM 546 O HIS A 38 -7.406 -4.111 8.442 1.00 0.00 O ATOM 547 CB HIS A 38 -7.479 -6.193 5.995 1.00 0.00 C ATOM 548 CG HIS A 38 -6.283 -6.933 5.483 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.370 -8.150 4.841 1.00 0.00 N ATOM 550 CD2 HIS A 38 -4.966 -6.625 5.524 1.00 0.00 C ATOM 551 CE1 HIS A 38 -5.158 -8.558 4.508 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.288 -7.650 4.911 1.00 0.00 N ATOM 0 H HIS A 38 -9.395 -5.316 8.162 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.278 -7.269 7.841 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.372 -6.574 5.499 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.388 -5.141 5.725 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -7.235 -8.657 4.652 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.529 -5.738 5.958 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.920 -9.477 3.994 1.00 0.00 H new ATOM 561 N THR A 39 -5.634 -5.488 8.568 1.00 0.00 N ATOM 562 CA THR A 39 -4.797 -4.509 9.255 1.00 0.00 C ATOM 563 C THR A 39 -3.435 -4.369 8.580 1.00 0.00 C ATOM 564 O THR A 39 -2.783 -5.363 8.260 1.00 0.00 O ATOM 565 CB THR A 39 -4.613 -4.908 10.720 1.00 0.00 C ATOM 566 OG1 THR A 39 -5.867 -5.117 11.344 1.00 0.00 O ATOM 567 CG2 THR A 39 -3.862 -3.873 11.531 1.00 0.00 C ATOM 0 H THR A 39 -5.181 -6.385 8.391 1.00 0.00 H new ATOM 0 HA THR A 39 -5.302 -3.544 9.203 1.00 0.00 H new ATOM 0 HB THR A 39 -4.026 -5.826 10.699 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.728 -5.373 12.280 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.766 -4.217 12.561 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.870 -3.725 11.104 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.409 -2.930 11.513 1.00 0.00 H new ATOM 575 N VAL A 40 -3.008 -3.125 8.378 1.00 0.00 N ATOM 576 CA VAL A 40 -1.721 -2.844 7.753 1.00 0.00 C ATOM 577 C VAL A 40 -0.892 -1.927 8.623 1.00 0.00 C ATOM 578 O VAL A 40 -1.381 -0.923 9.127 1.00 0.00 O ATOM 579 CB VAL A 40 -1.887 -2.196 6.366 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.674 -1.346 5.988 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.123 -3.268 5.328 1.00 0.00 C ATOM 0 H VAL A 40 -3.538 -2.294 8.640 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.214 -3.802 7.634 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.750 -1.531 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.830 -0.906 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.543 -0.552 6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.218 -1.973 5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.240 -2.806 4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.272 -3.949 5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.027 -3.823 5.578 1.00 0.00 H new ATOM 591 N VAL A 41 0.368 -2.263 8.786 1.00 0.00 N ATOM 592 CA VAL A 41 1.249 -1.434 9.589 1.00 0.00 C ATOM 593 C VAL A 41 2.130 -0.556 8.708 1.00 0.00 C ATOM 594 O VAL A 41 3.108 -1.023 8.125 1.00 0.00 O ATOM 595 CB VAL A 41 2.104 -2.272 10.559 1.00 0.00 C ATOM 596 CG1 VAL A 41 3.119 -1.402 11.291 1.00 0.00 C ATOM 597 CG2 VAL A 41 1.198 -2.982 11.550 1.00 0.00 C ATOM 0 H VAL A 41 0.804 -3.091 8.381 1.00 0.00 H new ATOM 0 HA VAL A 41 0.615 -0.785 10.193 1.00 0.00 H new ATOM 0 HB VAL A 41 2.659 -3.012 9.983 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.708 -2.021 11.968 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.780 -0.927 10.567 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.596 -0.635 11.862 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.803 -3.575 12.236 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.627 -2.244 12.114 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.513 -3.637 11.012 1.00 0.00 H new ATOM 607 N LEU A 42 1.768 0.719 8.617 1.00 0.00 N ATOM 608 CA LEU A 42 2.513 1.676 7.807 1.00 0.00 C ATOM 609 C LEU A 42 3.998 1.661 8.167 1.00 0.00 C ATOM 610 O LEU A 42 4.847 2.007 7.346 1.00 0.00 O ATOM 611 CB LEU A 42 1.939 3.083 7.987 1.00 0.00 C ATOM 612 CG LEU A 42 0.614 3.343 7.263 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.737 2.986 5.790 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.520 2.559 7.913 1.00 0.00 C ATOM 0 H LEU A 42 0.960 1.115 9.096 1.00 0.00 H new ATOM 0 HA LEU A 42 2.414 1.384 6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.795 3.266 9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.675 3.806 7.636 1.00 0.00 H new ATOM 0 HG LEU A 42 0.381 4.405 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.212 3.176 5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.517 3.594 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.994 1.931 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.451 2.759 7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.298 1.493 7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.623 2.864 8.954 1.00 0.00 H new ATOM 626 N SER A 43 4.305 1.254 9.396 1.00 0.00 N ATOM 627 CA SER A 43 5.688 1.192 9.856 1.00 0.00 C ATOM 628 C SER A 43 6.479 0.166 9.053 1.00 0.00 C ATOM 629 O SER A 43 7.686 0.309 8.856 1.00 0.00 O ATOM 630 CB SER A 43 5.740 0.845 11.345 1.00 0.00 C ATOM 631 OG SER A 43 7.055 0.983 11.856 1.00 0.00 O ATOM 0 H SER A 43 3.616 0.963 10.089 1.00 0.00 H new ATOM 0 HA SER A 43 6.140 2.173 9.706 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.062 1.496 11.897 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.394 -0.177 11.496 1.00 0.00 H new ATOM 0 HG SER A 43 7.061 0.757 12.810 1.00 0.00 H new ATOM 637 N THR A 44 5.786 -0.864 8.587 1.00 0.00 N ATOM 638 CA THR A 44 6.411 -1.919 7.795 1.00 0.00 C ATOM 639 C THR A 44 6.278 -1.616 6.314 1.00 0.00 C ATOM 640 O THR A 44 7.151 -1.949 5.514 1.00 0.00 O ATOM 641 CB THR A 44 5.771 -3.277 8.099 1.00 0.00 C ATOM 642 OG1 THR A 44 4.625 -3.485 7.291 1.00 0.00 O ATOM 643 CG2 THR A 44 5.342 -3.427 9.540 1.00 0.00 C ATOM 0 H THR A 44 4.786 -0.993 8.744 1.00 0.00 H new ATOM 0 HA THR A 44 7.467 -1.960 8.061 1.00 0.00 H new ATOM 0 HB THR A 44 6.546 -4.013 7.886 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.981 -2.762 7.444 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.897 -4.411 9.687 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.210 -3.321 10.191 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.609 -2.658 9.783 1.00 0.00 H new ATOM 651 N ILE A 45 5.167 -0.986 5.964 1.00 0.00 N ATOM 652 CA ILE A 45 4.885 -0.628 4.579 1.00 0.00 C ATOM 653 C ILE A 45 6.111 -0.020 3.902 1.00 0.00 C ATOM 654 O ILE A 45 6.515 1.102 4.209 1.00 0.00 O ATOM 655 CB ILE A 45 3.696 0.355 4.486 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.416 -0.318 4.985 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.511 0.854 3.058 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.146 -1.664 4.343 1.00 0.00 C ATOM 0 H ILE A 45 4.440 -0.710 6.624 1.00 0.00 H new ATOM 0 HA ILE A 45 4.620 -1.548 4.058 1.00 0.00 H new ATOM 0 HB ILE A 45 3.913 1.215 5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.481 -0.447 6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.570 0.342 4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.668 1.544 3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.415 1.368 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.317 0.008 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.223 -2.081 4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.048 -1.540 3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.973 -2.341 4.556 1.00 0.00 H new ATOM 670 N ASP A 46 6.697 -0.776 2.980 1.00 0.00 N ATOM 671 CA ASP A 46 7.878 -0.326 2.256 1.00 0.00 C ATOM 672 C ASP A 46 7.562 0.884 1.382 1.00 0.00 C ATOM 673 O ASP A 46 8.411 1.752 1.187 1.00 0.00 O ATOM 674 CB ASP A 46 8.433 -1.460 1.394 1.00 0.00 C ATOM 675 CG ASP A 46 9.949 -1.462 1.348 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.546 -0.367 1.408 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.538 -2.559 1.251 1.00 0.00 O ATOM 0 H ASP A 46 6.371 -1.706 2.716 1.00 0.00 H new ATOM 0 HA ASP A 46 8.629 -0.031 2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.083 -2.415 1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.042 -1.368 0.381 1.00 0.00 H new ATOM 682 N LYS A 47 6.343 0.937 0.851 1.00 0.00 N ATOM 683 CA LYS A 47 5.943 2.047 -0.004 1.00 0.00 C ATOM 684 C LYS A 47 4.441 2.038 -0.264 1.00 0.00 C ATOM 685 O LYS A 47 3.759 1.042 -0.022 1.00 0.00 O ATOM 686 CB LYS A 47 6.698 1.995 -1.336 1.00 0.00 C ATOM 687 CG LYS A 47 7.055 0.588 -1.790 1.00 0.00 C ATOM 688 CD LYS A 47 8.013 0.610 -2.970 1.00 0.00 C ATOM 689 CE LYS A 47 8.405 -0.796 -3.395 1.00 0.00 C ATOM 690 NZ LYS A 47 8.866 -0.841 -4.809 1.00 0.00 N ATOM 0 H LYS A 47 5.622 0.230 0.997 1.00 0.00 H new ATOM 0 HA LYS A 47 6.194 2.970 0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.090 2.471 -2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.613 2.580 -1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.508 0.041 -0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.147 0.052 -2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.548 1.128 -3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.907 1.173 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.197 -1.164 -2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.553 -1.464 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.124 -1.817 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.102 -0.514 -5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.695 -0.224 -4.924 1.00 0.00 H new ATOM 704 N LEU A 48 3.937 3.160 -0.766 1.00 0.00 N ATOM 705 CA LEU A 48 2.521 3.304 -1.076 1.00 0.00 C ATOM 706 C LEU A 48 2.313 3.331 -2.587 1.00 0.00 C ATOM 707 O LEU A 48 3.256 3.557 -3.344 1.00 0.00 O ATOM 708 CB LEU A 48 1.973 4.590 -0.451 1.00 0.00 C ATOM 709 CG LEU A 48 0.871 4.392 0.589 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.474 4.159 1.966 1.00 0.00 C ATOM 711 CD2 LEU A 48 -0.061 5.596 0.609 1.00 0.00 C ATOM 0 H LEU A 48 4.495 3.990 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 48 1.984 2.451 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.798 5.128 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.588 5.226 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 48 0.290 3.511 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.675 4.020 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.102 3.269 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.077 5.021 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.841 5.440 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.507 6.492 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.518 5.719 -0.373 1.00 0.00 H new ATOM 723 N GLN A 49 1.079 3.103 -3.025 1.00 0.00 N ATOM 724 CA GLN A 49 0.771 3.109 -4.451 1.00 0.00 C ATOM 725 C GLN A 49 -0.615 3.689 -4.709 1.00 0.00 C ATOM 726 O GLN A 49 -1.574 3.370 -4.006 1.00 0.00 O ATOM 727 CB GLN A 49 0.856 1.693 -5.024 1.00 0.00 C ATOM 728 CG GLN A 49 2.036 0.891 -4.496 1.00 0.00 C ATOM 729 CD GLN A 49 2.502 -0.171 -5.472 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.103 -1.332 -5.382 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.354 0.223 -6.411 1.00 0.00 N ATOM 0 H GLN A 49 0.281 2.913 -2.418 1.00 0.00 H new ATOM 0 HA GLN A 49 1.508 3.739 -4.949 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.067 1.161 -4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.926 1.753 -6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.863 1.568 -4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.757 0.417 -3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.658 1.196 -6.448 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.704 -0.447 -7.095 1.00 0.00 H new ATOM 740 N ALA A 50 -0.713 4.542 -5.724 1.00 0.00 N ATOM 741 CA ALA A 50 -1.980 5.167 -6.077 1.00 0.00 C ATOM 742 C ALA A 50 -2.024 5.523 -7.558 1.00 0.00 C ATOM 743 O ALA A 50 -1.089 6.118 -8.092 1.00 0.00 O ATOM 744 CB ALA A 50 -2.215 6.408 -5.230 1.00 0.00 C ATOM 0 H ALA A 50 0.071 4.815 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.775 4.449 -5.877 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.166 6.863 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.239 6.130 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.409 7.122 -5.399 1.00 0.00 H new ATOM 847 N MET A 58 -9.306 4.289 -10.423 1.00 0.00 N ATOM 848 CA MET A 58 -8.906 4.629 -9.063 1.00 0.00 C ATOM 849 C MET A 58 -8.556 3.374 -8.269 1.00 0.00 C ATOM 850 O MET A 58 -9.440 2.612 -7.874 1.00 0.00 O ATOM 851 CB MET A 58 -10.026 5.396 -8.359 1.00 0.00 C ATOM 852 CG MET A 58 -10.184 6.826 -8.846 1.00 0.00 C ATOM 853 SD MET A 58 -10.787 6.921 -10.543 1.00 0.00 S ATOM 854 CE MET A 58 -9.413 7.742 -11.345 1.00 0.00 C ATOM 0 HA MET A 58 -8.020 5.261 -9.118 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.967 4.865 -8.506 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.830 5.406 -7.287 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.875 7.355 -8.189 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.224 7.337 -8.777 1.00 0.00 H new ATOM 0 HE1 MET A 58 -9.635 7.873 -12.404 1.00 0.00 H new ATOM 0 HE2 MET A 58 -9.253 8.717 -10.884 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.513 7.136 -11.236 1.00 0.00 H new ATOM 864 N MET A 59 -7.264 3.165 -8.038 1.00 0.00 N ATOM 865 CA MET A 59 -6.802 2.001 -7.290 1.00 0.00 C ATOM 866 C MET A 59 -5.510 2.312 -6.540 1.00 0.00 C ATOM 867 O MET A 59 -4.624 2.987 -7.065 1.00 0.00 O ATOM 868 CB MET A 59 -6.580 0.815 -8.232 1.00 0.00 C ATOM 869 CG MET A 59 -7.653 0.670 -9.299 1.00 0.00 C ATOM 870 SD MET A 59 -7.283 -0.637 -10.485 1.00 0.00 S ATOM 871 CE MET A 59 -5.601 -0.218 -10.937 1.00 0.00 C ATOM 0 H MET A 59 -6.520 3.785 -8.357 1.00 0.00 H new ATOM 0 HA MET A 59 -7.572 1.742 -6.564 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.610 0.925 -8.718 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.539 -0.102 -7.644 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.610 0.460 -8.820 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.762 1.616 -9.829 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.376 -0.627 -11.922 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.490 0.866 -10.960 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.912 -0.638 -10.204 1.00 0.00 H new ATOM 881 N LEU A 60 -5.410 1.815 -5.311 1.00 0.00 N ATOM 882 CA LEU A 60 -4.225 2.039 -4.490 1.00 0.00 C ATOM 883 C LEU A 60 -3.640 0.714 -4.004 1.00 0.00 C ATOM 884 O LEU A 60 -4.363 -0.267 -3.830 1.00 0.00 O ATOM 885 CB LEU A 60 -4.568 2.927 -3.291 1.00 0.00 C ATOM 886 CG LEU A 60 -4.385 4.428 -3.521 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.498 4.975 -4.400 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.340 5.167 -2.192 1.00 0.00 C ATOM 0 H LEU A 60 -6.135 1.255 -4.862 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.479 2.542 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.604 2.743 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.947 2.626 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.437 4.585 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.350 6.044 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.484 4.466 -5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.460 4.807 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.209 6.234 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.273 5.002 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.506 4.795 -1.597 1.00 0.00 H new ATOM 900 N ARG A 61 -2.329 0.696 -3.782 1.00 0.00 N ATOM 901 CA ARG A 61 -1.649 -0.508 -3.310 1.00 0.00 C ATOM 902 C ARG A 61 -0.735 -0.185 -2.133 1.00 0.00 C ATOM 903 O ARG A 61 -0.271 0.945 -1.987 1.00 0.00 O ATOM 904 CB ARG A 61 -0.841 -1.157 -4.440 1.00 0.00 C ATOM 905 CG ARG A 61 -1.446 -0.962 -5.821 1.00 0.00 C ATOM 906 CD ARG A 61 -0.476 -1.375 -6.917 1.00 0.00 C ATOM 907 NE ARG A 61 -1.168 -1.920 -8.083 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.553 -2.548 -9.083 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.764 -2.710 -9.064 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.257 -3.014 -10.105 1.00 0.00 N ATOM 0 H ARG A 61 -1.716 1.500 -3.921 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.410 -1.214 -2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.168 -0.745 -4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.750 -2.225 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.362 -1.547 -5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.723 0.084 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.119 -0.513 -7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.217 -2.120 -6.526 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.181 -1.813 -8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.311 -2.353 -8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.230 -3.192 -9.833 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.269 -2.891 -10.125 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.786 -3.495 -10.871 1.00 0.00 H new ATOM 924 N LEU A 62 -0.490 -1.183 -1.291 1.00 0.00 N ATOM 925 CA LEU A 62 0.359 -1.004 -0.119 1.00 0.00 C ATOM 926 C LEU A 62 1.464 -2.056 -0.073 1.00 0.00 C ATOM 927 O LEU A 62 1.194 -3.245 0.093 1.00 0.00 O ATOM 928 CB LEU A 62 -0.493 -1.085 1.154 1.00 0.00 C ATOM 929 CG LEU A 62 -0.191 -0.052 2.254 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.663 1.097 1.744 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.489 0.482 2.834 1.00 0.00 C ATOM 0 H LEU A 62 -0.867 -2.125 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 62 0.829 -0.022 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.540 -0.983 0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.374 -2.081 1.580 1.00 0.00 H new ATOM 0 HG LEU A 62 0.378 -0.560 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.850 1.800 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.612 0.709 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.141 1.607 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.267 1.212 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.071 0.958 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.062 -0.341 3.262 1.00 0.00 H new ATOM 943 N ILE A 63 2.707 -1.608 -0.214 1.00 0.00 N ATOM 944 CA ILE A 63 3.852 -2.510 -0.181 1.00 0.00 C ATOM 945 C ILE A 63 4.329 -2.717 1.250 1.00 0.00 C ATOM 946 O ILE A 63 4.562 -1.755 1.978 1.00 0.00 O ATOM 947 CB ILE A 63 5.020 -1.969 -1.033 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.578 -1.797 -2.485 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.222 -2.901 -0.950 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.055 -3.073 -3.105 1.00 0.00 C ATOM 0 H ILE A 63 2.947 -0.626 -0.352 1.00 0.00 H new ATOM 0 HA ILE A 63 3.527 -3.463 -0.599 1.00 0.00 H new ATOM 0 HB ILE A 63 5.314 -0.996 -0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.802 -1.033 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.420 -1.434 -3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.034 -2.502 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.549 -2.981 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.943 -3.888 -1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.758 -2.881 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.836 -3.833 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.193 -3.426 -2.539 1.00 0.00 H new ATOM 962 N GLY A 64 4.467 -3.978 1.647 1.00 0.00 N ATOM 963 CA GLY A 64 4.913 -4.287 2.996 1.00 0.00 C ATOM 964 C GLY A 64 6.403 -4.560 3.069 1.00 0.00 C ATOM 965 O GLY A 64 7.045 -4.805 2.049 1.00 0.00 O ATOM 0 H GLY A 64 4.279 -4.791 1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.667 -3.455 3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.369 -5.157 3.364 1.00 0.00 H new ATOM 969 N LYS A 65 6.956 -4.518 4.280 1.00 0.00 N ATOM 970 CA LYS A 65 8.379 -4.765 4.473 1.00 0.00 C ATOM 971 C LYS A 65 8.738 -6.195 4.085 1.00 0.00 C ATOM 972 O LYS A 65 7.969 -7.126 4.325 1.00 0.00 O ATOM 973 CB LYS A 65 8.774 -4.500 5.928 1.00 0.00 C ATOM 974 CG LYS A 65 10.090 -3.753 6.075 1.00 0.00 C ATOM 975 CD LYS A 65 10.015 -2.366 5.458 1.00 0.00 C ATOM 976 CE LYS A 65 9.767 -1.300 6.512 1.00 0.00 C ATOM 977 NZ LYS A 65 11.026 -0.614 6.914 1.00 0.00 N ATOM 0 H LYS A 65 6.441 -4.316 5.137 1.00 0.00 H new ATOM 0 HA LYS A 65 8.932 -4.083 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.984 -3.926 6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.845 -5.451 6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.346 -3.669 7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.888 -4.322 5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.945 -2.150 4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.216 -2.339 4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.060 -0.565 6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.306 -1.756 7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.814 0.106 7.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.691 -1.311 7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.453 -0.157 6.083 1.00 0.00 H new ATOM 1007 N ASP A 67 12.600 -8.461 3.458 1.00 0.00 N ATOM 1008 CA ASP A 67 13.735 -8.953 4.228 1.00 0.00 C ATOM 1009 C ASP A 67 15.050 -8.450 3.640 1.00 0.00 C ATOM 1010 O ASP A 67 15.532 -8.974 2.636 1.00 0.00 O ATOM 1011 CB ASP A 67 13.730 -10.483 4.263 1.00 0.00 C ATOM 1012 CG ASP A 67 12.839 -11.033 5.360 1.00 0.00 C ATOM 1013 OD1 ASP A 67 11.617 -11.151 5.128 1.00 0.00 O ATOM 1014 OD2 ASP A 67 13.363 -11.345 6.450 1.00 0.00 O ATOM 0 HA ASP A 67 13.644 -8.573 5.246 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.393 -10.865 3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.748 -10.844 4.410 1.00 0.00 H new ATOM 1019 N GLU A 68 15.623 -7.432 4.272 1.00 0.00 N ATOM 1020 CA GLU A 68 16.883 -6.857 3.811 1.00 0.00 C ATOM 1021 C GLU A 68 17.994 -7.902 3.796 1.00 0.00 C ATOM 1022 O GLU A 68 18.998 -7.743 3.102 1.00 0.00 O ATOM 1023 CB GLU A 68 17.285 -5.679 4.701 1.00 0.00 C ATOM 1024 CG GLU A 68 16.400 -4.456 4.529 1.00 0.00 C ATOM 1025 CD GLU A 68 16.698 -3.696 3.252 1.00 0.00 C ATOM 1026 OE1 GLU A 68 17.285 -4.296 2.328 1.00 0.00 O ATOM 1027 OE2 GLU A 68 16.344 -2.500 3.176 1.00 0.00 O ATOM 0 H GLU A 68 15.236 -6.988 5.105 1.00 0.00 H new ATOM 0 HA GLU A 68 16.736 -6.502 2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.254 -5.995 5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.317 -5.404 4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.355 -4.766 4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.535 -3.792 5.383 1.00 0.00 H new ATOM 1034 N SER A 69 17.810 -8.969 4.564 1.00 0.00 N ATOM 1035 CA SER A 69 18.799 -10.038 4.638 1.00 0.00 C ATOM 1036 C SER A 69 18.417 -11.198 3.724 1.00 0.00 C ATOM 1037 O SER A 69 18.659 -12.361 4.046 1.00 0.00 O ATOM 1038 CB SER A 69 18.941 -10.534 6.078 1.00 0.00 C ATOM 1039 OG SER A 69 18.610 -9.513 7.004 1.00 0.00 O ATOM 0 H SER A 69 16.985 -9.117 5.145 1.00 0.00 H new ATOM 0 HA SER A 69 19.756 -9.636 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.292 -11.396 6.235 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.964 -10.869 6.251 1.00 0.00 H new ATOM 0 HG SER A 69 18.707 -9.855 7.917 1.00 0.00 H new ATOM 1045 N LYS A 70 17.818 -10.874 2.583 1.00 0.00 N ATOM 1046 CA LYS A 70 17.401 -11.889 1.622 1.00 0.00 C ATOM 1047 C LYS A 70 17.427 -11.337 0.201 1.00 0.00 C ATOM 1048 O LYS A 70 16.582 -11.682 -0.625 1.00 0.00 O ATOM 1049 CB LYS A 70 15.999 -12.397 1.960 1.00 0.00 C ATOM 1050 CG LYS A 70 15.953 -13.286 3.192 1.00 0.00 C ATOM 1051 CD LYS A 70 16.638 -14.620 2.942 1.00 0.00 C ATOM 1052 CE LYS A 70 17.393 -15.099 4.171 1.00 0.00 C ATOM 1053 NZ LYS A 70 17.656 -16.563 4.125 1.00 0.00 N ATOM 0 H LYS A 70 17.610 -9.916 2.301 1.00 0.00 H new ATOM 0 HA LYS A 70 18.104 -12.720 1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.340 -11.543 2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.608 -12.952 1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.436 -12.778 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.916 -13.457 3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.894 -15.364 2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.329 -14.524 2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.339 -14.563 4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.818 -14.861 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.173 -16.850 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.753 -17.077 4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.227 -16.787 3.285 1.00 0.00 H new ATOM 1067 N LYS A 71 18.400 -10.476 -0.077 1.00 0.00 N ATOM 1068 CA LYS A 71 18.536 -9.877 -1.400 1.00 0.00 C ATOM 1069 C LYS A 71 19.016 -10.906 -2.417 1.00 0.00 C ATOM 1070 O LYS A 71 19.824 -11.777 -2.099 1.00 0.00 O ATOM 1071 CB LYS A 71 19.510 -8.698 -1.349 1.00 0.00 C ATOM 1072 CG LYS A 71 18.940 -7.465 -0.668 1.00 0.00 C ATOM 1073 CD LYS A 71 18.376 -6.480 -1.679 1.00 0.00 C ATOM 1074 CE LYS A 71 18.661 -5.042 -1.275 1.00 0.00 C ATOM 1075 NZ LYS A 71 18.101 -4.069 -2.253 1.00 0.00 N ATOM 0 H LYS A 71 19.106 -10.177 0.596 1.00 0.00 H new ATOM 0 HA LYS A 71 17.556 -9.517 -1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.414 -9.007 -0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 71 19.805 -8.437 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.156 -7.763 0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.720 -6.979 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.809 -6.676 -2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.300 -6.627 -1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.237 -4.851 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.738 -4.895 -1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.736 -3.249 -2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.011 -4.525 -3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 17.164 -3.753 -1.931 1.00 0.00 H new ATOM 1089 N ARG A 72 18.512 -10.798 -3.642 1.00 0.00 N ATOM 1090 CA ARG A 72 18.891 -11.719 -4.707 1.00 0.00 C ATOM 1091 C ARG A 72 18.242 -11.320 -6.029 1.00 0.00 C ATOM 1092 O ARG A 72 17.353 -10.469 -6.063 1.00 0.00 O ATOM 1093 CB ARG A 72 18.487 -13.149 -4.340 1.00 0.00 C ATOM 1094 CG ARG A 72 17.053 -13.269 -3.852 1.00 0.00 C ATOM 1095 CD ARG A 72 16.085 -13.457 -5.009 1.00 0.00 C ATOM 1096 NE ARG A 72 14.884 -14.185 -4.605 1.00 0.00 N ATOM 1097 CZ ARG A 72 13.820 -14.351 -5.388 1.00 0.00 C ATOM 1098 NH1 ARG A 72 13.803 -13.843 -6.614 1.00 0.00 N ATOM 1099 NH2 ARG A 72 12.769 -15.027 -4.942 1.00 0.00 N ATOM 0 H ARG A 72 17.841 -10.083 -3.921 1.00 0.00 H new ATOM 0 HA ARG A 72 19.974 -11.672 -4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 72 18.621 -13.790 -5.211 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.158 -13.520 -3.565 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.970 -14.112 -3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.782 -12.374 -3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.802 -12.482 -5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.583 -13.997 -5.814 1.00 0.00 H new ATOM 0 HE ARG A 72 14.859 -14.589 -3.669 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.608 -13.322 -6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.985 -13.974 -7.209 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.777 -15.419 -4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.953 -15.155 -5.541 1.00 0.00 H new ATOM 1113 N LYS A 73 18.692 -11.939 -7.115 1.00 0.00 N ATOM 1114 CA LYS A 73 18.156 -11.648 -8.439 1.00 0.00 C ATOM 1115 C LYS A 73 16.742 -12.203 -8.588 1.00 0.00 C ATOM 1116 O LYS A 73 16.225 -12.860 -7.684 1.00 0.00 O ATOM 1117 CB LYS A 73 19.064 -12.236 -9.521 1.00 0.00 C ATOM 1118 CG LYS A 73 20.368 -11.477 -9.700 1.00 0.00 C ATOM 1119 CD LYS A 73 21.330 -11.746 -8.555 1.00 0.00 C ATOM 1120 CE LYS A 73 22.774 -11.522 -8.977 1.00 0.00 C ATOM 1121 NZ LYS A 73 23.682 -11.396 -7.804 1.00 0.00 N ATOM 0 H LYS A 73 19.427 -12.646 -7.104 1.00 0.00 H new ATOM 0 HA LYS A 73 18.116 -10.565 -8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 73 19.288 -13.273 -9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 73 18.526 -12.246 -10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 73 20.832 -11.767 -10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 73 20.163 -10.408 -9.761 1.00 0.00 H new ATOM 0 HD2 LYS A 73 21.090 -11.094 -7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 73 21.206 -12.772 -8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 73 23.102 -12.352 -9.603 1.00 0.00 H new ATOM 0 HE3 LYS A 73 22.839 -10.620 -9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 24.657 -11.244 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 23.385 -10.588 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 23.640 -12.267 -7.237 1.00 0.00 H new ATOM 1135 N ASP A 74 16.123 -11.934 -9.732 1.00 0.00 N ATOM 1136 CA ASP A 74 14.769 -12.407 -9.998 1.00 0.00 C ATOM 1137 C ASP A 74 14.775 -13.525 -11.036 1.00 0.00 C ATOM 1138 O ASP A 74 13.804 -13.706 -11.770 1.00 0.00 O ATOM 1139 CB ASP A 74 13.889 -11.251 -10.480 1.00 0.00 C ATOM 1140 CG ASP A 74 12.482 -11.325 -9.922 1.00 0.00 C ATOM 1141 OD1 ASP A 74 12.071 -12.422 -9.490 1.00 0.00 O ATOM 1142 OD2 ASP A 74 11.792 -10.284 -9.914 1.00 0.00 O ATOM 0 H ASP A 74 16.537 -11.391 -10.490 1.00 0.00 H new ATOM 0 HA ASP A 74 14.360 -12.803 -9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.344 -10.305 -10.187 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.846 -11.260 -11.569 1.00 0.00 H new ATOM 1147 N ASN A 75 15.877 -14.273 -11.090 1.00 0.00 N ATOM 1148 CA ASN A 75 16.016 -15.379 -12.038 1.00 0.00 C ATOM 1149 C ASN A 75 16.298 -14.876 -13.455 1.00 0.00 C ATOM 1150 O ASN A 75 16.445 -15.673 -14.383 1.00 0.00 O ATOM 1151 CB ASN A 75 14.755 -16.246 -12.040 1.00 0.00 C ATOM 1152 CG ASN A 75 15.045 -17.691 -12.395 1.00 0.00 C ATOM 1153 OD1 ASN A 75 15.532 -17.989 -13.485 1.00 0.00 O ATOM 1154 ND2 ASN A 75 14.747 -18.598 -11.472 1.00 0.00 N ATOM 0 H ASN A 75 16.688 -14.133 -10.487 1.00 0.00 H new ATOM 0 HA ASN A 75 16.867 -15.979 -11.714 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.287 -16.204 -11.056 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.038 -15.837 -12.752 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.921 -19.587 -11.654 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.344 -18.306 -10.581 1.00 0.00 H new ATOM 1161 N GLU A 76 16.371 -13.559 -13.621 1.00 0.00 N ATOM 1162 CA GLU A 76 16.635 -12.966 -14.927 1.00 0.00 C ATOM 1163 C GLU A 76 18.065 -12.453 -15.004 1.00 0.00 C ATOM 1164 O GLU A 76 18.673 -12.422 -16.074 1.00 0.00 O ATOM 1165 CB GLU A 76 15.657 -11.821 -15.199 1.00 0.00 C ATOM 1166 CG GLU A 76 14.341 -11.944 -14.449 1.00 0.00 C ATOM 1167 CD GLU A 76 13.399 -10.788 -14.729 1.00 0.00 C ATOM 1168 OE1 GLU A 76 12.614 -10.883 -15.696 1.00 0.00 O ATOM 1169 OE2 GLU A 76 13.446 -9.790 -13.980 1.00 0.00 O ATOM 0 H GLU A 76 16.251 -12.882 -12.867 1.00 0.00 H new ATOM 0 HA GLU A 76 16.499 -13.737 -15.685 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.132 -10.878 -14.927 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.452 -11.778 -16.269 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.855 -12.879 -14.727 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.541 -11.994 -13.379 1.00 0.00 H new ATOM 1176 N GLY A 77 18.592 -12.050 -13.858 1.00 0.00 N ATOM 1177 CA GLY A 77 19.948 -11.537 -13.799 1.00 0.00 C ATOM 1178 C GLY A 77 20.008 -10.107 -13.299 1.00 0.00 C ATOM 1179 O GLY A 77 20.904 -9.349 -13.672 1.00 0.00 O ATOM 0 H GLY A 77 18.104 -12.069 -12.963 1.00 0.00 H new ATOM 0 HA2 GLY A 77 20.545 -12.172 -13.145 1.00 0.00 H new ATOM 0 HA3 GLY A 77 20.396 -11.590 -14.791 1.00 0.00 H new ATOM 1183 N ASN A 78 19.051 -9.735 -12.455 1.00 0.00 N ATOM 1184 CA ASN A 78 19.000 -8.386 -11.904 1.00 0.00 C ATOM 1185 C ASN A 78 18.787 -8.423 -10.394 1.00 0.00 C ATOM 1186 O ASN A 78 17.732 -8.838 -9.916 1.00 0.00 O ATOM 1187 CB ASN A 78 17.879 -7.584 -12.569 1.00 0.00 C ATOM 1188 CG ASN A 78 18.167 -7.286 -14.027 1.00 0.00 C ATOM 1189 OD1 ASN A 78 19.044 -6.482 -14.347 1.00 0.00 O ATOM 1190 ND2 ASN A 78 17.430 -7.935 -14.920 1.00 0.00 N ATOM 0 H ASN A 78 18.301 -10.349 -12.138 1.00 0.00 H new ATOM 0 HA ASN A 78 19.955 -7.901 -12.106 1.00 0.00 H new ATOM 0 HB2 ASN A 78 16.944 -8.139 -12.492 1.00 0.00 H new ATOM 0 HB3 ASN A 78 17.738 -6.647 -12.031 1.00 0.00 H new ATOM 0 HD21 ASN A 78 17.579 -7.777 -15.916 1.00 0.00 H new ATOM 0 HD22 ASN A 78 16.714 -8.592 -14.610 1.00 0.00 H new ATOM 1197 N GLU A 79 19.797 -7.985 -9.649 1.00 0.00 N ATOM 1198 CA GLU A 79 19.721 -7.968 -8.192 1.00 0.00 C ATOM 1199 C GLU A 79 18.546 -7.119 -7.718 1.00 0.00 C ATOM 1200 O GLU A 79 18.611 -5.889 -7.732 1.00 0.00 O ATOM 1201 CB GLU A 79 21.026 -7.431 -7.599 1.00 0.00 C ATOM 1202 CG GLU A 79 21.473 -6.112 -8.207 1.00 0.00 C ATOM 1203 CD GLU A 79 22.009 -5.144 -7.171 1.00 0.00 C ATOM 1204 OE1 GLU A 79 22.939 -5.523 -6.429 1.00 0.00 O ATOM 1205 OE2 GLU A 79 21.497 -4.006 -7.101 1.00 0.00 O ATOM 0 H GLU A 79 20.677 -7.637 -10.030 1.00 0.00 H new ATOM 0 HA GLU A 79 19.568 -8.991 -7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.901 -7.302 -6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 79 21.812 -8.172 -7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 79 22.244 -6.303 -8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.632 -5.653 -8.727 1.00 0.00 H new ATOM 1212 N VAL A 80 17.474 -7.783 -7.299 1.00 0.00 N ATOM 1213 CA VAL A 80 16.284 -7.089 -6.821 1.00 0.00 C ATOM 1214 C VAL A 80 15.919 -7.534 -5.407 1.00 0.00 C ATOM 1215 O VAL A 80 16.649 -8.301 -4.780 1.00 0.00 O ATOM 1216 CB VAL A 80 15.081 -7.330 -7.756 1.00 0.00 C ATOM 1217 CG1 VAL A 80 15.404 -6.871 -9.169 1.00 0.00 C ATOM 1218 CG2 VAL A 80 14.673 -8.796 -7.744 1.00 0.00 C ATOM 0 H VAL A 80 17.405 -8.800 -7.281 1.00 0.00 H new ATOM 0 HA VAL A 80 16.518 -6.024 -6.812 1.00 0.00 H new ATOM 0 HB VAL A 80 14.239 -6.743 -7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.544 -7.049 -9.815 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.638 -5.806 -9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 80 16.262 -7.428 -9.545 1.00 0.00 H new ATOM 0 HG21 VAL A 80 13.823 -8.943 -8.410 1.00 0.00 H new ATOM 0 HG22 VAL A 80 15.509 -9.409 -8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.395 -9.088 -6.731 1.00 0.00 H new ATOM 1228 N VAL A 81 14.786 -7.048 -4.914 1.00 0.00 N ATOM 1229 CA VAL A 81 14.323 -7.395 -3.577 1.00 0.00 C ATOM 1230 C VAL A 81 13.169 -8.394 -3.641 1.00 0.00 C ATOM 1231 O VAL A 81 12.280 -8.270 -4.484 1.00 0.00 O ATOM 1232 CB VAL A 81 13.865 -6.146 -2.800 1.00 0.00 C ATOM 1233 CG1 VAL A 81 13.597 -6.490 -1.344 1.00 0.00 C ATOM 1234 CG2 VAL A 81 14.901 -5.038 -2.913 1.00 0.00 C ATOM 0 H VAL A 81 14.171 -6.412 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 81 15.166 -7.848 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 81 12.934 -5.788 -3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.275 -5.595 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.815 -7.247 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.509 -6.875 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 81 14.561 -4.164 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.849 -5.383 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 81 15.037 -4.772 -3.961 1.00 0.00 H new ATOM 1244 N PRO A 82 13.164 -9.401 -2.749 1.00 0.00 N ATOM 1245 CA PRO A 82 12.107 -10.418 -2.717 1.00 0.00 C ATOM 1246 C PRO A 82 10.712 -9.803 -2.713 1.00 0.00 C ATOM 1247 O PRO A 82 10.461 -8.810 -2.031 1.00 0.00 O ATOM 1248 CB PRO A 82 12.370 -11.161 -1.407 1.00 0.00 C ATOM 1249 CG PRO A 82 13.829 -10.987 -1.161 1.00 0.00 C ATOM 1250 CD PRO A 82 14.181 -9.630 -1.705 1.00 0.00 C ATOM 0 HA PRO A 82 12.131 -11.060 -3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.778 -10.746 -0.591 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.105 -12.215 -1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 82 14.056 -11.052 -0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 82 14.405 -11.768 -1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 82 14.140 -8.864 -0.930 1.00 0.00 H new ATOM 0 HD3 PRO A 82 15.190 -9.613 -2.117 1.00 0.00 H new ATOM 1258 N LYS A 83 9.808 -10.402 -3.483 1.00 0.00 N ATOM 1259 CA LYS A 83 8.431 -9.918 -3.578 1.00 0.00 C ATOM 1260 C LYS A 83 7.848 -9.627 -2.194 1.00 0.00 C ATOM 1261 O LYS A 83 7.498 -10.547 -1.455 1.00 0.00 O ATOM 1262 CB LYS A 83 7.559 -10.946 -4.302 1.00 0.00 C ATOM 1263 CG LYS A 83 8.089 -11.340 -5.671 1.00 0.00 C ATOM 1264 CD LYS A 83 8.315 -10.124 -6.554 1.00 0.00 C ATOM 1265 CE LYS A 83 8.448 -10.515 -8.018 1.00 0.00 C ATOM 1266 NZ LYS A 83 7.797 -9.524 -8.918 1.00 0.00 N ATOM 0 H LYS A 83 10.003 -11.226 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 83 8.442 -8.988 -4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.476 -11.839 -3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.553 -10.542 -4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.025 -11.886 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.383 -12.016 -6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.484 -9.428 -6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.216 -9.602 -6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.503 -10.602 -8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.000 -11.496 -8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.910 -9.826 -9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.785 -9.460 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.241 -8.593 -8.788 1.00 0.00 H new ATOM 1280 N PRO A 84 7.733 -8.337 -1.824 1.00 0.00 N ATOM 1281 CA PRO A 84 7.188 -7.935 -0.524 1.00 0.00 C ATOM 1282 C PRO A 84 5.675 -8.102 -0.447 1.00 0.00 C ATOM 1283 O PRO A 84 4.961 -7.825 -1.411 1.00 0.00 O ATOM 1284 CB PRO A 84 7.563 -6.459 -0.431 1.00 0.00 C ATOM 1285 CG PRO A 84 7.604 -6.005 -1.843 1.00 0.00 C ATOM 1286 CD PRO A 84 8.123 -7.172 -2.638 1.00 0.00 C ATOM 0 HA PRO A 84 7.581 -8.546 0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.829 -5.897 0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.527 -6.323 0.059 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.613 -5.709 -2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.253 -5.137 -1.955 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.680 -7.210 -3.633 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.203 -7.119 -2.772 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.884 -5.260 -0.499 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.336 -5.382 -0.561 1.00 0.00 C ATOM 1337 C HIS A 87 -2.900 -4.531 -1.694 1.00 0.00 C ATOM 1338 O HIS A 87 -2.623 -3.335 -1.781 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.964 -4.960 0.771 1.00 0.00 C ATOM 1340 CG HIS A 87 -2.202 -5.433 1.971 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -2.237 -6.737 2.419 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -1.381 -4.768 2.817 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -1.470 -6.852 3.490 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.940 -5.672 3.751 1.00 0.00 N ATOM 0 HA HIS A 87 -2.582 -6.426 -0.754 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.034 -3.873 0.801 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.982 -5.347 0.822 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -2.771 -7.494 1.991 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -1.121 -3.721 2.767 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -1.305 -7.758 4.055 1.00 0.00 H new ATOM 1353 N MET A 88 -3.691 -5.155 -2.559 1.00 0.00 N ATOM 1354 CA MET A 88 -4.289 -4.453 -3.689 1.00 0.00 C ATOM 1355 C MET A 88 -5.615 -3.808 -3.295 1.00 0.00 C ATOM 1356 O MET A 88 -6.606 -4.499 -3.057 1.00 0.00 O ATOM 1357 CB MET A 88 -4.506 -5.415 -4.858 1.00 0.00 C ATOM 1358 CG MET A 88 -4.742 -4.717 -6.187 1.00 0.00 C ATOM 1359 SD MET A 88 -4.158 -5.684 -7.592 1.00 0.00 S ATOM 1360 CE MET A 88 -3.071 -4.503 -8.387 1.00 0.00 C ATOM 0 H MET A 88 -3.933 -6.144 -2.500 1.00 0.00 H new ATOM 0 HA MET A 88 -3.601 -3.665 -3.997 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.636 -6.065 -4.948 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.360 -6.055 -4.637 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.807 -4.519 -6.305 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.237 -3.751 -6.181 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.914 -4.795 -9.425 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.524 -3.512 -8.353 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.113 -4.482 -7.867 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.626 -2.481 -3.232 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.830 -1.741 -2.872 1.00 0.00 C ATOM 1372 C PHE A 89 -7.393 -1.007 -4.085 1.00 0.00 C ATOM 1373 O PHE A 89 -6.648 -0.412 -4.862 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.527 -0.744 -1.752 1.00 0.00 C ATOM 1375 CG PHE A 89 -6.048 -1.393 -0.484 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.868 -2.262 0.216 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.780 -1.133 0.006 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.432 -2.861 1.383 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.336 -1.727 1.172 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.163 -2.593 1.862 1.00 0.00 C ATOM 0 H PHE A 89 -4.814 -1.895 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.576 -2.453 -2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.771 -0.040 -2.098 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.426 -0.166 -1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.860 -2.474 -0.154 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.129 -0.457 -0.530 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.081 -3.537 1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.344 -1.515 1.543 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.819 -3.059 2.773 1.00 0.00 H new ATOM 1390 N SER A 90 -8.711 -1.056 -4.243 1.00 0.00 N ATOM 1391 CA SER A 90 -9.371 -0.398 -5.365 1.00 0.00 C ATOM 1392 C SER A 90 -10.371 0.644 -4.877 1.00 0.00 C ATOM 1393 O SER A 90 -11.330 0.318 -4.179 1.00 0.00 O ATOM 1394 CB SER A 90 -10.080 -1.430 -6.243 1.00 0.00 C ATOM 1395 OG SER A 90 -10.504 -2.545 -5.479 1.00 0.00 O ATOM 0 H SER A 90 -9.343 -1.544 -3.609 1.00 0.00 H new ATOM 0 HA SER A 90 -8.607 0.109 -5.955 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.941 -0.969 -6.728 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.408 -1.762 -7.034 1.00 0.00 H new ATOM 0 HG SER A 90 -10.956 -3.189 -6.063 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.142 1.899 -5.249 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.025 2.987 -4.850 1.00 0.00 C ATOM 1403 C PHE A 91 -12.028 3.306 -5.954 1.00 0.00 C ATOM 1404 O PHE A 91 -12.005 2.690 -7.020 1.00 0.00 O ATOM 1405 CB PHE A 91 -10.206 4.229 -4.500 1.00 0.00 C ATOM 1406 CG PHE A 91 -9.442 4.090 -3.214 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.482 3.103 -3.067 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.689 4.942 -2.151 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.781 2.968 -1.883 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.994 4.815 -0.966 1.00 0.00 C ATOM 1411 CZ PHE A 91 -8.038 3.827 -0.830 1.00 0.00 C ATOM 0 H PHE A 91 -9.352 2.187 -5.826 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.581 2.671 -3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.507 4.436 -5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.873 5.088 -4.428 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.278 2.430 -3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.435 5.716 -2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.035 2.194 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.197 5.487 -0.146 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.493 3.726 0.097 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.916 4.263 -5.693 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.930 4.644 -6.672 1.00 0.00 C ATOM 1423 C ASN A 92 -14.187 6.151 -6.660 1.00 0.00 C ATOM 1424 O ASN A 92 -15.334 6.593 -6.714 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.234 3.892 -6.397 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.236 2.501 -7.000 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.374 1.678 -6.694 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.209 2.230 -7.863 1.00 0.00 N ATOM 0 H ASN A 92 -12.954 4.785 -4.818 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.555 4.375 -7.660 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.388 3.819 -5.320 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.071 4.462 -6.801 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.261 1.310 -8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.904 2.942 -8.088 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.115 6.934 -6.598 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.233 8.389 -6.591 1.00 0.00 C ATOM 1437 C ASN A 93 -11.858 9.048 -6.597 1.00 0.00 C ATOM 1438 O ASN A 93 -10.857 8.423 -6.245 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.038 8.853 -5.373 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.270 9.646 -5.763 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.841 9.442 -6.835 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.686 10.559 -4.893 1.00 0.00 N ATOM 0 H ASN A 93 -12.157 6.587 -6.552 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.759 8.690 -7.497 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.339 7.984 -4.787 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.403 9.465 -4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.509 11.124 -5.101 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.183 10.695 -4.016 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.815 10.314 -7.002 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.561 11.059 -7.057 1.00 0.00 C ATOM 1451 C ARG A 94 -10.141 11.520 -5.666 1.00 0.00 C ATOM 1452 O ARG A 94 -8.973 11.417 -5.292 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.693 12.271 -7.985 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.683 12.075 -9.122 1.00 0.00 C ATOM 1455 CD ARG A 94 -11.526 13.146 -10.190 1.00 0.00 C ATOM 1456 NE ARG A 94 -11.914 12.661 -11.512 1.00 0.00 N ATOM 1457 CZ ARG A 94 -11.258 11.713 -12.176 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -10.182 11.144 -11.646 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -11.679 11.330 -13.374 1.00 0.00 N ATOM 0 H ARG A 94 -12.634 10.846 -7.297 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.795 10.392 -7.451 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.999 13.135 -7.396 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -9.714 12.502 -8.405 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -11.536 11.091 -9.568 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.699 12.098 -8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.135 14.011 -9.928 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.489 13.482 -10.217 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.737 13.074 -11.952 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.854 11.433 -10.725 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.684 10.418 -12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.506 11.762 -13.786 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.176 10.603 -13.883 1.00 0.00 H new ATOM 1473 N THR A 95 -11.099 12.037 -4.907 1.00 0.00 N ATOM 1474 CA THR A 95 -10.846 12.520 -3.573 1.00 0.00 C ATOM 1475 C THR A 95 -10.573 11.372 -2.607 1.00 0.00 C ATOM 1476 O THR A 95 -9.662 11.445 -1.782 1.00 0.00 O ATOM 1477 CB THR A 95 -12.049 13.323 -3.113 1.00 0.00 C ATOM 1478 OG1 THR A 95 -12.871 13.674 -4.213 1.00 0.00 O ATOM 1479 CG2 THR A 95 -11.677 14.594 -2.400 1.00 0.00 C ATOM 0 H THR A 95 -12.070 12.129 -5.207 1.00 0.00 H new ATOM 0 HA THR A 95 -9.957 13.150 -3.585 1.00 0.00 H new ATOM 0 HB THR A 95 -12.579 12.674 -2.416 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.569 12.996 -4.329 1.00 0.00 H new ATOM 0 HG21 THR A 95 -12.583 15.120 -2.098 1.00 0.00 H new ATOM 0 HG22 THR A 95 -11.084 14.356 -1.517 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.094 15.229 -3.068 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.369 10.311 -2.711 1.00 0.00 N ATOM 1488 CA VAL A 96 -11.210 9.152 -1.841 1.00 0.00 C ATOM 1489 C VAL A 96 -9.818 8.546 -1.982 1.00 0.00 C ATOM 1490 O VAL A 96 -9.150 8.265 -0.987 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.272 8.074 -2.136 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.092 7.504 -3.534 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -12.217 6.970 -1.090 1.00 0.00 C ATOM 0 H VAL A 96 -12.128 10.231 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.344 9.503 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.255 8.542 -2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.853 6.746 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.191 8.303 -4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.103 7.054 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.974 6.218 -1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.230 6.507 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.408 7.393 -0.104 1.00 0.00 H new ATOM 1503 N MET A 97 -9.380 8.356 -3.223 1.00 0.00 N ATOM 1504 CA MET A 97 -8.062 7.793 -3.484 1.00 0.00 C ATOM 1505 C MET A 97 -6.979 8.772 -3.061 1.00 0.00 C ATOM 1506 O MET A 97 -5.911 8.378 -2.590 1.00 0.00 O ATOM 1507 CB MET A 97 -7.905 7.448 -4.964 1.00 0.00 C ATOM 1508 CG MET A 97 -8.150 8.621 -5.898 1.00 0.00 C ATOM 1509 SD MET A 97 -6.672 9.618 -6.164 1.00 0.00 S ATOM 1510 CE MET A 97 -6.276 9.192 -7.858 1.00 0.00 C ATOM 0 H MET A 97 -9.917 8.583 -4.060 1.00 0.00 H new ATOM 0 HA MET A 97 -7.960 6.877 -2.902 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.898 7.065 -5.133 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.598 6.645 -5.215 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.509 8.248 -6.857 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.939 9.250 -5.485 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.381 9.731 -8.169 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.097 8.119 -7.931 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.109 9.466 -8.506 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.271 10.050 -3.232 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.339 11.108 -2.870 1.00 0.00 C ATOM 1522 C ASP A 98 -6.221 11.231 -1.354 1.00 0.00 C ATOM 1523 O ASP A 98 -5.175 11.616 -0.834 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.790 12.441 -3.468 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.711 13.504 -3.395 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.777 13.346 -2.580 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.798 14.493 -4.153 1.00 0.00 O ATOM 0 H ASP A 98 -8.153 10.383 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.360 10.850 -3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.077 12.290 -4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.677 12.791 -2.940 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.301 10.899 -0.650 1.00 0.00 N ATOM 1533 CA ASN A 99 -7.312 10.974 0.807 1.00 0.00 C ATOM 1534 C ASN A 99 -6.331 9.973 1.410 1.00 0.00 C ATOM 1535 O ASN A 99 -5.445 10.344 2.179 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.721 10.709 1.341 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.545 11.977 1.452 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -9.094 12.977 2.011 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.761 11.940 0.920 1.00 0.00 N ATOM 0 H ASN A 99 -8.176 10.577 -1.064 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.004 11.978 1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.230 10.005 0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.652 10.237 2.321 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.363 12.762 0.965 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.093 11.089 0.466 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.496 8.704 1.055 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.626 7.648 1.558 1.00 0.00 C ATOM 1548 C ILE A 100 -4.206 7.802 1.022 1.00 0.00 C ATOM 1549 O ILE A 100 -3.233 7.685 1.766 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.162 6.254 1.170 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.594 6.075 1.676 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.258 5.159 1.720 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.700 6.008 3.181 1.00 0.00 C ATOM 0 H ILE A 100 -7.226 8.381 0.420 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.611 7.737 2.644 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.167 6.177 0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.204 6.902 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.009 5.162 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.653 4.184 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.254 5.277 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.219 5.231 2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.744 5.881 3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.117 5.164 3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.315 6.931 3.614 1.00 0.00 H new ATOM 1565 N LYS A 101 -4.098 8.058 -0.277 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.802 8.221 -0.926 1.00 0.00 C ATOM 1567 C LYS A 101 -1.940 9.260 -0.213 1.00 0.00 C ATOM 1568 O LYS A 101 -0.747 9.046 0.000 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.995 8.623 -2.390 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.691 8.802 -3.150 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.110 10.191 -2.941 1.00 0.00 C ATOM 1572 CE LYS A 101 -0.520 10.749 -4.226 1.00 0.00 C ATOM 1573 NZ LYS A 101 0.548 9.867 -4.776 1.00 0.00 N ATOM 0 H LYS A 101 -4.896 8.158 -0.904 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.284 7.263 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.596 7.863 -2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.560 9.554 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.971 8.052 -2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.863 8.635 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.889 10.861 -2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.338 10.151 -2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.311 10.867 -4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.110 11.741 -4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.039 10.358 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.229 9.637 -4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.122 8.990 -5.138 1.00 0.00 H new ATOM 1587 N MET A 102 -2.545 10.389 0.144 1.00 0.00 N ATOM 1588 CA MET A 102 -1.817 11.458 0.820 1.00 0.00 C ATOM 1589 C MET A 102 -1.725 11.218 2.321 1.00 0.00 C ATOM 1590 O MET A 102 -0.686 11.454 2.936 1.00 0.00 O ATOM 1591 CB MET A 102 -2.477 12.812 0.544 1.00 0.00 C ATOM 1592 CG MET A 102 -3.857 12.961 1.166 1.00 0.00 C ATOM 1593 SD MET A 102 -3.794 13.616 2.845 1.00 0.00 S ATOM 1594 CE MET A 102 -4.471 15.255 2.594 1.00 0.00 C ATOM 0 H MET A 102 -3.532 10.587 -0.022 1.00 0.00 H new ATOM 0 HA MET A 102 -0.803 11.465 0.421 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.831 13.604 0.922 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.557 12.953 -0.534 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.462 13.621 0.545 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.353 11.991 1.177 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.497 15.787 3.545 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.846 15.803 1.889 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.482 15.174 2.196 1.00 0.00 H new ATOM 1604 N THR A 103 -2.816 10.752 2.903 1.00 0.00 N ATOM 1605 CA THR A 103 -2.861 10.487 4.338 1.00 0.00 C ATOM 1606 C THR A 103 -1.831 9.440 4.734 1.00 0.00 C ATOM 1607 O THR A 103 -1.031 9.660 5.642 1.00 0.00 O ATOM 1608 CB THR A 103 -4.263 10.039 4.759 1.00 0.00 C ATOM 1609 OG1 THR A 103 -5.208 11.067 4.525 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.358 9.652 6.220 1.00 0.00 C ATOM 0 H THR A 103 -3.684 10.548 2.408 1.00 0.00 H new ATOM 0 HA THR A 103 -2.620 11.415 4.857 1.00 0.00 H new ATOM 0 HB THR A 103 -4.477 9.158 4.154 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.727 10.858 3.720 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.378 9.345 6.449 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.676 8.826 6.423 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.088 10.506 6.841 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.843 8.301 4.054 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.892 7.242 4.354 1.00 0.00 C ATOM 1620 C LEU A 104 0.532 7.780 4.274 1.00 0.00 C ATOM 1621 O LEU A 104 1.339 7.566 5.176 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.075 6.067 3.392 1.00 0.00 C ATOM 1623 CG LEU A 104 -1.992 4.955 3.905 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.356 5.517 4.273 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -2.131 3.853 2.865 1.00 0.00 C ATOM 0 H LEU A 104 -2.494 8.089 3.298 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.076 6.885 5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.476 6.445 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.097 5.640 3.172 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.543 4.526 4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.995 4.712 4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.241 6.269 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.811 5.973 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.787 3.071 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.556 4.267 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.150 3.430 2.650 1.00 0.00 H new ATOM 1637 N GLN A 105 0.822 8.500 3.191 1.00 0.00 N ATOM 1638 CA GLN A 105 2.139 9.091 2.986 1.00 0.00 C ATOM 1639 C GLN A 105 2.580 9.881 4.211 1.00 0.00 C ATOM 1640 O GLN A 105 3.748 9.840 4.599 1.00 0.00 O ATOM 1641 CB GLN A 105 2.122 9.995 1.752 1.00 0.00 C ATOM 1642 CG GLN A 105 3.145 9.601 0.701 1.00 0.00 C ATOM 1643 CD GLN A 105 2.945 10.335 -0.611 1.00 0.00 C ATOM 1644 OE1 GLN A 105 3.797 11.116 -1.034 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.814 10.088 -1.261 1.00 0.00 N ATOM 0 H GLN A 105 0.157 8.687 2.440 1.00 0.00 H new ATOM 0 HA GLN A 105 2.855 8.284 2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.127 9.971 1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.308 11.023 2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.146 9.806 1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.085 8.527 0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.135 9.433 -0.873 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.624 10.554 -2.148 1.00 0.00 H new ATOM 1654 N GLN A 106 1.641 10.591 4.823 1.00 0.00 N ATOM 1655 CA GLN A 106 1.944 11.378 6.013 1.00 0.00 C ATOM 1656 C GLN A 106 2.532 10.484 7.097 1.00 0.00 C ATOM 1657 O GLN A 106 3.378 10.911 7.884 1.00 0.00 O ATOM 1658 CB GLN A 106 0.688 12.088 6.527 1.00 0.00 C ATOM 1659 CG GLN A 106 0.480 13.484 5.950 1.00 0.00 C ATOM 1660 CD GLN A 106 1.102 13.675 4.576 1.00 0.00 C ATOM 1661 OE1 GLN A 106 0.435 13.522 3.553 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.386 14.018 4.547 1.00 0.00 N ATOM 0 H GLN A 106 0.669 10.639 4.518 1.00 0.00 H new ATOM 0 HA GLN A 106 2.679 12.138 5.748 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.183 11.476 6.293 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.744 12.160 7.613 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.589 13.686 5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 106 0.903 14.218 6.636 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.903 14.135 5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.855 14.165 3.653 1.00 0.00 H new ATOM 1671 N ILE A 107 2.099 9.232 7.102 1.00 0.00 N ATOM 1672 CA ILE A 107 2.596 8.251 8.056 1.00 0.00 C ATOM 1673 C ILE A 107 3.915 7.671 7.549 1.00 0.00 C ATOM 1674 O ILE A 107 4.805 7.330 8.327 1.00 0.00 O ATOM 1675 CB ILE A 107 1.575 7.112 8.272 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.339 7.637 9.009 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.208 5.962 9.039 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.928 7.570 8.185 1.00 0.00 C ATOM 0 H ILE A 107 1.401 8.870 6.453 1.00 0.00 H new ATOM 0 HA ILE A 107 2.753 8.751 9.012 1.00 0.00 H new ATOM 0 HB ILE A 107 1.263 6.739 7.297 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.199 7.061 9.924 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.515 8.671 9.307 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.472 5.170 9.181 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.056 5.573 8.476 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.550 6.317 10.011 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.763 7.958 8.769 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.807 8.169 7.283 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.128 6.535 7.909 1.00 0.00 H new ATOM 1690 N ILE A 108 4.023 7.581 6.229 1.00 0.00 N ATOM 1691 CA ILE A 108 5.221 7.067 5.578 1.00 0.00 C ATOM 1692 C ILE A 108 6.433 7.906 5.956 1.00 0.00 C ATOM 1693 O ILE A 108 7.377 7.421 6.580 1.00 0.00 O ATOM 1694 CB ILE A 108 5.063 7.100 4.045 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.790 6.378 3.623 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.267 6.492 3.354 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.798 4.899 3.927 1.00 0.00 C ATOM 0 H ILE A 108 3.286 7.861 5.582 1.00 0.00 H new ATOM 0 HA ILE A 108 5.363 6.039 5.911 1.00 0.00 H new ATOM 0 HB ILE A 108 4.992 8.144 3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.939 6.838 4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.642 6.518 2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.125 6.530 2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.162 7.053 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.381 5.455 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.859 4.455 3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.627 4.424 3.403 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.914 4.749 5.000 1.00 0.00 H new ATOM 1709 N SER A 109 6.389 9.174 5.569 1.00 0.00 N ATOM 1710 CA SER A 109 7.475 10.107 5.855 1.00 0.00 C ATOM 1711 C SER A 109 7.732 10.211 7.355 1.00 0.00 C ATOM 1712 O SER A 109 8.822 10.593 7.782 1.00 0.00 O ATOM 1713 CB SER A 109 7.152 11.488 5.284 1.00 0.00 C ATOM 1714 OG SER A 109 8.005 12.479 5.831 1.00 0.00 O ATOM 0 H SER A 109 5.610 9.583 5.054 1.00 0.00 H new ATOM 0 HA SER A 109 8.378 9.725 5.380 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.259 11.470 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.113 11.740 5.498 1.00 0.00 H new ATOM 0 HG SER A 109 7.779 13.353 5.449 1.00 0.00 H new ATOM 1720 N ARG A 110 6.724 9.871 8.150 1.00 0.00 N ATOM 1721 CA ARG A 110 6.842 9.925 9.603 1.00 0.00 C ATOM 1722 C ARG A 110 7.974 9.020 10.084 1.00 0.00 C ATOM 1723 O ARG A 110 8.713 9.368 11.005 1.00 0.00 O ATOM 1724 CB ARG A 110 5.506 9.532 10.253 1.00 0.00 C ATOM 1725 CG ARG A 110 5.613 8.471 11.340 1.00 0.00 C ATOM 1726 CD ARG A 110 4.243 8.066 11.863 1.00 0.00 C ATOM 1727 NE ARG A 110 3.966 8.643 13.178 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.754 8.694 13.724 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.705 8.205 13.075 1.00 0.00 N ATOM 1730 NH2 ARG A 110 2.590 9.235 14.923 1.00 0.00 N ATOM 0 H ARG A 110 5.815 9.555 7.813 1.00 0.00 H new ATOM 0 HA ARG A 110 7.083 10.946 9.901 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.049 10.425 10.680 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.833 9.170 9.476 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.126 7.594 10.944 1.00 0.00 H new ATOM 0 HG3 ARG A 110 6.219 8.851 12.162 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.476 8.387 11.158 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.185 6.979 11.924 1.00 0.00 H new ATOM 0 HE ARG A 110 4.748 9.029 13.707 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.826 7.787 12.152 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.778 8.247 13.499 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.393 9.612 15.427 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.661 9.274 15.342 1.00 0.00 H new ATOM 1744 N TYR A 111 8.105 7.860 9.450 1.00 0.00 N ATOM 1745 CA TYR A 111 9.149 6.908 9.808 1.00 0.00 C ATOM 1746 C TYR A 111 10.485 7.328 9.207 1.00 0.00 C ATOM 1747 O TYR A 111 11.544 7.067 9.776 1.00 0.00 O ATOM 1748 CB TYR A 111 8.783 5.504 9.323 1.00 0.00 C ATOM 1749 CG TYR A 111 7.359 5.104 9.632 1.00 0.00 C ATOM 1750 CD1 TYR A 111 6.890 5.081 10.940 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.483 4.745 8.614 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.589 4.710 11.225 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.181 4.376 8.891 1.00 0.00 C ATOM 1754 CZ TYR A 111 4.739 4.359 10.198 1.00 0.00 C ATOM 1755 OH TYR A 111 3.443 3.990 10.478 1.00 0.00 O ATOM 0 H TYR A 111 7.501 7.557 8.686 1.00 0.00 H new ATOM 0 HA TYR A 111 9.239 6.896 10.894 1.00 0.00 H new ATOM 0 HB2 TYR A 111 8.940 5.449 8.246 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.461 4.783 9.781 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.553 5.357 11.747 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.826 4.755 7.590 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.240 4.695 12.247 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.512 4.102 8.088 1.00 0.00 H new ATOM 0 HH TYR A 111 3.293 4.031 11.446 1.00 0.00 H new ATOM 1765 N LYS A 112 10.425 7.980 8.050 1.00 0.00 N ATOM 1766 CA LYS A 112 11.628 8.436 7.368 1.00 0.00 C ATOM 1767 C LYS A 112 12.269 9.598 8.117 1.00 0.00 C ATOM 1768 O LYS A 112 13.449 9.551 8.464 1.00 0.00 O ATOM 1769 CB LYS A 112 11.300 8.857 5.933 1.00 0.00 C ATOM 1770 CG LYS A 112 10.332 7.921 5.228 1.00 0.00 C ATOM 1771 CD LYS A 112 10.238 8.232 3.743 1.00 0.00 C ATOM 1772 CE LYS A 112 11.066 7.261 2.917 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.600 5.856 3.078 1.00 0.00 N ATOM 0 H LYS A 112 9.555 8.204 7.566 1.00 0.00 H new ATOM 0 HA LYS A 112 12.336 7.608 7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.876 9.861 5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.225 8.909 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.657 6.890 5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.345 8.007 5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.196 8.185 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.581 9.251 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.013 7.543 1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.112 7.333 3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.758 5.334 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.130 5.400 3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.585 5.851 3.306 1.00 0.00 H new