USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 663 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 87 HIS : no HE2:sc= 0.203 K(o=0.15,f=-4.2!) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.0528 X(o=0.15,f=0.26) USER MOD Set 2.1: A 50 ASN : amide:sc= 0.45 K(o=1.4,f=0.43) USER MOD Set 2.2: A 58 THR OG1 : rot 110:sc= 0.965 USER MOD Set 2.3: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 25 THR OG1 : rot 89:sc= 2.25 USER MOD Set 3.2: A 31 TYR OH : rot -169:sc= 1.18 USER MOD Single : A 1 MET CE :methyl 138:sc= -0.0619 (180deg=-0.445) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.0346 (180deg=-0.1) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 87:sc= 0.435 USER MOD Single : A 10 THR OG1 : rot 174:sc= -0.0626 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 12 SER OG : rot -79:sc= 0.272 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= 0.961 (180deg=0.757) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 1.17 K(o=1.2,f=-0.055) USER MOD Single : A 38 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 39 ASN : amide:sc= 0.439! C(o=0.44!,f=-4.8!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.123) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.312 K(o=-0.31,f=-5.2!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 140:sc= 1.29 (180deg=0.846) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0207) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.873 5.398 14.629 1.00 0.00 N ATOM 2 CA MET A 1 10.290 4.540 13.525 1.00 0.00 C ATOM 3 C MET A 1 9.347 4.795 12.390 1.00 0.00 C ATOM 4 O MET A 1 8.196 5.143 12.630 1.00 0.00 O ATOM 5 CB MET A 1 10.214 3.053 13.916 1.00 0.00 C ATOM 6 CG MET A 1 11.053 2.667 15.120 1.00 0.00 C ATOM 7 SD MET A 1 10.882 0.919 15.568 1.00 0.00 S ATOM 8 CE MET A 1 11.532 0.108 14.104 1.00 0.00 C ATOM 0 H1 MET A 1 10.709 5.843 15.058 1.00 0.00 H new ATOM 0 H2 MET A 1 9.233 6.136 14.272 1.00 0.00 H new ATOM 0 H3 MET A 1 9.379 4.827 15.345 1.00 0.00 H new ATOM 0 HA MET A 1 11.322 4.762 13.255 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.174 2.798 14.119 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.529 2.451 13.063 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.101 2.882 14.910 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.765 3.285 15.971 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.164 -0.729 14.402 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.706 -0.260 13.495 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.121 0.819 13.525 1.00 0.00 H new ATOM 20 N VAL A 2 9.806 4.649 11.172 1.00 0.00 N ATOM 21 CA VAL A 2 8.955 4.886 10.028 1.00 0.00 C ATOM 22 C VAL A 2 8.020 3.697 9.850 1.00 0.00 C ATOM 23 O VAL A 2 8.417 2.645 9.325 1.00 0.00 O ATOM 24 CB VAL A 2 9.770 5.126 8.724 1.00 0.00 C ATOM 25 CG1 VAL A 2 8.849 5.462 7.556 1.00 0.00 C ATOM 26 CG2 VAL A 2 10.803 6.227 8.923 1.00 0.00 C ATOM 0 H VAL A 2 10.760 4.368 10.945 1.00 0.00 H new ATOM 0 HA VAL A 2 8.382 5.794 10.216 1.00 0.00 H new ATOM 0 HB VAL A 2 10.296 4.201 8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.445 5.625 6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.158 4.636 7.388 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.285 6.366 7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.359 6.376 7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.299 7.154 9.196 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.491 5.941 9.718 1.00 0.00 H new ATOM 36 N THR A 3 6.826 3.830 10.367 1.00 0.00 N ATOM 37 CA THR A 3 5.831 2.799 10.273 1.00 0.00 C ATOM 38 C THR A 3 5.124 2.902 8.923 1.00 0.00 C ATOM 39 O THR A 3 4.994 1.921 8.190 1.00 0.00 O ATOM 40 CB THR A 3 4.795 2.938 11.420 1.00 0.00 C ATOM 41 OG1 THR A 3 5.476 3.004 12.700 1.00 0.00 O ATOM 42 CG2 THR A 3 3.826 1.755 11.431 1.00 0.00 C ATOM 0 H THR A 3 6.517 4.663 10.868 1.00 0.00 H new ATOM 0 HA THR A 3 6.317 1.827 10.361 1.00 0.00 H new ATOM 0 HB THR A 3 4.231 3.855 11.252 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.815 3.093 13.418 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.111 1.878 12.244 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.292 1.713 10.482 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.383 0.829 11.575 1.00 0.00 H new ATOM 50 N ALA A 4 4.723 4.102 8.573 1.00 0.00 N ATOM 51 CA ALA A 4 4.011 4.301 7.349 1.00 0.00 C ATOM 52 C ALA A 4 4.923 4.772 6.251 1.00 0.00 C ATOM 53 O ALA A 4 5.003 5.963 5.951 1.00 0.00 O ATOM 54 CB ALA A 4 2.819 5.230 7.523 1.00 0.00 C ATOM 0 H ALA A 4 4.881 4.947 9.122 1.00 0.00 H new ATOM 0 HA ALA A 4 3.614 3.330 7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.309 5.351 6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.129 4.804 8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.164 6.202 7.876 1.00 0.00 H new ATOM 60 N ALA A 5 5.680 3.844 5.721 1.00 0.00 N ATOM 61 CA ALA A 5 6.503 4.108 4.558 1.00 0.00 C ATOM 62 C ALA A 5 5.608 3.970 3.336 1.00 0.00 C ATOM 63 O ALA A 5 5.851 4.541 2.268 1.00 0.00 O ATOM 64 CB ALA A 5 7.660 3.128 4.507 1.00 0.00 C ATOM 0 H ALA A 5 5.746 2.890 6.077 1.00 0.00 H new ATOM 0 HA ALA A 5 6.932 5.109 4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.273 3.334 3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.267 3.234 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.273 2.111 4.448 1.00 0.00 H new ATOM 70 N LEU A 6 4.565 3.198 3.534 1.00 0.00 N ATOM 71 CA LEU A 6 3.518 3.002 2.591 1.00 0.00 C ATOM 72 C LEU A 6 2.205 2.900 3.331 1.00 0.00 C ATOM 73 O LEU A 6 2.086 2.185 4.338 1.00 0.00 O ATOM 74 CB LEU A 6 3.725 1.775 1.674 1.00 0.00 C ATOM 75 CG LEU A 6 4.141 0.452 2.322 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.752 -0.708 1.436 1.00 0.00 C ATOM 77 CD2 LEU A 6 5.641 0.414 2.525 1.00 0.00 C ATOM 0 H LEU A 6 4.429 2.672 4.397 1.00 0.00 H new ATOM 0 HA LEU A 6 3.517 3.864 1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.795 1.603 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.481 2.036 0.934 1.00 0.00 H new ATOM 0 HG LEU A 6 3.634 0.374 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.053 -1.643 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.672 -0.707 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.250 -0.612 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.922 -0.533 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.141 0.510 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.941 1.237 3.173 1.00 0.00 H new ATOM 89 N THR A 7 1.271 3.638 2.876 1.00 0.00 N ATOM 90 CA THR A 7 -0.034 3.673 3.422 1.00 0.00 C ATOM 91 C THR A 7 -0.939 2.859 2.490 1.00 0.00 C ATOM 92 O THR A 7 -1.072 3.176 1.310 1.00 0.00 O ATOM 93 CB THR A 7 -0.491 5.145 3.494 1.00 0.00 C ATOM 94 OG1 THR A 7 0.521 5.916 4.187 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.796 5.272 4.243 1.00 0.00 C ATOM 0 H THR A 7 1.395 4.262 2.079 1.00 0.00 H new ATOM 0 HA THR A 7 -0.072 3.251 4.426 1.00 0.00 H new ATOM 0 HB THR A 7 -0.634 5.515 2.479 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.241 6.854 4.237 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.095 6.320 4.279 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.566 4.692 3.734 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.671 4.896 5.258 1.00 0.00 H new ATOM 103 N ILE A 8 -1.495 1.797 3.001 1.00 0.00 N ATOM 104 CA ILE A 8 -2.285 0.886 2.213 1.00 0.00 C ATOM 105 C ILE A 8 -3.748 0.996 2.567 1.00 0.00 C ATOM 106 O ILE A 8 -4.124 1.039 3.739 1.00 0.00 O ATOM 107 CB ILE A 8 -1.810 -0.580 2.404 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.378 -0.735 1.897 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.747 -1.578 1.705 1.00 0.00 C ATOM 110 CD1 ILE A 8 0.168 -2.125 2.063 1.00 0.00 C ATOM 0 H ILE A 8 -1.414 1.535 3.983 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.152 1.162 1.167 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.836 -0.806 3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.343 -0.463 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.265 -0.034 2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.380 -2.592 1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.751 -1.487 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.775 -1.364 0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.189 -2.163 1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.165 -2.393 3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.453 -2.828 1.508 1.00 0.00 H new ATOM 122 N TYR A 9 -4.557 1.065 1.568 1.00 0.00 N ATOM 123 CA TYR A 9 -5.967 1.114 1.753 1.00 0.00 C ATOM 124 C TYR A 9 -6.516 -0.306 1.888 1.00 0.00 C ATOM 125 O TYR A 9 -6.197 -1.176 1.074 1.00 0.00 O ATOM 126 CB TYR A 9 -6.618 1.907 0.614 1.00 0.00 C ATOM 127 CG TYR A 9 -6.166 3.363 0.570 1.00 0.00 C ATOM 128 CD1 TYR A 9 -5.012 3.738 -0.105 1.00 0.00 C ATOM 129 CD2 TYR A 9 -6.882 4.354 1.226 1.00 0.00 C ATOM 130 CE1 TYR A 9 -4.584 5.047 -0.125 1.00 0.00 C ATOM 131 CE2 TYR A 9 -6.463 5.671 1.207 1.00 0.00 C ATOM 132 CZ TYR A 9 -5.310 6.009 0.533 1.00 0.00 C ATOM 133 OH TYR A 9 -4.878 7.308 0.524 1.00 0.00 O ATOM 0 H TYR A 9 -4.258 1.089 0.593 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.211 1.639 2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.380 1.429 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.702 1.872 0.727 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.437 2.987 -0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.783 4.092 1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.682 5.315 -0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.036 6.431 1.718 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.223 7.762 -0.273 1.00 0.00 H new ATOM 143 N THR A 10 -7.275 -0.554 2.955 1.00 0.00 N ATOM 144 CA THR A 10 -7.829 -1.868 3.226 1.00 0.00 C ATOM 145 C THR A 10 -9.307 -1.778 3.602 1.00 0.00 C ATOM 146 O THR A 10 -9.822 -0.694 3.912 1.00 0.00 O ATOM 147 CB THR A 10 -7.078 -2.572 4.380 1.00 0.00 C ATOM 148 OG1 THR A 10 -7.045 -1.712 5.533 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.660 -2.957 3.974 1.00 0.00 C ATOM 0 H THR A 10 -7.519 0.152 3.650 1.00 0.00 H new ATOM 0 HA THR A 10 -7.715 -2.447 2.309 1.00 0.00 H new ATOM 0 HB THR A 10 -7.614 -3.490 4.622 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.650 -2.194 6.289 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.163 -3.449 4.810 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.697 -3.637 3.123 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.104 -2.061 3.699 1.00 0.00 H new ATOM 157 N THR A 11 -9.982 -2.895 3.532 1.00 0.00 N ATOM 158 CA THR A 11 -11.355 -3.033 3.930 1.00 0.00 C ATOM 159 C THR A 11 -11.506 -4.470 4.462 1.00 0.00 C ATOM 160 O THR A 11 -10.681 -5.324 4.117 1.00 0.00 O ATOM 161 CB THR A 11 -12.303 -2.780 2.701 1.00 0.00 C ATOM 162 OG1 THR A 11 -11.960 -1.521 2.110 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.746 -2.691 3.154 1.00 0.00 C ATOM 0 H THR A 11 -9.575 -3.763 3.184 1.00 0.00 H new ATOM 0 HA THR A 11 -11.629 -2.307 4.696 1.00 0.00 H new ATOM 0 HB THR A 11 -12.186 -3.602 1.994 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.543 -1.351 1.341 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.388 -2.516 2.291 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.034 -3.625 3.637 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.855 -1.868 3.861 1.00 0.00 H new ATOM 171 N SER A 12 -12.434 -4.712 5.388 1.00 0.00 N ATOM 172 CA SER A 12 -12.715 -6.070 5.867 1.00 0.00 C ATOM 173 C SER A 12 -13.128 -6.956 4.693 1.00 0.00 C ATOM 174 O SER A 12 -12.677 -8.104 4.563 1.00 0.00 O ATOM 175 CB SER A 12 -13.761 -6.033 6.991 1.00 0.00 C ATOM 176 OG SER A 12 -14.743 -5.027 6.732 1.00 0.00 O ATOM 0 H SER A 12 -13.005 -3.987 5.823 1.00 0.00 H new ATOM 0 HA SER A 12 -11.814 -6.508 6.297 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.244 -7.006 7.078 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.271 -5.834 7.944 1.00 0.00 H new ATOM 0 HG SER A 12 -14.383 -4.148 6.975 1.00 0.00 H new ATOM 182 N TRP A 13 -13.965 -6.403 3.835 1.00 0.00 N ATOM 183 CA TRP A 13 -14.244 -6.980 2.569 1.00 0.00 C ATOM 184 C TRP A 13 -12.981 -6.774 1.694 1.00 0.00 C ATOM 185 O TRP A 13 -12.705 -5.688 1.176 1.00 0.00 O ATOM 186 CB TRP A 13 -15.614 -6.419 1.994 1.00 0.00 C ATOM 187 CG TRP A 13 -15.528 -5.840 0.651 1.00 0.00 C ATOM 188 CD1 TRP A 13 -15.088 -6.467 -0.446 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.907 -4.527 0.246 1.00 0.00 C ATOM 190 NE1 TRP A 13 -15.010 -5.624 -1.453 1.00 0.00 N ATOM 191 CE2 TRP A 13 -15.556 -4.422 -1.096 1.00 0.00 C ATOM 192 CE3 TRP A 13 -16.476 -3.425 0.889 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -15.745 -3.254 -1.828 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -16.680 -2.269 0.164 1.00 0.00 C ATOM 195 CH2 TRP A 13 -16.312 -2.189 -1.184 1.00 0.00 C ATOM 0 H TRP A 13 -14.466 -5.533 4.016 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.423 -8.054 2.610 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.344 -7.229 1.979 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -15.994 -5.660 2.677 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -14.833 -7.515 -0.497 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -14.603 -5.835 -2.364 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -16.751 -3.477 1.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -15.455 -3.191 -2.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -17.131 -1.413 0.644 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -16.479 -1.270 -1.725 1.00 0.00 H new ATOM 206 N CYS A 14 -12.151 -7.791 1.703 1.00 0.00 N ATOM 207 CA CYS A 14 -10.924 -7.839 0.948 1.00 0.00 C ATOM 208 C CYS A 14 -10.392 -9.244 0.845 1.00 0.00 C ATOM 209 O CYS A 14 -10.050 -9.866 1.847 1.00 0.00 O ATOM 210 CB CYS A 14 -9.835 -6.936 1.544 1.00 0.00 C ATOM 211 SG CYS A 14 -9.720 -5.265 0.818 1.00 0.00 S ATOM 0 H CYS A 14 -12.318 -8.633 2.254 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.174 -7.471 -0.047 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.015 -6.837 2.615 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.871 -7.432 1.427 1.00 0.00 H new ATOM 216 N GLY A 15 -10.318 -9.729 -0.352 1.00 0.00 N ATOM 217 CA GLY A 15 -9.693 -10.985 -0.616 1.00 0.00 C ATOM 218 C GLY A 15 -8.374 -10.734 -1.288 1.00 0.00 C ATOM 219 O GLY A 15 -7.315 -11.076 -0.760 1.00 0.00 O ATOM 0 H GLY A 15 -10.691 -9.263 -1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.545 -11.536 0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.331 -11.598 -1.253 1.00 0.00 H new ATOM 223 N TYR A 16 -8.425 -10.031 -2.411 1.00 0.00 N ATOM 224 CA TYR A 16 -7.225 -9.724 -3.167 1.00 0.00 C ATOM 225 C TYR A 16 -6.312 -8.718 -2.464 1.00 0.00 C ATOM 226 O TYR A 16 -5.118 -8.674 -2.724 1.00 0.00 O ATOM 227 CB TYR A 16 -7.513 -9.355 -4.646 1.00 0.00 C ATOM 228 CG TYR A 16 -8.648 -8.364 -4.908 1.00 0.00 C ATOM 229 CD1 TYR A 16 -8.573 -7.034 -4.514 1.00 0.00 C ATOM 230 CD2 TYR A 16 -9.789 -8.770 -5.595 1.00 0.00 C ATOM 231 CE1 TYR A 16 -9.604 -6.145 -4.799 1.00 0.00 C ATOM 232 CE2 TYR A 16 -10.817 -7.884 -5.873 1.00 0.00 C ATOM 233 CZ TYR A 16 -10.713 -6.574 -5.472 1.00 0.00 C ATOM 234 OH TYR A 16 -11.732 -5.679 -5.747 1.00 0.00 O ATOM 0 H TYR A 16 -9.286 -9.664 -2.816 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.659 -10.655 -3.204 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.599 -8.945 -5.076 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.735 -10.275 -5.187 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.702 -6.685 -3.979 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.874 -9.797 -5.918 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.528 -5.114 -4.488 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -11.696 -8.221 -6.402 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.449 -6.139 -6.232 1.00 0.00 H new ATOM 244 N CYS A 17 -6.863 -7.945 -1.535 1.00 0.00 N ATOM 245 CA CYS A 17 -6.050 -6.999 -0.769 1.00 0.00 C ATOM 246 C CYS A 17 -5.193 -7.778 0.212 1.00 0.00 C ATOM 247 O CYS A 17 -4.038 -7.442 0.472 1.00 0.00 O ATOM 248 CB CYS A 17 -6.922 -6.065 0.060 1.00 0.00 C ATOM 249 SG CYS A 17 -8.449 -5.516 -0.750 1.00 0.00 S ATOM 0 H CYS A 17 -7.854 -7.951 -1.294 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.454 -6.421 -1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.184 -6.568 0.991 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.335 -5.186 0.327 1.00 0.00 H new ATOM 254 N LEU A 18 -5.767 -8.864 0.719 1.00 0.00 N ATOM 255 CA LEU A 18 -5.148 -9.644 1.755 1.00 0.00 C ATOM 256 C LEU A 18 -3.971 -10.420 1.191 1.00 0.00 C ATOM 257 O LEU A 18 -2.979 -10.642 1.874 1.00 0.00 O ATOM 258 CB LEU A 18 -6.176 -10.567 2.382 1.00 0.00 C ATOM 259 CG LEU A 18 -5.782 -11.187 3.715 1.00 0.00 C ATOM 260 CD1 LEU A 18 -5.478 -10.099 4.737 1.00 0.00 C ATOM 261 CD2 LEU A 18 -6.896 -12.053 4.212 1.00 0.00 C ATOM 0 H LEU A 18 -6.674 -9.218 0.415 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.766 -8.983 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.101 -10.008 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.392 -11.371 1.678 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.886 -11.792 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.198 -10.558 5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.656 -9.481 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.362 -9.479 4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.614 -12.497 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.794 -11.450 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.093 -12.844 3.488 1.00 0.00 H new ATOM 273 N ARG A 19 -4.075 -10.751 -0.093 1.00 0.00 N ATOM 274 CA ARG A 19 -3.027 -11.451 -0.839 1.00 0.00 C ATOM 275 C ARG A 19 -1.724 -10.643 -0.836 1.00 0.00 C ATOM 276 O ARG A 19 -0.622 -11.195 -0.742 1.00 0.00 O ATOM 277 CB ARG A 19 -3.495 -11.675 -2.283 1.00 0.00 C ATOM 278 CG ARG A 19 -4.732 -12.567 -2.439 1.00 0.00 C ATOM 279 CD ARG A 19 -4.427 -14.048 -2.219 1.00 0.00 C ATOM 280 NE ARG A 19 -3.927 -14.364 -0.870 1.00 0.00 N ATOM 281 CZ ARG A 19 -2.923 -15.216 -0.599 1.00 0.00 C ATOM 282 NH1 ARG A 19 -2.263 -15.804 -1.588 1.00 0.00 N ATOM 283 NH2 ARG A 19 -2.588 -15.470 0.665 1.00 0.00 N ATOM 0 H ARG A 19 -4.900 -10.539 -0.655 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.836 -12.411 -0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.707 -10.705 -2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.675 -12.117 -2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.495 -12.249 -1.729 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.149 -12.431 -3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.332 -14.626 -2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.688 -14.369 -2.953 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.377 -13.901 -0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.517 -15.610 -2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.502 -16.450 -1.380 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.093 -15.018 1.427 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.826 -16.116 0.871 1.00 0.00 H new ATOM 297 N LEU A 20 -1.860 -9.342 -0.928 1.00 0.00 N ATOM 298 CA LEU A 20 -0.717 -8.455 -0.906 1.00 0.00 C ATOM 299 C LEU A 20 -0.298 -8.198 0.537 1.00 0.00 C ATOM 300 O LEU A 20 0.888 -8.207 0.870 1.00 0.00 O ATOM 301 CB LEU A 20 -1.069 -7.126 -1.591 1.00 0.00 C ATOM 302 CG LEU A 20 -0.020 -5.993 -1.559 1.00 0.00 C ATOM 303 CD1 LEU A 20 1.134 -6.201 -2.549 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.693 -4.648 -1.761 1.00 0.00 C ATOM 0 H LEU A 20 -2.759 -8.869 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 20 0.108 -8.922 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.298 -7.339 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.984 -6.747 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 20 0.439 -6.014 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.833 -5.368 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.651 -7.131 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.738 -6.251 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.058 -3.858 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.200 -4.636 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.420 -4.482 -0.966 1.00 0.00 H new ATOM 316 N LYS A 21 -1.291 -8.011 1.384 1.00 0.00 N ATOM 317 CA LYS A 21 -1.095 -7.681 2.785 1.00 0.00 C ATOM 318 C LYS A 21 -0.263 -8.761 3.514 1.00 0.00 C ATOM 319 O LYS A 21 0.694 -8.437 4.245 1.00 0.00 O ATOM 320 CB LYS A 21 -2.460 -7.469 3.457 1.00 0.00 C ATOM 321 CG LYS A 21 -2.383 -6.898 4.852 1.00 0.00 C ATOM 322 CD LYS A 21 -3.757 -6.626 5.440 1.00 0.00 C ATOM 323 CE LYS A 21 -3.631 -5.979 6.816 1.00 0.00 C ATOM 324 NZ LYS A 21 -4.940 -5.758 7.456 1.00 0.00 N ATOM 0 H LYS A 21 -2.272 -8.085 1.116 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.524 -6.755 2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.058 -6.802 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.985 -8.423 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.845 -7.592 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.809 -5.972 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.321 -5.972 4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.316 -7.558 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.019 -6.613 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.111 -5.026 6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.819 -5.155 8.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.581 -5.291 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.345 -6.672 7.743 1.00 0.00 H new ATOM 338 N THR A 22 -0.596 -10.023 3.286 1.00 0.00 N ATOM 339 CA THR A 22 0.140 -11.126 3.887 1.00 0.00 C ATOM 340 C THR A 22 1.578 -11.174 3.323 1.00 0.00 C ATOM 341 O THR A 22 2.544 -11.392 4.067 1.00 0.00 O ATOM 342 CB THR A 22 -0.598 -12.506 3.689 1.00 0.00 C ATOM 343 OG1 THR A 22 0.113 -13.575 4.342 1.00 0.00 O ATOM 344 CG2 THR A 22 -0.767 -12.858 2.216 1.00 0.00 C ATOM 0 H THR A 22 -1.372 -10.309 2.689 1.00 0.00 H new ATOM 0 HA THR A 22 0.191 -10.950 4.961 1.00 0.00 H new ATOM 0 HB THR A 22 -1.584 -12.392 4.139 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.367 -14.419 4.205 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.280 -13.816 2.127 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.355 -12.084 1.722 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.213 -12.926 1.743 1.00 0.00 H new ATOM 352 N ALA A 23 1.712 -10.862 2.032 1.00 0.00 N ATOM 353 CA ALA A 23 2.991 -10.895 1.343 1.00 0.00 C ATOM 354 C ALA A 23 3.938 -9.866 1.913 1.00 0.00 C ATOM 355 O ALA A 23 5.092 -10.167 2.196 1.00 0.00 O ATOM 356 CB ALA A 23 2.796 -10.670 -0.150 1.00 0.00 C ATOM 0 H ALA A 23 0.931 -10.580 1.439 1.00 0.00 H new ATOM 0 HA ALA A 23 3.432 -11.881 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.763 -10.698 -0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.155 -11.453 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.330 -9.698 -0.314 1.00 0.00 H new ATOM 362 N LEU A 24 3.444 -8.670 2.121 1.00 0.00 N ATOM 363 CA LEU A 24 4.262 -7.587 2.639 1.00 0.00 C ATOM 364 C LEU A 24 4.682 -7.849 4.074 1.00 0.00 C ATOM 365 O LEU A 24 5.817 -7.573 4.453 1.00 0.00 O ATOM 366 CB LEU A 24 3.529 -6.261 2.528 1.00 0.00 C ATOM 367 CG LEU A 24 3.094 -5.853 1.123 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.419 -4.513 1.162 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.272 -5.828 0.159 1.00 0.00 C ATOM 0 H LEU A 24 2.473 -8.415 1.940 1.00 0.00 H new ATOM 0 HA LEU A 24 5.166 -7.534 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.644 -6.303 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.172 -5.478 2.930 1.00 0.00 H new ATOM 0 HG LEU A 24 2.387 -6.598 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.112 -4.231 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.542 -4.566 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.112 -3.768 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.925 -5.533 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.015 -5.112 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.720 -6.820 0.106 1.00 0.00 H new ATOM 381 N THR A 25 3.787 -8.421 4.852 1.00 0.00 N ATOM 382 CA THR A 25 4.068 -8.728 6.236 1.00 0.00 C ATOM 383 C THR A 25 5.144 -9.827 6.335 1.00 0.00 C ATOM 384 O THR A 25 6.108 -9.712 7.114 1.00 0.00 O ATOM 385 CB THR A 25 2.774 -9.134 6.962 1.00 0.00 C ATOM 386 OG1 THR A 25 1.792 -8.105 6.724 1.00 0.00 O ATOM 387 CG2 THR A 25 3.006 -9.260 8.465 1.00 0.00 C ATOM 0 H THR A 25 2.851 -8.684 4.544 1.00 0.00 H new ATOM 0 HA THR A 25 4.461 -7.838 6.727 1.00 0.00 H new ATOM 0 HB THR A 25 2.437 -10.100 6.586 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.300 -8.306 5.901 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.075 -9.548 8.954 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.765 -10.019 8.654 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.344 -8.303 8.863 1.00 0.00 H new ATOM 395 N ALA A 26 5.020 -10.845 5.489 1.00 0.00 N ATOM 396 CA ALA A 26 5.998 -11.928 5.440 1.00 0.00 C ATOM 397 C ALA A 26 7.343 -11.422 4.916 1.00 0.00 C ATOM 398 O ALA A 26 8.385 -11.983 5.205 1.00 0.00 O ATOM 399 CB ALA A 26 5.482 -13.075 4.584 1.00 0.00 C ATOM 0 H ALA A 26 4.251 -10.943 4.827 1.00 0.00 H new ATOM 0 HA ALA A 26 6.149 -12.299 6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.224 -13.873 4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.553 -13.456 5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.298 -12.719 3.570 1.00 0.00 H new ATOM 405 N ASN A 27 7.301 -10.342 4.171 1.00 0.00 N ATOM 406 CA ASN A 27 8.501 -9.731 3.605 1.00 0.00 C ATOM 407 C ASN A 27 9.059 -8.637 4.497 1.00 0.00 C ATOM 408 O ASN A 27 9.994 -7.930 4.109 1.00 0.00 O ATOM 409 CB ASN A 27 8.230 -9.195 2.200 1.00 0.00 C ATOM 410 CG ASN A 27 8.375 -10.246 1.117 1.00 0.00 C ATOM 411 OD1 ASN A 27 9.462 -10.437 0.555 1.00 0.00 O ATOM 412 ND2 ASN A 27 7.308 -10.925 0.807 1.00 0.00 N ATOM 0 H ASN A 27 6.437 -9.855 3.935 1.00 0.00 H new ATOM 0 HA ASN A 27 9.257 -10.513 3.538 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.221 -8.784 2.164 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.917 -8.374 1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.352 -11.640 0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.429 -10.742 1.290 1.00 0.00 H new ATOM 419 N ARG A 28 8.470 -8.497 5.697 1.00 0.00 N ATOM 420 CA ARG A 28 8.923 -7.535 6.723 1.00 0.00 C ATOM 421 C ARG A 28 8.772 -6.082 6.270 1.00 0.00 C ATOM 422 O ARG A 28 9.447 -5.175 6.786 1.00 0.00 O ATOM 423 CB ARG A 28 10.370 -7.824 7.145 1.00 0.00 C ATOM 424 CG ARG A 28 10.555 -9.155 7.847 1.00 0.00 C ATOM 425 CD ARG A 28 12.006 -9.400 8.166 1.00 0.00 C ATOM 426 NE ARG A 28 12.815 -9.503 6.955 1.00 0.00 N ATOM 427 CZ ARG A 28 14.107 -9.205 6.866 1.00 0.00 C ATOM 428 NH1 ARG A 28 14.760 -8.737 7.919 1.00 0.00 N ATOM 429 NH2 ARG A 28 14.748 -9.386 5.718 1.00 0.00 N ATOM 0 H ARG A 28 7.663 -9.049 5.986 1.00 0.00 H new ATOM 0 HA ARG A 28 8.273 -7.669 7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.007 -7.800 6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.711 -7.027 7.805 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.969 -9.170 8.766 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.177 -9.959 7.215 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.384 -8.589 8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.101 -10.318 8.746 1.00 0.00 H new ATOM 0 HE ARG A 28 12.351 -9.830 6.108 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.271 -8.604 8.804 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.752 -8.510 7.845 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.249 -9.753 4.908 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.740 -9.158 5.646 1.00 0.00 H new ATOM 443 N ILE A 29 7.870 -5.857 5.347 1.00 0.00 N ATOM 444 CA ILE A 29 7.618 -4.541 4.849 1.00 0.00 C ATOM 445 C ILE A 29 6.596 -3.866 5.758 1.00 0.00 C ATOM 446 O ILE A 29 5.488 -4.393 5.965 1.00 0.00 O ATOM 447 CB ILE A 29 7.127 -4.574 3.371 1.00 0.00 C ATOM 448 CG1 ILE A 29 8.222 -5.193 2.465 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.765 -3.166 2.893 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.830 -5.342 1.009 1.00 0.00 C ATOM 0 H ILE A 29 7.294 -6.585 4.924 1.00 0.00 H new ATOM 0 HA ILE A 29 8.546 -3.969 4.854 1.00 0.00 H new ATOM 0 HB ILE A 29 6.231 -5.192 3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.117 -4.573 2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.487 -6.174 2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.424 -3.209 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.970 -2.762 3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.642 -2.522 2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.657 -5.783 0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.956 -5.988 0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.595 -4.362 0.593 1.00 0.00 H new ATOM 462 N ALA A 30 6.986 -2.755 6.338 1.00 0.00 N ATOM 463 CA ALA A 30 6.141 -2.021 7.252 1.00 0.00 C ATOM 464 C ALA A 30 5.211 -1.100 6.495 1.00 0.00 C ATOM 465 O ALA A 30 5.642 -0.304 5.661 1.00 0.00 O ATOM 466 CB ALA A 30 6.980 -1.231 8.242 1.00 0.00 C ATOM 0 H ALA A 30 7.902 -2.333 6.189 1.00 0.00 H new ATOM 0 HA ALA A 30 5.538 -2.739 7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.324 -0.686 8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.607 -1.915 8.814 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.611 -0.525 7.702 1.00 0.00 H new ATOM 472 N TYR A 31 3.949 -1.215 6.783 1.00 0.00 N ATOM 473 CA TYR A 31 2.932 -0.433 6.133 1.00 0.00 C ATOM 474 C TYR A 31 1.876 -0.066 7.152 1.00 0.00 C ATOM 475 O TYR A 31 1.834 -0.650 8.250 1.00 0.00 O ATOM 476 CB TYR A 31 2.291 -1.234 4.972 1.00 0.00 C ATOM 477 CG TYR A 31 1.651 -2.545 5.402 1.00 0.00 C ATOM 478 CD1 TYR A 31 0.343 -2.587 5.875 1.00 0.00 C ATOM 479 CD2 TYR A 31 2.364 -3.731 5.353 1.00 0.00 C ATOM 480 CE1 TYR A 31 -0.221 -3.763 6.296 1.00 0.00 C ATOM 481 CE2 TYR A 31 1.798 -4.915 5.766 1.00 0.00 C ATOM 482 CZ TYR A 31 0.509 -4.923 6.241 1.00 0.00 C ATOM 483 OH TYR A 31 -0.053 -6.095 6.675 1.00 0.00 O ATOM 0 H TYR A 31 3.589 -1.862 7.485 1.00 0.00 H new ATOM 0 HA TYR A 31 3.379 0.470 5.718 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.535 -0.614 4.491 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.055 -1.443 4.224 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.238 -1.677 5.911 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.379 -3.727 4.985 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.234 -3.776 6.669 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.364 -5.833 5.717 1.00 0.00 H new ATOM 0 HH TYR A 31 0.637 -6.789 6.729 1.00 0.00 H new ATOM 493 N ASP A 32 1.026 0.844 6.801 1.00 0.00 N ATOM 494 CA ASP A 32 -0.060 1.247 7.670 1.00 0.00 C ATOM 495 C ASP A 32 -1.342 1.194 6.868 1.00 0.00 C ATOM 496 O ASP A 32 -1.349 1.620 5.710 1.00 0.00 O ATOM 497 CB ASP A 32 0.190 2.655 8.196 1.00 0.00 C ATOM 498 CG ASP A 32 -0.787 3.068 9.267 1.00 0.00 C ATOM 499 OD1 ASP A 32 -0.624 2.633 10.431 1.00 0.00 O ATOM 500 OD2 ASP A 32 -1.688 3.861 8.995 1.00 0.00 O ATOM 0 H ASP A 32 1.055 1.335 5.908 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.133 0.579 8.528 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.203 2.713 8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.132 3.361 7.368 1.00 0.00 H new ATOM 505 N GLU A 33 -2.398 0.650 7.433 1.00 0.00 N ATOM 506 CA GLU A 33 -3.642 0.510 6.696 1.00 0.00 C ATOM 507 C GLU A 33 -4.643 1.613 7.071 1.00 0.00 C ATOM 508 O GLU A 33 -4.742 2.017 8.238 1.00 0.00 O ATOM 509 CB GLU A 33 -4.229 -0.898 6.846 1.00 0.00 C ATOM 510 CG GLU A 33 -4.632 -1.304 8.245 1.00 0.00 C ATOM 511 CD GLU A 33 -5.115 -2.730 8.291 1.00 0.00 C ATOM 512 OE1 GLU A 33 -6.050 -3.090 7.548 1.00 0.00 O ATOM 513 OE2 GLU A 33 -4.552 -3.545 9.050 1.00 0.00 O ATOM 0 H GLU A 33 -2.424 0.300 8.391 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.420 0.640 5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.104 -0.976 6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.497 -1.616 6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.783 -1.185 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.419 -0.641 8.604 1.00 0.00 H new ATOM 520 N VAL A 34 -5.367 2.095 6.084 1.00 0.00 N ATOM 521 CA VAL A 34 -6.224 3.267 6.241 1.00 0.00 C ATOM 522 C VAL A 34 -7.613 2.966 6.834 1.00 0.00 C ATOM 523 O VAL A 34 -8.239 1.937 6.567 1.00 0.00 O ATOM 524 CB VAL A 34 -6.382 4.056 4.901 1.00 0.00 C ATOM 525 CG1 VAL A 34 -7.023 5.423 5.106 1.00 0.00 C ATOM 526 CG2 VAL A 34 -5.059 4.191 4.197 1.00 0.00 C ATOM 0 H VAL A 34 -5.383 1.691 5.148 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.701 3.887 6.969 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.056 3.476 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.111 5.931 4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.014 5.298 5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.403 6.018 5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.196 4.744 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.359 4.727 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.662 3.200 3.975 1.00 0.00 H new ATOM 536 N ASP A 35 -8.059 3.941 7.578 1.00 0.00 N ATOM 537 CA ASP A 35 -9.339 4.052 8.297 1.00 0.00 C ATOM 538 C ASP A 35 -10.605 4.075 7.419 1.00 0.00 C ATOM 539 O ASP A 35 -11.698 4.152 7.968 1.00 0.00 O ATOM 540 CB ASP A 35 -9.320 5.325 9.144 1.00 0.00 C ATOM 541 CG ASP A 35 -8.836 6.538 8.361 1.00 0.00 C ATOM 542 OD1 ASP A 35 -9.479 6.956 7.382 1.00 0.00 O ATOM 543 OD2 ASP A 35 -7.750 7.045 8.679 1.00 0.00 O ATOM 0 H ASP A 35 -7.489 4.774 7.723 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.410 3.141 8.892 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.322 5.519 9.525 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.674 5.173 10.009 1.00 0.00 H new ATOM 548 N ILE A 36 -10.467 4.043 6.085 1.00 0.00 N ATOM 549 CA ILE A 36 -11.611 4.211 5.118 1.00 0.00 C ATOM 550 C ILE A 36 -12.893 3.400 5.440 1.00 0.00 C ATOM 551 O ILE A 36 -13.984 3.773 5.018 1.00 0.00 O ATOM 552 CB ILE A 36 -11.228 3.909 3.651 1.00 0.00 C ATOM 553 CG1 ILE A 36 -10.827 2.449 3.463 1.00 0.00 C ATOM 554 CG2 ILE A 36 -10.106 4.818 3.206 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.819 2.013 2.010 1.00 0.00 C ATOM 0 H ILE A 36 -9.567 3.901 5.626 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.841 5.269 5.245 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.107 4.095 3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.835 2.294 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.515 1.815 4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.846 4.595 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.427 5.857 3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.235 4.659 3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.526 0.965 1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.816 2.137 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.110 2.623 1.451 1.00 0.00 H new ATOM 567 N GLU A 37 -12.757 2.313 6.170 1.00 0.00 N ATOM 568 CA GLU A 37 -13.892 1.481 6.540 1.00 0.00 C ATOM 569 C GLU A 37 -14.786 2.217 7.568 1.00 0.00 C ATOM 570 O GLU A 37 -15.987 1.940 7.704 1.00 0.00 O ATOM 571 CB GLU A 37 -13.375 0.159 7.110 1.00 0.00 C ATOM 572 CG GLU A 37 -14.448 -0.842 7.482 1.00 0.00 C ATOM 573 CD GLU A 37 -13.866 -2.138 7.939 1.00 0.00 C ATOM 574 OE1 GLU A 37 -13.303 -2.856 7.105 1.00 0.00 O ATOM 575 OE2 GLU A 37 -13.979 -2.486 9.133 1.00 0.00 O ATOM 0 H GLU A 37 -11.861 1.978 6.525 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.501 1.275 5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.710 -0.299 6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.776 0.372 7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -15.074 -0.427 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.094 -1.018 6.622 1.00 0.00 H new ATOM 582 N HIS A 38 -14.194 3.152 8.272 1.00 0.00 N ATOM 583 CA HIS A 38 -14.889 3.935 9.284 1.00 0.00 C ATOM 584 C HIS A 38 -15.023 5.376 8.822 1.00 0.00 C ATOM 585 O HIS A 38 -16.045 6.037 9.069 1.00 0.00 O ATOM 586 CB HIS A 38 -14.117 3.911 10.624 1.00 0.00 C ATOM 587 CG HIS A 38 -13.939 2.549 11.247 1.00 0.00 C ATOM 588 ND1 HIS A 38 -14.494 2.175 12.448 1.00 0.00 N ATOM 589 CD2 HIS A 38 -13.205 1.485 10.835 1.00 0.00 C ATOM 590 CE1 HIS A 38 -14.094 0.938 12.724 1.00 0.00 C ATOM 591 NE2 HIS A 38 -13.307 0.467 11.771 1.00 0.00 N ATOM 0 H HIS A 38 -13.210 3.398 8.163 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.876 3.496 9.431 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.132 4.349 10.464 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.639 4.551 11.335 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.631 1.438 9.921 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.375 0.389 13.611 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.867 -0.453 11.733 1.00 0.00 H new ATOM 599 N ASN A 39 -13.998 5.837 8.150 1.00 0.00 N ATOM 600 CA ASN A 39 -13.880 7.210 7.701 1.00 0.00 C ATOM 601 C ASN A 39 -14.224 7.361 6.236 1.00 0.00 C ATOM 602 O ASN A 39 -13.579 6.763 5.376 1.00 0.00 O ATOM 603 CB ASN A 39 -12.453 7.656 7.893 1.00 0.00 C ATOM 604 CG ASN A 39 -12.161 9.036 7.344 1.00 0.00 C ATOM 605 OD1 ASN A 39 -12.997 9.944 7.379 1.00 0.00 O ATOM 606 ND2 ASN A 39 -11.024 9.158 6.737 1.00 0.00 N ATOM 0 H ASN A 39 -13.200 5.257 7.891 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.577 7.813 8.282 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.219 7.642 8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.790 6.937 7.412 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.790 10.030 6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.362 8.382 6.733 1.00 0.00 H new ATOM 613 N ARG A 40 -15.193 8.199 5.952 1.00 0.00 N ATOM 614 CA ARG A 40 -15.585 8.476 4.585 1.00 0.00 C ATOM 615 C ARG A 40 -14.576 9.400 3.890 1.00 0.00 C ATOM 616 O ARG A 40 -14.418 9.341 2.681 1.00 0.00 O ATOM 617 CB ARG A 40 -16.988 9.118 4.514 1.00 0.00 C ATOM 618 CG ARG A 40 -17.092 10.457 5.239 1.00 0.00 C ATOM 619 CD ARG A 40 -18.416 11.161 4.992 1.00 0.00 C ATOM 620 NE ARG A 40 -19.575 10.371 5.416 1.00 0.00 N ATOM 621 CZ ARG A 40 -20.377 10.672 6.454 1.00 0.00 C ATOM 622 NH1 ARG A 40 -20.030 11.621 7.316 1.00 0.00 N ATOM 623 NH2 ARG A 40 -21.503 9.994 6.644 1.00 0.00 N ATOM 0 H ARG A 40 -15.730 8.706 6.655 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.608 7.516 4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.259 9.260 3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.715 8.427 4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.966 10.296 6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.276 11.104 4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.419 12.113 5.523 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.507 11.388 3.930 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.791 9.528 4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.152 12.126 7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.641 11.845 8.101 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.761 9.244 6.003 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.110 10.223 7.431 1.00 0.00 H new ATOM 637 N ALA A 41 -13.851 10.211 4.662 1.00 0.00 N ATOM 638 CA ALA A 41 -12.995 11.230 4.072 1.00 0.00 C ATOM 639 C ALA A 41 -11.809 10.673 3.314 1.00 0.00 C ATOM 640 O ALA A 41 -11.421 11.208 2.277 1.00 0.00 O ATOM 641 CB ALA A 41 -12.629 12.344 5.052 1.00 0.00 C ATOM 0 H ALA A 41 -13.841 10.181 5.681 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.606 11.706 3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.990 13.072 4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.537 12.836 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.098 11.919 5.904 1.00 0.00 H new ATOM 647 N ALA A 42 -11.243 9.602 3.794 1.00 0.00 N ATOM 648 CA ALA A 42 -10.164 8.970 3.068 1.00 0.00 C ATOM 649 C ALA A 42 -10.736 7.987 2.061 1.00 0.00 C ATOM 650 O ALA A 42 -10.102 7.656 1.065 1.00 0.00 O ATOM 651 CB ALA A 42 -9.200 8.285 4.012 1.00 0.00 C ATOM 0 H ALA A 42 -11.501 9.149 4.671 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.603 9.736 2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.399 7.818 3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.776 9.020 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.730 7.522 4.583 1.00 0.00 H new ATOM 657 N ALA A 43 -11.957 7.546 2.318 1.00 0.00 N ATOM 658 CA ALA A 43 -12.624 6.582 1.466 1.00 0.00 C ATOM 659 C ALA A 43 -12.956 7.192 0.125 1.00 0.00 C ATOM 660 O ALA A 43 -12.764 6.564 -0.925 1.00 0.00 O ATOM 661 CB ALA A 43 -13.872 6.051 2.142 1.00 0.00 C ATOM 0 H ALA A 43 -12.510 7.847 3.121 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.946 5.746 1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.360 5.328 1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.600 5.566 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.555 6.876 2.345 1.00 0.00 H new ATOM 667 N GLU A 44 -13.411 8.430 0.150 1.00 0.00 N ATOM 668 CA GLU A 44 -13.739 9.130 -1.076 1.00 0.00 C ATOM 669 C GLU A 44 -12.482 9.463 -1.859 1.00 0.00 C ATOM 670 O GLU A 44 -12.511 9.578 -3.080 1.00 0.00 O ATOM 671 CB GLU A 44 -14.581 10.381 -0.806 1.00 0.00 C ATOM 672 CG GLU A 44 -15.867 10.084 -0.045 1.00 0.00 C ATOM 673 CD GLU A 44 -16.610 8.909 -0.623 1.00 0.00 C ATOM 674 OE1 GLU A 44 -17.265 9.043 -1.679 1.00 0.00 O ATOM 675 OE2 GLU A 44 -16.528 7.807 -0.066 1.00 0.00 O ATOM 0 H GLU A 44 -13.561 8.970 1.002 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.348 8.463 -1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.986 11.096 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -14.829 10.856 -1.755 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.631 9.884 1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -16.510 10.964 -0.064 1.00 0.00 H new ATOM 682 N PHE A 45 -11.364 9.556 -1.152 1.00 0.00 N ATOM 683 CA PHE A 45 -10.083 9.809 -1.783 1.00 0.00 C ATOM 684 C PHE A 45 -9.680 8.600 -2.640 1.00 0.00 C ATOM 685 O PHE A 45 -9.079 8.751 -3.704 1.00 0.00 O ATOM 686 CB PHE A 45 -9.011 10.147 -0.735 1.00 0.00 C ATOM 687 CG PHE A 45 -7.655 10.443 -1.314 1.00 0.00 C ATOM 688 CD1 PHE A 45 -7.431 11.609 -2.028 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.609 9.551 -1.154 1.00 0.00 C ATOM 690 CE1 PHE A 45 -6.188 11.884 -2.565 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.363 9.818 -1.688 1.00 0.00 C ATOM 692 CZ PHE A 45 -5.152 10.986 -2.393 1.00 0.00 C ATOM 0 H PHE A 45 -11.322 9.459 -0.137 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.173 10.677 -2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -9.343 11.009 -0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.923 9.312 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.239 12.312 -2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.769 8.635 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.027 12.798 -3.117 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.555 9.114 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.178 11.198 -2.810 1.00 0.00 H new ATOM 702 N VAL A 46 -10.074 7.404 -2.199 1.00 0.00 N ATOM 703 CA VAL A 46 -9.818 6.181 -2.958 1.00 0.00 C ATOM 704 C VAL A 46 -10.610 6.244 -4.263 1.00 0.00 C ATOM 705 O VAL A 46 -10.115 5.897 -5.331 1.00 0.00 O ATOM 706 CB VAL A 46 -10.240 4.908 -2.174 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.845 3.644 -2.929 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.639 4.901 -0.786 1.00 0.00 C ATOM 0 H VAL A 46 -10.571 7.257 -1.321 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.746 6.116 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.326 4.925 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.152 2.768 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.336 3.633 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.764 3.626 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.951 3.999 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.552 4.921 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.981 5.778 -0.237 1.00 0.00 H new ATOM 718 N GLY A 47 -11.825 6.750 -4.163 1.00 0.00 N ATOM 719 CA GLY A 47 -12.685 6.910 -5.319 1.00 0.00 C ATOM 720 C GLY A 47 -12.227 8.047 -6.214 1.00 0.00 C ATOM 721 O GLY A 47 -12.646 8.156 -7.368 1.00 0.00 O ATOM 0 H GLY A 47 -12.241 7.060 -3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.701 5.982 -5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.706 7.098 -4.988 1.00 0.00 H new ATOM 725 N SER A 48 -11.410 8.913 -5.663 1.00 0.00 N ATOM 726 CA SER A 48 -10.862 10.021 -6.380 1.00 0.00 C ATOM 727 C SER A 48 -9.665 9.554 -7.227 1.00 0.00 C ATOM 728 O SER A 48 -9.541 9.937 -8.398 1.00 0.00 O ATOM 729 CB SER A 48 -10.458 11.138 -5.386 1.00 0.00 C ATOM 730 OG SER A 48 -9.988 12.309 -6.036 1.00 0.00 O ATOM 0 H SER A 48 -11.108 8.860 -4.690 1.00 0.00 H new ATOM 0 HA SER A 48 -11.611 10.430 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.316 11.393 -4.764 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.682 10.762 -4.719 1.00 0.00 H new ATOM 0 HG SER A 48 -9.748 12.982 -5.365 1.00 0.00 H new ATOM 736 N VAL A 49 -8.811 8.709 -6.654 1.00 0.00 N ATOM 737 CA VAL A 49 -7.624 8.225 -7.366 1.00 0.00 C ATOM 738 C VAL A 49 -7.925 7.020 -8.269 1.00 0.00 C ATOM 739 O VAL A 49 -7.321 6.867 -9.328 1.00 0.00 O ATOM 740 CB VAL A 49 -6.425 7.903 -6.410 1.00 0.00 C ATOM 741 CG1 VAL A 49 -5.957 9.158 -5.692 1.00 0.00 C ATOM 742 CG2 VAL A 49 -6.780 6.815 -5.397 1.00 0.00 C ATOM 0 H VAL A 49 -8.914 8.346 -5.706 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.322 9.055 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.611 7.526 -7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.124 8.911 -5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.634 9.897 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.777 9.567 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.921 6.622 -4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.622 7.145 -4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.050 5.900 -5.925 1.00 0.00 H new ATOM 752 N ASN A 50 -8.860 6.190 -7.865 1.00 0.00 N ATOM 753 CA ASN A 50 -9.207 5.000 -8.633 1.00 0.00 C ATOM 754 C ASN A 50 -10.498 5.216 -9.375 1.00 0.00 C ATOM 755 O ASN A 50 -11.282 6.101 -9.021 1.00 0.00 O ATOM 756 CB ASN A 50 -9.301 3.752 -7.732 1.00 0.00 C ATOM 757 CG ASN A 50 -7.954 3.337 -7.160 1.00 0.00 C ATOM 758 OD1 ASN A 50 -6.914 3.531 -7.791 1.00 0.00 O ATOM 759 ND2 ASN A 50 -7.955 2.782 -5.972 1.00 0.00 N ATOM 0 H ASN A 50 -9.399 6.311 -7.008 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.410 4.824 -9.356 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.993 3.951 -6.913 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.717 2.925 -8.307 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.075 2.496 -5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.835 2.636 -5.478 1.00 0.00 H new ATOM 766 N GLY A 51 -10.728 4.428 -10.395 1.00 0.00 N ATOM 767 CA GLY A 51 -11.912 4.584 -11.186 1.00 0.00 C ATOM 768 C GLY A 51 -12.654 3.293 -11.349 1.00 0.00 C ATOM 769 O GLY A 51 -12.047 2.215 -11.311 1.00 0.00 O ATOM 0 H GLY A 51 -10.109 3.674 -10.693 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.565 5.321 -10.719 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.643 4.974 -12.168 1.00 0.00 H new ATOM 773 N GLY A 52 -13.951 3.391 -11.531 1.00 0.00 N ATOM 774 CA GLY A 52 -14.781 2.225 -11.672 1.00 0.00 C ATOM 775 C GLY A 52 -15.191 1.714 -10.321 1.00 0.00 C ATOM 776 O GLY A 52 -15.959 2.365 -9.603 1.00 0.00 O ATOM 0 H GLY A 52 -14.454 4.277 -11.585 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -15.666 2.468 -12.261 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.241 1.449 -12.214 1.00 0.00 H new ATOM 780 N ASN A 53 -14.692 0.568 -9.966 1.00 0.00 N ATOM 781 CA ASN A 53 -14.922 0.015 -8.653 1.00 0.00 C ATOM 782 C ASN A 53 -13.780 0.487 -7.783 1.00 0.00 C ATOM 783 O ASN A 53 -12.669 0.693 -8.294 1.00 0.00 O ATOM 784 CB ASN A 53 -14.917 -1.519 -8.700 1.00 0.00 C ATOM 785 CG ASN A 53 -15.298 -2.162 -7.368 1.00 0.00 C ATOM 786 OD1 ASN A 53 -16.119 -1.641 -6.617 1.00 0.00 O ATOM 787 ND2 ASN A 53 -14.700 -3.277 -7.058 1.00 0.00 N ATOM 0 H ASN A 53 -14.114 -0.014 -10.573 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.890 0.336 -8.268 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.611 -1.855 -9.470 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.925 -1.864 -8.992 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.909 -3.739 -6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.022 -3.688 -7.700 1.00 0.00 H new ATOM 794 N ARG A 54 -14.026 0.699 -6.515 1.00 0.00 N ATOM 795 CA ARG A 54 -12.974 1.126 -5.629 1.00 0.00 C ATOM 796 C ARG A 54 -11.997 0.019 -5.361 1.00 0.00 C ATOM 797 O ARG A 54 -12.257 -0.877 -4.561 1.00 0.00 O ATOM 798 CB ARG A 54 -13.504 1.736 -4.330 1.00 0.00 C ATOM 799 CG ARG A 54 -14.145 3.081 -4.548 1.00 0.00 C ATOM 800 CD ARG A 54 -14.613 3.736 -3.261 1.00 0.00 C ATOM 801 NE ARG A 54 -15.229 5.019 -3.584 1.00 0.00 N ATOM 802 CZ ARG A 54 -15.684 5.926 -2.728 1.00 0.00 C ATOM 803 NH1 ARG A 54 -15.686 5.690 -1.428 1.00 0.00 N ATOM 804 NH2 ARG A 54 -16.154 7.076 -3.192 1.00 0.00 N ATOM 0 H ARG A 54 -14.939 0.584 -6.075 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.440 1.923 -6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.231 1.058 -3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.684 1.838 -3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.433 3.739 -5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.996 2.966 -5.220 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.328 3.092 -2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.772 3.881 -2.584 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.320 5.243 -4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.335 4.802 -1.070 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.039 6.396 -0.782 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.163 7.255 -4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.507 7.781 -2.545 1.00 0.00 H new ATOM 818 N THR A 55 -10.918 0.042 -6.114 1.00 0.00 N ATOM 819 CA THR A 55 -9.828 -0.853 -5.935 1.00 0.00 C ATOM 820 C THR A 55 -9.273 -0.595 -4.553 1.00 0.00 C ATOM 821 O THR A 55 -8.809 0.517 -4.270 1.00 0.00 O ATOM 822 CB THR A 55 -8.749 -0.530 -6.969 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.394 -0.262 -8.228 1.00 0.00 O ATOM 824 CG2 THR A 55 -7.828 -1.714 -7.139 1.00 0.00 C ATOM 0 H THR A 55 -10.785 0.703 -6.880 1.00 0.00 H new ATOM 0 HA THR A 55 -10.142 -1.890 -6.050 1.00 0.00 H new ATOM 0 HB THR A 55 -8.170 0.332 -6.638 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.717 -0.051 -8.904 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.062 -1.476 -7.877 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.353 -1.946 -6.185 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.403 -2.576 -7.477 1.00 0.00 H new ATOM 832 N VAL A 56 -9.374 -1.556 -3.680 1.00 0.00 N ATOM 833 CA VAL A 56 -8.949 -1.315 -2.338 1.00 0.00 C ATOM 834 C VAL A 56 -7.467 -1.297 -2.180 1.00 0.00 C ATOM 835 O VAL A 56 -6.963 -0.291 -1.693 1.00 0.00 O ATOM 836 CB VAL A 56 -9.503 -2.249 -1.279 1.00 0.00 C ATOM 837 CG1 VAL A 56 -9.248 -1.642 0.083 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.948 -2.484 -1.468 1.00 0.00 C ATOM 0 H VAL A 56 -9.738 -2.490 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.373 -0.326 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.002 -3.214 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.641 -2.303 0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.176 -1.512 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.743 -0.673 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.312 -3.157 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.482 -1.536 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.119 -2.932 -2.447 1.00 0.00 H new ATOM 848 N PRO A 57 -6.686 -2.373 -2.591 1.00 0.00 N ATOM 849 CA PRO A 57 -5.318 -2.410 -2.252 1.00 0.00 C ATOM 850 C PRO A 57 -4.472 -1.431 -3.087 1.00 0.00 C ATOM 851 O PRO A 57 -3.807 -1.789 -4.075 1.00 0.00 O ATOM 852 CB PRO A 57 -4.889 -3.846 -2.427 1.00 0.00 C ATOM 853 CG PRO A 57 -5.751 -4.328 -3.533 1.00 0.00 C ATOM 854 CD PRO A 57 -7.051 -3.565 -3.407 1.00 0.00 C ATOM 0 HA PRO A 57 -5.162 -2.079 -1.225 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.831 -3.922 -2.679 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.042 -4.425 -1.516 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.283 -4.146 -4.501 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.920 -5.402 -3.457 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.442 -3.277 -4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.820 -4.163 -2.919 1.00 0.00 H new ATOM 862 N THR A 58 -4.604 -0.232 -2.730 1.00 0.00 N ATOM 863 CA THR A 58 -3.965 0.847 -3.308 1.00 0.00 C ATOM 864 C THR A 58 -2.896 1.278 -2.318 1.00 0.00 C ATOM 865 O THR A 58 -3.181 1.456 -1.122 1.00 0.00 O ATOM 866 CB THR A 58 -5.040 1.938 -3.535 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.103 1.365 -4.330 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.497 3.141 -4.273 1.00 0.00 C ATOM 0 H THR A 58 -5.215 0.039 -1.960 1.00 0.00 H new ATOM 0 HA THR A 58 -3.494 0.632 -4.267 1.00 0.00 H new ATOM 0 HB THR A 58 -5.389 2.273 -2.558 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.903 1.253 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.291 3.875 -4.406 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.685 3.585 -3.697 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.123 2.831 -5.249 1.00 0.00 H new ATOM 876 N VAL A 59 -1.683 1.352 -2.775 1.00 0.00 N ATOM 877 CA VAL A 59 -0.584 1.658 -1.913 1.00 0.00 C ATOM 878 C VAL A 59 -0.071 3.063 -2.169 1.00 0.00 C ATOM 879 O VAL A 59 0.302 3.417 -3.285 1.00 0.00 O ATOM 880 CB VAL A 59 0.564 0.606 -2.036 1.00 0.00 C ATOM 881 CG1 VAL A 59 1.076 0.492 -3.451 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.691 0.925 -1.081 1.00 0.00 C ATOM 0 H VAL A 59 -1.428 1.203 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.951 1.612 -0.888 1.00 0.00 H new ATOM 0 HB VAL A 59 0.145 -0.363 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.873 -0.250 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.262 0.186 -4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.463 1.458 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.478 0.179 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.094 1.912 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.315 0.915 -0.058 1.00 0.00 H new ATOM 892 N LYS A 60 -0.102 3.854 -1.160 1.00 0.00 N ATOM 893 CA LYS A 60 0.367 5.197 -1.223 1.00 0.00 C ATOM 894 C LYS A 60 1.702 5.272 -0.509 1.00 0.00 C ATOM 895 O LYS A 60 1.774 5.113 0.701 1.00 0.00 O ATOM 896 CB LYS A 60 -0.681 6.107 -0.574 1.00 0.00 C ATOM 897 CG LYS A 60 -0.334 7.568 -0.490 1.00 0.00 C ATOM 898 CD LYS A 60 -1.536 8.334 0.019 1.00 0.00 C ATOM 899 CE LYS A 60 -1.234 9.795 0.207 1.00 0.00 C ATOM 900 NZ LYS A 60 -0.276 10.027 1.303 1.00 0.00 N ATOM 0 H LYS A 60 -0.462 3.584 -0.245 1.00 0.00 H new ATOM 0 HA LYS A 60 0.512 5.526 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.612 6.008 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.873 5.742 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.516 7.715 0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.038 7.941 -1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.362 8.222 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.864 7.907 0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.830 10.203 -0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.159 10.332 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.238 11.043 1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.581 9.502 2.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.668 9.699 1.014 1.00 0.00 H new ATOM 914 N PHE A 61 2.755 5.469 -1.256 1.00 0.00 N ATOM 915 CA PHE A 61 4.080 5.527 -0.682 1.00 0.00 C ATOM 916 C PHE A 61 4.331 6.881 -0.061 1.00 0.00 C ATOM 917 O PHE A 61 3.649 7.858 -0.398 1.00 0.00 O ATOM 918 CB PHE A 61 5.158 5.185 -1.716 1.00 0.00 C ATOM 919 CG PHE A 61 5.180 3.735 -2.127 1.00 0.00 C ATOM 920 CD1 PHE A 61 4.372 3.267 -3.161 1.00 0.00 C ATOM 921 CD2 PHE A 61 6.016 2.836 -1.478 1.00 0.00 C ATOM 922 CE1 PHE A 61 4.398 1.931 -3.531 1.00 0.00 C ATOM 923 CE2 PHE A 61 6.044 1.510 -1.843 1.00 0.00 C ATOM 924 CZ PHE A 61 5.236 1.055 -2.869 1.00 0.00 C ATOM 0 H PHE A 61 2.725 5.593 -2.268 1.00 0.00 H new ATOM 0 HA PHE A 61 4.136 4.774 0.104 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.004 5.800 -2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.134 5.451 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.718 3.952 -3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.652 3.182 -0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.766 1.577 -4.332 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.698 0.823 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.260 0.013 -3.153 1.00 0.00 H new ATOM 934 N ALA A 62 5.304 6.936 0.833 1.00 0.00 N ATOM 935 CA ALA A 62 5.662 8.141 1.591 1.00 0.00 C ATOM 936 C ALA A 62 5.984 9.350 0.705 1.00 0.00 C ATOM 937 O ALA A 62 5.828 10.503 1.135 1.00 0.00 O ATOM 938 CB ALA A 62 6.827 7.845 2.521 1.00 0.00 C ATOM 0 H ALA A 62 5.885 6.130 1.063 1.00 0.00 H new ATOM 0 HA ALA A 62 4.781 8.414 2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.085 8.745 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.545 7.055 3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.687 7.522 1.935 1.00 0.00 H new ATOM 944 N ASP A 63 6.387 9.094 -0.524 1.00 0.00 N ATOM 945 CA ASP A 63 6.761 10.156 -1.449 1.00 0.00 C ATOM 946 C ASP A 63 5.516 10.786 -2.082 1.00 0.00 C ATOM 947 O ASP A 63 5.566 11.897 -2.610 1.00 0.00 O ATOM 948 CB ASP A 63 7.702 9.632 -2.542 1.00 0.00 C ATOM 949 CG ASP A 63 6.998 8.847 -3.633 1.00 0.00 C ATOM 950 OD1 ASP A 63 6.291 7.866 -3.328 1.00 0.00 O ATOM 951 OD2 ASP A 63 7.166 9.195 -4.824 1.00 0.00 O ATOM 0 H ASP A 63 6.466 8.154 -0.911 1.00 0.00 H new ATOM 0 HA ASP A 63 7.290 10.921 -0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.224 10.476 -2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.460 8.997 -2.082 1.00 0.00 H new ATOM 956 N GLY A 64 4.398 10.095 -1.995 1.00 0.00 N ATOM 957 CA GLY A 64 3.161 10.612 -2.529 1.00 0.00 C ATOM 958 C GLY A 64 2.682 9.863 -3.754 1.00 0.00 C ATOM 959 O GLY A 64 1.547 10.081 -4.220 1.00 0.00 O ATOM 0 H GLY A 64 4.323 9.176 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.392 10.565 -1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.294 11.664 -2.783 1.00 0.00 H new ATOM 963 N SER A 65 3.501 8.977 -4.271 1.00 0.00 N ATOM 964 CA SER A 65 3.119 8.198 -5.419 1.00 0.00 C ATOM 965 C SER A 65 2.211 7.060 -4.946 1.00 0.00 C ATOM 966 O SER A 65 2.463 6.441 -3.898 1.00 0.00 O ATOM 967 CB SER A 65 4.366 7.657 -6.130 1.00 0.00 C ATOM 968 OG SER A 65 4.053 7.028 -7.366 1.00 0.00 O ATOM 0 H SER A 65 4.435 8.780 -3.913 1.00 0.00 H new ATOM 0 HA SER A 65 2.578 8.816 -6.136 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.064 8.475 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.871 6.943 -5.479 1.00 0.00 H new ATOM 0 HG SER A 65 4.877 6.700 -7.784 1.00 0.00 H new ATOM 974 N THR A 66 1.136 6.824 -5.662 1.00 0.00 N ATOM 975 CA THR A 66 0.211 5.794 -5.285 1.00 0.00 C ATOM 976 C THR A 66 0.187 4.734 -6.381 1.00 0.00 C ATOM 977 O THR A 66 0.215 5.060 -7.565 1.00 0.00 O ATOM 978 CB THR A 66 -1.183 6.420 -5.120 1.00 0.00 C ATOM 979 OG1 THR A 66 -1.006 7.707 -4.520 1.00 0.00 O ATOM 980 CG2 THR A 66 -2.033 5.590 -4.187 1.00 0.00 C ATOM 0 H THR A 66 0.885 7.335 -6.509 1.00 0.00 H new ATOM 0 HA THR A 66 0.510 5.331 -4.345 1.00 0.00 H new ATOM 0 HB THR A 66 -1.672 6.480 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.879 8.136 -4.402 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.016 6.050 -4.084 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.144 4.585 -4.593 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.553 5.535 -3.210 1.00 0.00 H new ATOM 988 N LEU A 67 0.156 3.492 -6.000 1.00 0.00 N ATOM 989 CA LEU A 67 0.136 2.396 -6.943 1.00 0.00 C ATOM 990 C LEU A 67 -1.081 1.536 -6.735 1.00 0.00 C ATOM 991 O LEU A 67 -1.506 1.301 -5.596 1.00 0.00 O ATOM 992 CB LEU A 67 1.415 1.539 -6.879 1.00 0.00 C ATOM 993 CG LEU A 67 2.659 2.045 -7.633 1.00 0.00 C ATOM 994 CD1 LEU A 67 3.222 3.364 -7.106 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.715 0.964 -7.694 1.00 0.00 C ATOM 0 H LEU A 67 0.144 3.201 -5.022 1.00 0.00 H new ATOM 0 HA LEU A 67 0.094 2.838 -7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.685 1.419 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.173 0.547 -7.261 1.00 0.00 H new ATOM 0 HG LEU A 67 2.329 2.275 -8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.096 3.647 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.463 4.142 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.510 3.245 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.588 1.338 -8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.005 0.681 -6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.315 0.094 -8.214 1.00 0.00 H new ATOM 1007 N THR A 68 -1.629 1.075 -7.814 1.00 0.00 N ATOM 1008 CA THR A 68 -2.811 0.269 -7.790 1.00 0.00 C ATOM 1009 C THR A 68 -2.410 -1.210 -7.907 1.00 0.00 C ATOM 1010 O THR A 68 -1.797 -1.606 -8.906 1.00 0.00 O ATOM 1011 CB THR A 68 -3.720 0.665 -8.973 1.00 0.00 C ATOM 1012 OG1 THR A 68 -3.822 2.114 -9.033 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.109 0.078 -8.805 1.00 0.00 C ATOM 0 H THR A 68 -1.264 1.249 -8.750 1.00 0.00 H new ATOM 0 HA THR A 68 -3.352 0.424 -6.857 1.00 0.00 H new ATOM 0 HB THR A 68 -3.283 0.276 -9.893 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.397 2.371 -9.784 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.732 0.370 -9.650 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.042 -1.009 -8.762 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.552 0.451 -7.882 1.00 0.00 H new ATOM 1021 N ASN A 69 -2.706 -1.981 -6.849 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.436 -3.446 -6.734 1.00 0.00 C ATOM 1023 C ASN A 69 -1.156 -3.969 -7.401 1.00 0.00 C ATOM 1024 O ASN A 69 -1.196 -4.582 -8.473 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.654 -4.377 -7.019 1.00 0.00 C ATOM 1026 CG ASN A 69 -4.268 -4.307 -8.427 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -4.291 -3.274 -9.076 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -4.788 -5.419 -8.894 1.00 0.00 N ATOM 0 H ASN A 69 -3.155 -1.601 -6.016 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.239 -3.512 -5.664 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.345 -5.406 -6.834 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.436 -4.144 -6.296 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.222 -5.431 -9.817 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.757 -6.271 -8.334 1.00 0.00 H new ATOM 1035 N PRO A 70 0.007 -3.705 -6.795 1.00 0.00 N ATOM 1036 CA PRO A 70 1.269 -4.231 -7.274 1.00 0.00 C ATOM 1037 C PRO A 70 1.589 -5.571 -6.576 1.00 0.00 C ATOM 1038 O PRO A 70 0.712 -6.179 -5.946 1.00 0.00 O ATOM 1039 CB PRO A 70 2.239 -3.149 -6.819 1.00 0.00 C ATOM 1040 CG PRO A 70 1.702 -2.740 -5.492 1.00 0.00 C ATOM 1041 CD PRO A 70 0.199 -2.840 -5.606 1.00 0.00 C ATOM 0 HA PRO A 70 1.296 -4.435 -8.344 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.257 -3.530 -6.740 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.264 -2.313 -7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.078 -3.389 -4.701 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.008 -1.724 -5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.244 -3.279 -4.712 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.261 -1.861 -5.742 1.00 0.00 H new ATOM 1049 N SER A 71 2.813 -6.016 -6.681 1.00 0.00 N ATOM 1050 CA SER A 71 3.248 -7.227 -6.021 1.00 0.00 C ATOM 1051 C SER A 71 4.305 -6.869 -4.970 1.00 0.00 C ATOM 1052 O SER A 71 4.780 -5.722 -4.946 1.00 0.00 O ATOM 1053 CB SER A 71 3.796 -8.203 -7.061 1.00 0.00 C ATOM 1054 OG SER A 71 2.810 -8.463 -8.059 1.00 0.00 O ATOM 0 H SER A 71 3.540 -5.552 -7.226 1.00 0.00 H new ATOM 0 HA SER A 71 2.412 -7.710 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.692 -7.788 -7.523 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.089 -9.135 -6.577 1.00 0.00 H new ATOM 0 HG SER A 71 3.172 -9.088 -8.721 1.00 0.00 H new ATOM 1060 N ALA A 72 4.676 -7.825 -4.120 1.00 0.00 N ATOM 1061 CA ALA A 72 5.639 -7.584 -3.039 1.00 0.00 C ATOM 1062 C ALA A 72 6.979 -7.097 -3.573 1.00 0.00 C ATOM 1063 O ALA A 72 7.567 -6.166 -3.025 1.00 0.00 O ATOM 1064 CB ALA A 72 5.830 -8.836 -2.193 1.00 0.00 C ATOM 0 H ALA A 72 4.323 -8.781 -4.157 1.00 0.00 H new ATOM 0 HA ALA A 72 5.226 -6.796 -2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.548 -8.632 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.876 -9.127 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.203 -9.646 -2.820 1.00 0.00 H new ATOM 1070 N ASP A 73 7.438 -7.700 -4.669 1.00 0.00 N ATOM 1071 CA ASP A 73 8.720 -7.320 -5.279 1.00 0.00 C ATOM 1072 C ASP A 73 8.688 -5.903 -5.812 1.00 0.00 C ATOM 1073 O ASP A 73 9.699 -5.186 -5.757 1.00 0.00 O ATOM 1074 CB ASP A 73 9.167 -8.295 -6.376 1.00 0.00 C ATOM 1075 CG ASP A 73 9.677 -9.614 -5.842 1.00 0.00 C ATOM 1076 OD1 ASP A 73 8.868 -10.539 -5.636 1.00 0.00 O ATOM 1077 OD2 ASP A 73 10.908 -9.756 -5.635 1.00 0.00 O ATOM 0 H ASP A 73 6.947 -8.451 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 73 9.459 -7.371 -4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.329 -8.484 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.951 -7.826 -6.970 1.00 0.00 H new ATOM 1082 N GLU A 74 7.525 -5.495 -6.297 1.00 0.00 N ATOM 1083 CA GLU A 74 7.317 -4.141 -6.797 1.00 0.00 C ATOM 1084 C GLU A 74 7.481 -3.165 -5.651 1.00 0.00 C ATOM 1085 O GLU A 74 8.258 -2.218 -5.723 1.00 0.00 O ATOM 1086 CB GLU A 74 5.899 -3.985 -7.371 1.00 0.00 C ATOM 1087 CG GLU A 74 5.567 -4.904 -8.532 1.00 0.00 C ATOM 1088 CD GLU A 74 6.479 -4.693 -9.699 1.00 0.00 C ATOM 1089 OE1 GLU A 74 6.237 -3.762 -10.501 1.00 0.00 O ATOM 1090 OE2 GLU A 74 7.456 -5.431 -9.828 1.00 0.00 O ATOM 0 H GLU A 74 6.699 -6.091 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 74 8.044 -3.943 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.179 -4.161 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.768 -2.953 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.635 -5.941 -8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.536 -4.735 -8.844 1.00 0.00 H new ATOM 1097 N VAL A 75 6.769 -3.451 -4.573 1.00 0.00 N ATOM 1098 CA VAL A 75 6.775 -2.623 -3.383 1.00 0.00 C ATOM 1099 C VAL A 75 8.173 -2.542 -2.789 1.00 0.00 C ATOM 1100 O VAL A 75 8.637 -1.477 -2.462 1.00 0.00 O ATOM 1101 CB VAL A 75 5.770 -3.155 -2.325 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.804 -2.318 -1.055 1.00 0.00 C ATOM 1103 CG2 VAL A 75 4.365 -3.175 -2.903 1.00 0.00 C ATOM 0 H VAL A 75 6.167 -4.271 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 75 6.463 -1.620 -3.675 1.00 0.00 H new ATOM 0 HB VAL A 75 6.065 -4.171 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.089 -2.718 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.805 -2.349 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.542 -1.287 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.668 -3.550 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.077 -2.165 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.341 -3.825 -3.778 1.00 0.00 H new ATOM 1113 N LYS A 76 8.833 -3.671 -2.708 1.00 0.00 N ATOM 1114 CA LYS A 76 10.184 -3.774 -2.173 1.00 0.00 C ATOM 1115 C LYS A 76 11.183 -2.890 -2.951 1.00 0.00 C ATOM 1116 O LYS A 76 11.946 -2.128 -2.352 1.00 0.00 O ATOM 1117 CB LYS A 76 10.605 -5.241 -2.201 1.00 0.00 C ATOM 1118 CG LYS A 76 12.030 -5.545 -1.751 1.00 0.00 C ATOM 1119 CD LYS A 76 12.332 -7.041 -1.872 1.00 0.00 C ATOM 1120 CE LYS A 76 12.183 -7.527 -3.316 1.00 0.00 C ATOM 1121 NZ LYS A 76 12.395 -8.979 -3.460 1.00 0.00 N ATOM 0 H LYS A 76 8.447 -4.564 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 76 10.189 -3.407 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.919 -5.806 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.481 -5.613 -3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.736 -4.977 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.166 -5.225 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.346 -7.238 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.658 -7.603 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.187 -7.273 -3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.896 -6.997 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.705 -9.365 -4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.358 -9.156 -3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.271 -9.441 -2.537 1.00 0.00 H new ATOM 1135 N ALA A 77 11.135 -2.950 -4.277 1.00 0.00 N ATOM 1136 CA ALA A 77 12.062 -2.177 -5.107 1.00 0.00 C ATOM 1137 C ALA A 77 11.725 -0.685 -5.085 1.00 0.00 C ATOM 1138 O ALA A 77 12.579 0.164 -5.376 1.00 0.00 O ATOM 1139 CB ALA A 77 12.078 -2.710 -6.521 1.00 0.00 C ATOM 0 H ALA A 77 10.471 -3.520 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 77 13.061 -2.290 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.772 -2.124 -7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.396 -3.753 -6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.078 -2.639 -6.948 1.00 0.00 H new ATOM 1145 N LYS A 78 10.496 -0.371 -4.758 1.00 0.00 N ATOM 1146 CA LYS A 78 10.084 1.008 -4.575 1.00 0.00 C ATOM 1147 C LYS A 78 10.479 1.466 -3.195 1.00 0.00 C ATOM 1148 O LYS A 78 10.952 2.573 -3.019 1.00 0.00 O ATOM 1149 CB LYS A 78 8.577 1.152 -4.725 1.00 0.00 C ATOM 1150 CG LYS A 78 8.041 0.959 -6.120 1.00 0.00 C ATOM 1151 CD LYS A 78 8.424 2.112 -7.030 1.00 0.00 C ATOM 1152 CE LYS A 78 7.732 2.009 -8.381 1.00 0.00 C ATOM 1153 NZ LYS A 78 8.132 0.810 -9.128 1.00 0.00 N ATOM 0 H LYS A 78 9.754 -1.055 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 78 10.573 1.616 -5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.094 0.431 -4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.288 2.144 -4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.425 0.026 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.955 0.868 -6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.158 3.056 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.505 2.121 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.652 1.997 -8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.963 2.895 -8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.699 0.830 -10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.168 0.789 -9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.813 -0.039 -8.619 1.00 0.00 H new ATOM 1167 N LEU A 79 10.297 0.587 -2.233 1.00 0.00 N ATOM 1168 CA LEU A 79 10.590 0.849 -0.837 1.00 0.00 C ATOM 1169 C LEU A 79 12.033 1.286 -0.694 1.00 0.00 C ATOM 1170 O LEU A 79 12.325 2.311 -0.074 1.00 0.00 O ATOM 1171 CB LEU A 79 10.345 -0.416 0.008 1.00 0.00 C ATOM 1172 CG LEU A 79 10.435 -0.279 1.533 1.00 0.00 C ATOM 1173 CD1 LEU A 79 9.269 0.517 2.111 1.00 0.00 C ATOM 1174 CD2 LEU A 79 10.550 -1.642 2.194 1.00 0.00 C ATOM 0 H LEU A 79 9.933 -0.351 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 79 9.932 1.642 -0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.354 -0.797 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.064 -1.173 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 79 11.342 0.285 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.377 0.587 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.264 1.519 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.332 0.015 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.612 -1.518 3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.673 -2.241 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.447 -2.146 1.834 1.00 0.00 H new ATOM 1186 N VAL A 80 12.922 0.538 -1.328 1.00 0.00 N ATOM 1187 CA VAL A 80 14.339 0.829 -1.277 1.00 0.00 C ATOM 1188 C VAL A 80 14.657 2.225 -1.855 1.00 0.00 C ATOM 1189 O VAL A 80 15.506 2.930 -1.340 1.00 0.00 O ATOM 1190 CB VAL A 80 15.216 -0.278 -1.959 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.978 -1.643 -1.332 1.00 0.00 C ATOM 1192 CG2 VAL A 80 15.000 -0.345 -3.453 1.00 0.00 C ATOM 0 H VAL A 80 12.681 -0.280 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 80 14.607 0.832 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 80 16.254 0.007 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.602 -2.386 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.232 -1.606 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.929 -1.917 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.630 -1.127 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.954 -0.570 -3.660 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.260 0.614 -3.902 1.00 0.00 H new ATOM 1202 N LYS A 81 13.953 2.635 -2.898 1.00 0.00 N ATOM 1203 CA LYS A 81 14.212 3.936 -3.485 1.00 0.00 C ATOM 1204 C LYS A 81 13.523 5.089 -2.744 1.00 0.00 C ATOM 1205 O LYS A 81 14.078 6.184 -2.644 1.00 0.00 O ATOM 1206 CB LYS A 81 13.914 3.996 -4.990 1.00 0.00 C ATOM 1207 CG LYS A 81 12.484 3.706 -5.398 1.00 0.00 C ATOM 1208 CD LYS A 81 12.229 4.115 -6.843 1.00 0.00 C ATOM 1209 CE LYS A 81 13.213 3.465 -7.794 1.00 0.00 C ATOM 1210 NZ LYS A 81 13.073 3.954 -9.173 1.00 0.00 N ATOM 0 H LYS A 81 13.212 2.097 -3.347 1.00 0.00 H new ATOM 0 HA LYS A 81 15.286 4.075 -3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.180 4.989 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.566 3.286 -5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.277 2.643 -5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.800 4.241 -4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.213 3.838 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.300 5.199 -6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.228 3.655 -7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.068 2.385 -7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.769 3.478 -9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.113 3.750 -9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.238 4.981 -9.196 1.00 0.00 H new ATOM 1224 N ILE A 82 12.322 4.864 -2.240 1.00 0.00 N ATOM 1225 CA ILE A 82 11.581 5.947 -1.600 1.00 0.00 C ATOM 1226 C ILE A 82 11.945 6.149 -0.145 1.00 0.00 C ATOM 1227 O ILE A 82 11.856 7.255 0.370 1.00 0.00 O ATOM 1228 CB ILE A 82 10.025 5.878 -1.838 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.346 4.590 -1.283 1.00 0.00 C ATOM 1230 CG2 ILE A 82 9.731 6.017 -3.317 1.00 0.00 C ATOM 1231 CD1 ILE A 82 9.123 4.551 0.222 1.00 0.00 C ATOM 0 H ILE A 82 11.844 3.963 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 82 11.912 6.849 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 82 9.596 6.707 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.382 4.470 -1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.957 3.732 -1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.654 5.969 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.110 6.974 -3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.217 5.208 -3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.645 3.610 0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.082 4.633 0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.482 5.382 0.517 1.00 0.00 H new ATOM 1243 N ALA A 83 12.346 5.089 0.518 1.00 0.00 N ATOM 1244 CA ALA A 83 12.763 5.199 1.891 1.00 0.00 C ATOM 1245 C ALA A 83 14.256 5.423 1.945 1.00 0.00 C ATOM 1246 O ALA A 83 14.768 6.100 2.841 1.00 0.00 O ATOM 1247 CB ALA A 83 12.371 3.962 2.677 1.00 0.00 C ATOM 0 H ALA A 83 12.391 4.147 0.129 1.00 0.00 H new ATOM 0 HA ALA A 83 12.259 6.050 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.697 4.070 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.288 3.841 2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.846 3.085 2.236 1.00 0.00 H new ATOM 1253 N GLY A 84 14.949 4.877 0.969 1.00 0.00 N ATOM 1254 CA GLY A 84 16.366 5.026 0.896 1.00 0.00 C ATOM 1255 C GLY A 84 17.062 3.832 1.478 1.00 0.00 C ATOM 1256 O GLY A 84 16.559 2.699 1.385 1.00 0.00 O ATOM 0 H GLY A 84 14.540 4.324 0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.669 5.157 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.669 5.925 1.432 1.00 0.00 H new ATOM 1260 N LEU A 85 18.171 4.073 2.119 1.00 0.00 N ATOM 1261 CA LEU A 85 18.970 3.012 2.701 1.00 0.00 C ATOM 1262 C LEU A 85 18.270 2.408 3.896 1.00 0.00 C ATOM 1263 O LEU A 85 18.414 1.225 4.171 1.00 0.00 O ATOM 1264 CB LEU A 85 20.386 3.498 3.085 1.00 0.00 C ATOM 1265 CG LEU A 85 21.400 3.755 1.939 1.00 0.00 C ATOM 1266 CD1 LEU A 85 21.673 2.484 1.156 1.00 0.00 C ATOM 1267 CD2 LEU A 85 20.950 4.874 1.007 1.00 0.00 C ATOM 0 H LEU A 85 18.554 5.008 2.257 1.00 0.00 H new ATOM 0 HA LEU A 85 19.087 2.241 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 85 20.280 4.423 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 85 20.822 2.760 3.758 1.00 0.00 H new ATOM 0 HG LEU A 85 22.328 4.080 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 85 22.387 2.694 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 85 22.086 1.727 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.743 2.117 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 85 21.693 5.015 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 85 19.993 4.610 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 85 20.841 5.798 1.574 1.00 0.00 H new ATOM 1279 N GLU A 86 17.498 3.209 4.587 1.00 0.00 N ATOM 1280 CA GLU A 86 16.771 2.727 5.725 1.00 0.00 C ATOM 1281 C GLU A 86 15.345 2.409 5.329 1.00 0.00 C ATOM 1282 O GLU A 86 14.487 3.294 5.255 1.00 0.00 O ATOM 1283 CB GLU A 86 16.782 3.728 6.865 1.00 0.00 C ATOM 1284 CG GLU A 86 18.166 4.163 7.292 1.00 0.00 C ATOM 1285 CD GLU A 86 18.115 5.053 8.489 1.00 0.00 C ATOM 1286 OE1 GLU A 86 17.723 6.224 8.362 1.00 0.00 O ATOM 1287 OE2 GLU A 86 18.445 4.595 9.595 1.00 0.00 O ATOM 0 H GLU A 86 17.359 4.198 4.378 1.00 0.00 H new ATOM 0 HA GLU A 86 17.264 1.820 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.212 4.608 6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.269 3.292 7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.772 3.285 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.654 4.686 6.469 1.00 0.00 H new ATOM 1294 N HIS A 87 15.125 1.180 4.999 1.00 0.00 N ATOM 1295 CA HIS A 87 13.808 0.698 4.651 1.00 0.00 C ATOM 1296 C HIS A 87 13.363 -0.388 5.618 1.00 0.00 C ATOM 1297 O HIS A 87 12.260 -0.929 5.521 1.00 0.00 O ATOM 1298 CB HIS A 87 13.713 0.289 3.158 1.00 0.00 C ATOM 1299 CG HIS A 87 14.853 -0.533 2.643 1.00 0.00 C ATOM 1300 ND1 HIS A 87 15.980 0.011 2.059 1.00 0.00 N ATOM 1301 CD2 HIS A 87 15.027 -1.871 2.620 1.00 0.00 C ATOM 1302 CE1 HIS A 87 16.785 -0.987 1.712 1.00 0.00 C ATOM 1303 NE2 HIS A 87 16.255 -2.160 2.029 1.00 0.00 N ATOM 0 H HIS A 87 15.853 0.467 4.960 1.00 0.00 H new ATOM 0 HA HIS A 87 13.098 1.518 4.760 1.00 0.00 H new ATOM 0 HB2 HIS A 87 12.789 -0.270 3.010 1.00 0.00 H new ATOM 0 HB3 HIS A 87 13.638 1.194 2.555 1.00 0.00 H new ATOM 0 HD1 HIS A 87 16.162 1.005 1.919 1.00 0.00 H new ATOM 0 HD2 HIS A 87 14.327 -2.601 2.999 1.00 0.00 H new ATOM 0 HE1 HIS A 87 17.745 -0.860 1.234 1.00 0.00 H new ATOM 1311 N HIS A 88 14.243 -0.688 6.549 1.00 0.00 N ATOM 1312 CA HIS A 88 13.982 -1.575 7.656 1.00 0.00 C ATOM 1313 C HIS A 88 14.560 -0.938 8.908 1.00 0.00 C ATOM 1314 O HIS A 88 15.778 -1.066 9.165 1.00 0.00 O ATOM 1315 CB HIS A 88 14.558 -2.996 7.452 1.00 0.00 C ATOM 1316 CG HIS A 88 13.852 -3.834 6.423 1.00 0.00 C ATOM 1317 ND1 HIS A 88 12.682 -4.518 6.666 1.00 0.00 N ATOM 1318 CD2 HIS A 88 14.177 -4.109 5.136 1.00 0.00 C ATOM 1319 CE1 HIS A 88 12.344 -5.169 5.559 1.00 0.00 C ATOM 1320 NE2 HIS A 88 13.212 -4.958 4.593 1.00 0.00 N ATOM 0 H HIS A 88 15.189 -0.308 6.554 1.00 0.00 H new ATOM 0 HA HIS A 88 12.904 -1.709 7.743 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.606 -2.908 7.167 1.00 0.00 H new ATOM 0 HB3 HIS A 88 14.530 -3.522 8.406 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.044 -3.731 4.614 1.00 0.00 H new ATOM 0 HE1 HIS A 88 11.467 -5.793 5.464 1.00 0.00 H new ATOM 0 HE2 HIS A 88 13.185 -5.336 3.646 1.00 0.00 H new TER 1328 HIS A 88