USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 150:sc= -1.41 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 12 HIS : no HD1:sc= -6.29! C(o=-6.3!,f=-5.9!) USER MOD Single : A 20 ASN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.434 K(o=-0.43,f=-5!) USER MOD Single : A 23 MET CE :methyl -128:sc= -0.456 (180deg=-2.31!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.164) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -3.1 X(o=-3.1,f=-3.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.414 F(o=-0.94,f=-0.41) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.527 USER MOD Single : A 73 SER OG : rot -72:sc= 0.498 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 0:sc= -0.105 USER MOD Single : A 77 ASN : amide:sc= -4.28! C(o=-4.3!,f=-6.5!) USER MOD Single : A 79 THR OG1 : rot -153:sc= -2.23 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.337 USER MOD Single : A 82 SER OG : rot 172:sc= -2.67! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0719 USER MOD Single : A 84 ASN : amide:sc=-0.00276 X(o=-0.0028,f=-0.49) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -2.27 X(o=-2.3,f=-2.7!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 8.751 14.678 6.231 1.00 0.00 N ATOM 2 CA ARG A 1 7.949 14.297 5.040 1.00 0.00 C ATOM 3 C ARG A 1 8.410 12.960 4.469 1.00 0.00 C ATOM 4 O ARG A 1 9.472 12.870 3.852 1.00 0.00 O ATOM 5 CB ARG A 1 8.089 15.397 3.986 1.00 0.00 C ATOM 6 CG ARG A 1 6.812 15.657 3.204 1.00 0.00 C ATOM 7 CD ARG A 1 6.324 14.400 2.501 1.00 0.00 C ATOM 8 NE ARG A 1 5.386 13.642 3.325 1.00 0.00 N ATOM 9 CZ ARG A 1 4.181 14.083 3.675 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.762 15.277 3.274 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.390 13.329 4.426 1.00 0.00 N ATOM 0 H1 ARG A 1 8.415 15.591 6.598 1.00 0.00 H new ATOM 0 H2 ARG A 1 8.647 13.950 6.967 1.00 0.00 H new ATOM 0 H3 ARG A 1 9.753 14.760 5.963 1.00 0.00 H new ATOM 0 HA ARG A 1 6.905 14.186 5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 1 8.400 16.320 4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 1 8.882 15.123 3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.038 16.021 3.880 1.00 0.00 H new ATOM 0 HG3 ARG A 1 6.988 16.442 2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.843 14.673 1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.178 13.770 2.250 1.00 0.00 H new ATOM 0 HE ARG A 1 5.672 12.719 3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.365 15.861 2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.837 15.610 3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 1 3.705 12.410 4.736 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.466 13.668 4.694 1.00 0.00 H new ATOM 27 N ASP A 2 7.605 11.924 4.680 1.00 0.00 N ATOM 28 CA ASP A 2 7.931 10.591 4.186 1.00 0.00 C ATOM 29 C ASP A 2 7.114 10.257 2.942 1.00 0.00 C ATOM 30 O ASP A 2 5.890 10.139 3.004 1.00 0.00 O ATOM 31 CB ASP A 2 7.676 9.545 5.273 1.00 0.00 C ATOM 32 CG ASP A 2 8.419 8.249 5.015 1.00 0.00 C ATOM 33 OD1 ASP A 2 8.047 7.533 4.062 1.00 0.00 O ATOM 34 OD2 ASP A 2 9.371 7.951 5.765 1.00 0.00 O ATOM 0 H ASP A 2 6.723 11.982 5.189 1.00 0.00 H new ATOM 0 HA ASP A 2 8.988 10.578 3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.979 9.948 6.239 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.607 9.342 5.334 1.00 0.00 H new ATOM 39 N SER A 3 7.800 10.106 1.814 1.00 0.00 N ATOM 40 CA SER A 3 7.138 9.785 0.554 1.00 0.00 C ATOM 41 C SER A 3 8.159 9.601 -0.564 1.00 0.00 C ATOM 42 O SER A 3 9.322 9.981 -0.424 1.00 0.00 O ATOM 43 CB SER A 3 6.146 10.889 0.179 1.00 0.00 C ATOM 44 OG SER A 3 6.449 12.098 0.853 1.00 0.00 O ATOM 0 H SER A 3 8.813 10.201 1.746 1.00 0.00 H new ATOM 0 HA SER A 3 6.596 8.849 0.685 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.171 11.054 -0.898 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.133 10.573 0.430 1.00 0.00 H new ATOM 0 HG SER A 3 6.172 12.859 0.301 1.00 0.00 H new ATOM 50 N GLY A 4 7.719 9.015 -1.674 1.00 0.00 N ATOM 51 CA GLY A 4 8.609 8.793 -2.797 1.00 0.00 C ATOM 52 C GLY A 4 9.701 7.792 -2.482 1.00 0.00 C ATOM 53 O GLY A 4 9.505 6.877 -1.683 1.00 0.00 O ATOM 0 H GLY A 4 6.762 8.691 -1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.031 8.439 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.062 9.740 -3.090 1.00 0.00 H new ATOM 57 N THR A 5 10.857 7.970 -3.115 1.00 0.00 N ATOM 58 CA THR A 5 11.998 7.081 -2.907 1.00 0.00 C ATOM 59 C THR A 5 12.226 6.806 -1.432 1.00 0.00 C ATOM 60 O THR A 5 12.083 7.691 -0.587 1.00 0.00 O ATOM 61 CB THR A 5 13.261 7.683 -3.525 1.00 0.00 C ATOM 62 OG1 THR A 5 12.967 8.306 -4.763 1.00 0.00 O ATOM 63 CG2 THR A 5 14.349 6.665 -3.770 1.00 0.00 C ATOM 0 H THR A 5 11.030 8.725 -3.779 1.00 0.00 H new ATOM 0 HA THR A 5 11.773 6.134 -3.398 1.00 0.00 H new ATOM 0 HB THR A 5 13.622 8.408 -2.795 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.787 8.686 -5.141 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.216 7.158 -4.209 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.634 6.203 -2.825 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.983 5.898 -4.453 1.00 0.00 H new ATOM 71 N VAL A 6 12.573 5.564 -1.136 1.00 0.00 N ATOM 72 CA VAL A 6 12.816 5.141 0.228 1.00 0.00 C ATOM 73 C VAL A 6 14.103 4.327 0.321 1.00 0.00 C ATOM 74 O VAL A 6 14.477 3.631 -0.624 1.00 0.00 O ATOM 75 CB VAL A 6 11.635 4.297 0.745 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.859 2.851 0.417 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.416 4.496 2.240 1.00 0.00 C ATOM 0 H VAL A 6 12.693 4.827 -1.831 1.00 0.00 H new ATOM 0 HA VAL A 6 12.919 6.034 0.845 1.00 0.00 H new ATOM 0 HB VAL A 6 10.727 4.633 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.020 2.260 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.940 2.731 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.779 2.509 0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.575 3.885 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.314 4.199 2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.202 5.546 2.440 1.00 0.00 H new ATOM 87 N TRP A 7 14.770 4.404 1.465 1.00 0.00 N ATOM 88 CA TRP A 7 16.005 3.663 1.673 1.00 0.00 C ATOM 89 C TRP A 7 15.849 2.673 2.820 1.00 0.00 C ATOM 90 O TRP A 7 15.436 3.043 3.920 1.00 0.00 O ATOM 91 CB TRP A 7 17.159 4.626 1.952 1.00 0.00 C ATOM 92 CG TRP A 7 17.444 5.543 0.802 1.00 0.00 C ATOM 93 CD1 TRP A 7 16.839 6.738 0.536 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.400 5.335 -0.243 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.361 7.286 -0.610 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.323 6.444 -1.107 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.316 4.319 -0.530 1.00 0.00 C ATOM 98 CZ2 TRP A 7 19.125 6.563 -2.238 1.00 0.00 C ATOM 99 CZ3 TRP A 7 20.112 4.440 -1.653 1.00 0.00 C ATOM 100 CH2 TRP A 7 20.014 5.555 -2.495 1.00 0.00 C ATOM 0 H TRP A 7 14.477 4.971 2.261 1.00 0.00 H new ATOM 0 HA TRP A 7 16.230 3.103 0.765 1.00 0.00 H new ATOM 0 HB2 TRP A 7 16.924 5.221 2.835 1.00 0.00 H new ATOM 0 HB3 TRP A 7 18.056 4.052 2.184 1.00 0.00 H new ATOM 0 HD1 TRP A 7 16.063 7.187 1.139 1.00 0.00 H new ATOM 0 HE1 TRP A 7 17.079 8.175 -1.024 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.400 3.456 0.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 19.048 7.421 -2.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.823 3.661 -1.886 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.652 5.620 -3.364 1.00 0.00 H new ATOM 111 N GLY A 8 16.174 1.411 2.558 1.00 0.00 N ATOM 112 CA GLY A 8 16.050 0.389 3.591 1.00 0.00 C ATOM 113 C GLY A 8 17.065 -0.729 3.438 1.00 0.00 C ATOM 114 O GLY A 8 17.852 -0.733 2.493 1.00 0.00 O ATOM 0 H GLY A 8 16.518 1.076 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.172 0.852 4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.045 -0.032 3.560 1.00 0.00 H new ATOM 118 N ALA A 9 17.050 -1.682 4.372 1.00 0.00 N ATOM 119 CA ALA A 9 17.978 -2.804 4.327 1.00 0.00 C ATOM 120 C ALA A 9 17.230 -4.130 4.326 1.00 0.00 C ATOM 121 O ALA A 9 16.284 -4.323 5.091 1.00 0.00 O ATOM 122 CB ALA A 9 18.944 -2.746 5.498 1.00 0.00 C ATOM 0 H ALA A 9 16.407 -1.696 5.164 1.00 0.00 H new ATOM 0 HA ALA A 9 18.548 -2.732 3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.629 -3.592 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.512 -1.817 5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.385 -2.787 6.433 1.00 0.00 H new ATOM 128 N LEU A 10 17.660 -5.040 3.465 1.00 0.00 N ATOM 129 CA LEU A 10 17.030 -6.353 3.359 1.00 0.00 C ATOM 130 C LEU A 10 16.957 -7.036 4.718 1.00 0.00 C ATOM 131 O LEU A 10 17.928 -7.048 5.473 1.00 0.00 O ATOM 132 CB LEU A 10 17.805 -7.230 2.374 1.00 0.00 C ATOM 133 CG LEU A 10 16.949 -8.083 1.436 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.512 -7.269 0.229 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.722 -9.315 0.998 1.00 0.00 C ATOM 0 H LEU A 10 18.443 -4.896 2.828 1.00 0.00 H new ATOM 0 HA LEU A 10 16.013 -6.213 2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.446 -6.588 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.460 -7.891 2.941 1.00 0.00 H new ATOM 0 HG LEU A 10 16.056 -8.405 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.904 -7.891 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.927 -6.411 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.391 -6.920 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.103 -9.915 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.628 -9.009 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.990 -9.906 1.873 1.00 0.00 H new ATOM 147 N GLY A 11 15.797 -7.604 5.018 1.00 0.00 N ATOM 148 CA GLY A 11 15.614 -8.283 6.282 1.00 0.00 C ATOM 149 C GLY A 11 15.184 -7.348 7.396 1.00 0.00 C ATOM 150 O GLY A 11 14.895 -7.797 8.506 1.00 0.00 O ATOM 0 H GLY A 11 14.980 -7.606 4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.866 -9.067 6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.546 -8.772 6.564 1.00 0.00 H new ATOM 154 N HIS A 12 15.138 -6.046 7.113 1.00 0.00 N ATOM 155 CA HIS A 12 14.737 -5.075 8.114 1.00 0.00 C ATOM 156 C HIS A 12 13.339 -4.542 7.794 1.00 0.00 C ATOM 157 O HIS A 12 12.797 -4.807 6.718 1.00 0.00 O ATOM 158 CB HIS A 12 15.798 -3.964 8.191 1.00 0.00 C ATOM 159 CG HIS A 12 15.273 -2.570 8.255 1.00 0.00 C ATOM 160 ND1 HIS A 12 15.054 -1.891 9.434 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.975 -1.712 7.264 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.644 -0.664 9.159 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.590 -0.529 7.847 1.00 0.00 N ATOM 0 H HIS A 12 15.373 -5.648 6.204 1.00 0.00 H new ATOM 0 HA HIS A 12 14.676 -5.540 9.098 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.418 -4.140 9.070 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.449 -4.048 7.320 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.028 -1.915 6.205 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.396 0.097 9.884 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.309 0.315 7.348 1.00 0.00 H new ATOM 172 N GLY A 13 12.751 -3.824 8.746 1.00 0.00 N ATOM 173 CA GLY A 13 11.407 -3.295 8.562 1.00 0.00 C ATOM 174 C GLY A 13 11.366 -2.051 7.698 1.00 0.00 C ATOM 175 O GLY A 13 12.379 -1.394 7.498 1.00 0.00 O ATOM 0 H GLY A 13 13.180 -3.598 9.643 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.780 -4.064 8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.977 -3.066 9.537 1.00 0.00 H new ATOM 179 N ILE A 14 10.186 -1.724 7.184 1.00 0.00 N ATOM 180 CA ILE A 14 10.026 -0.548 6.339 1.00 0.00 C ATOM 181 C ILE A 14 8.565 -0.349 5.950 1.00 0.00 C ATOM 182 O ILE A 14 7.859 -1.309 5.643 1.00 0.00 O ATOM 183 CB ILE A 14 10.899 -0.652 5.067 1.00 0.00 C ATOM 184 CG1 ILE A 14 11.046 0.716 4.400 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.323 -1.667 4.089 1.00 0.00 C ATOM 186 CD1 ILE A 14 12.267 1.480 4.861 1.00 0.00 C ATOM 0 H ILE A 14 9.329 -2.255 7.337 1.00 0.00 H new ATOM 0 HA ILE A 14 10.355 0.316 6.917 1.00 0.00 H new ATOM 0 HB ILE A 14 11.889 -0.997 5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.097 0.582 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 14 10.156 1.310 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.957 -1.720 3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.281 -2.647 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.318 -1.362 3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.310 2.441 4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.208 1.645 5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.164 0.905 4.631 1.00 0.00 H new ATOM 198 N ASP A 15 8.113 0.901 5.971 1.00 0.00 N ATOM 199 CA ASP A 15 6.732 1.216 5.627 1.00 0.00 C ATOM 200 C ASP A 15 6.663 2.240 4.498 1.00 0.00 C ATOM 201 O ASP A 15 7.278 3.305 4.572 1.00 0.00 O ATOM 202 CB ASP A 15 5.989 1.747 6.855 1.00 0.00 C ATOM 203 CG ASP A 15 4.531 2.052 6.567 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.262 2.847 5.642 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.659 1.498 7.267 1.00 0.00 O ATOM 0 H ASP A 15 8.682 1.710 6.222 1.00 0.00 H new ATOM 0 HA ASP A 15 6.255 0.298 5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.051 1.013 7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.482 2.652 7.211 1.00 0.00 H new ATOM 210 N LEU A 16 5.897 1.916 3.461 1.00 0.00 N ATOM 211 CA LEU A 16 5.729 2.814 2.322 1.00 0.00 C ATOM 212 C LEU A 16 4.671 3.865 2.652 1.00 0.00 C ATOM 213 O LEU A 16 3.550 3.526 3.030 1.00 0.00 O ATOM 214 CB LEU A 16 5.306 2.023 1.071 1.00 0.00 C ATOM 215 CG LEU A 16 6.380 1.761 -0.011 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.726 2.392 0.328 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.546 0.266 -0.237 1.00 0.00 C ATOM 0 H LEU A 16 5.383 1.039 3.385 1.00 0.00 H new ATOM 0 HA LEU A 16 6.680 3.306 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.918 1.059 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.479 2.556 0.601 1.00 0.00 H new ATOM 0 HG LEU A 16 6.027 2.235 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.440 2.175 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.608 3.471 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.094 1.981 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.305 0.096 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.854 -0.211 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.598 -0.160 -0.566 1.00 0.00 H new ATOM 229 N ASP A 17 5.030 5.139 2.522 1.00 0.00 N ATOM 230 CA ASP A 17 4.098 6.219 2.827 1.00 0.00 C ATOM 231 C ASP A 17 3.539 6.862 1.563 1.00 0.00 C ATOM 232 O ASP A 17 4.283 7.331 0.702 1.00 0.00 O ATOM 233 CB ASP A 17 4.773 7.280 3.693 1.00 0.00 C ATOM 234 CG ASP A 17 4.975 6.815 5.123 1.00 0.00 C ATOM 235 OD1 ASP A 17 4.130 6.042 5.621 1.00 0.00 O ATOM 236 OD2 ASP A 17 5.979 7.224 5.743 1.00 0.00 O ATOM 0 H ASP A 17 5.951 5.447 2.210 1.00 0.00 H new ATOM 0 HA ASP A 17 3.265 5.780 3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.738 7.540 3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.168 8.186 3.690 1.00 0.00 H new ATOM 241 N ILE A 18 2.214 6.878 1.470 1.00 0.00 N ATOM 242 CA ILE A 18 1.515 7.457 0.330 1.00 0.00 C ATOM 243 C ILE A 18 1.388 8.974 0.465 1.00 0.00 C ATOM 244 O ILE A 18 0.792 9.470 1.422 1.00 0.00 O ATOM 245 CB ILE A 18 0.108 6.852 0.207 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.205 5.332 0.109 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.630 7.426 -0.998 1.00 0.00 C ATOM 248 CD1 ILE A 18 -0.997 4.698 -0.546 1.00 0.00 C ATOM 0 H ILE A 18 1.595 6.490 2.182 1.00 0.00 H new ATOM 0 HA ILE A 18 2.100 7.230 -0.561 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.463 7.112 1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.099 5.068 -0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.326 4.917 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.623 6.981 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.723 8.506 -0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.072 7.201 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.863 3.617 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.892 4.933 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.106 5.085 -1.559 1.00 0.00 H new ATOM 260 N PRO A 19 1.948 9.740 -0.490 1.00 0.00 N ATOM 261 CA PRO A 19 1.888 11.205 -0.457 1.00 0.00 C ATOM 262 C PRO A 19 0.457 11.744 -0.475 1.00 0.00 C ATOM 263 O PRO A 19 -0.360 11.350 -1.306 1.00 0.00 O ATOM 264 CB PRO A 19 2.631 11.629 -1.731 1.00 0.00 C ATOM 265 CG PRO A 19 3.470 10.454 -2.099 1.00 0.00 C ATOM 266 CD PRO A 19 2.693 9.246 -1.665 1.00 0.00 C ATOM 0 HA PRO A 19 2.324 11.598 0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.933 11.881 -2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.245 12.512 -1.554 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.662 10.431 -3.172 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.439 10.495 -1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.023 8.893 -2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.349 8.414 -1.408 1.00 0.00 H new ATOM 274 N ASN A 20 0.177 12.664 0.444 1.00 0.00 N ATOM 275 CA ASN A 20 -1.140 13.299 0.554 1.00 0.00 C ATOM 276 C ASN A 20 -2.299 12.307 0.399 1.00 0.00 C ATOM 277 O ASN A 20 -3.077 12.395 -0.552 1.00 0.00 O ATOM 278 CB ASN A 20 -1.270 14.410 -0.490 1.00 0.00 C ATOM 279 CG ASN A 20 -2.086 15.584 0.014 1.00 0.00 C ATOM 280 OD1 ASN A 20 -1.593 16.710 0.093 1.00 0.00 O ATOM 281 ND2 ASN A 20 -3.343 15.327 0.359 1.00 0.00 N ATOM 0 H ASN A 20 0.853 12.992 1.134 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.207 13.714 1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.276 14.757 -0.773 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.735 14.007 -1.389 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.940 16.078 0.705 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.711 14.379 0.277 1.00 0.00 H new ATOM 288 N PHE A 21 -2.421 11.375 1.341 1.00 0.00 N ATOM 289 CA PHE A 21 -3.490 10.391 1.311 1.00 0.00 C ATOM 290 C PHE A 21 -4.002 10.109 2.722 1.00 0.00 C ATOM 291 O PHE A 21 -3.250 10.189 3.693 1.00 0.00 O ATOM 292 CB PHE A 21 -2.987 9.110 0.653 1.00 0.00 C ATOM 293 CG PHE A 21 -3.757 7.878 1.020 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.067 7.717 0.612 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.167 6.889 1.781 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.780 6.583 0.958 1.00 0.00 C ATOM 297 CE2 PHE A 21 -3.869 5.752 2.131 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.179 5.599 1.719 1.00 0.00 C ATOM 0 H PHE A 21 -1.788 11.284 2.136 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.321 10.786 0.727 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.021 9.235 -0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.941 8.964 0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.539 8.484 0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.144 7.006 2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.804 6.467 0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.395 4.985 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.732 4.712 1.991 1.00 0.00 H new ATOM 308 N GLN A 22 -5.285 9.780 2.828 1.00 0.00 N ATOM 309 CA GLN A 22 -5.896 9.488 4.120 1.00 0.00 C ATOM 310 C GLN A 22 -6.838 8.293 4.019 1.00 0.00 C ATOM 311 O GLN A 22 -7.834 8.334 3.297 1.00 0.00 O ATOM 312 CB GLN A 22 -6.657 10.710 4.637 1.00 0.00 C ATOM 313 CG GLN A 22 -5.799 11.655 5.462 1.00 0.00 C ATOM 314 CD GLN A 22 -5.298 12.840 4.659 1.00 0.00 C ATOM 315 OE1 GLN A 22 -5.029 12.724 3.464 1.00 0.00 O ATOM 316 NE2 GLN A 22 -5.169 13.987 5.316 1.00 0.00 N ATOM 0 H GLN A 22 -5.922 9.709 2.035 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.100 9.242 4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.072 11.255 3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.499 10.374 5.243 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.377 12.016 6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.947 11.108 5.865 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.404 14.036 6.307 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.835 14.819 4.829 1.00 0.00 H new ATOM 325 N MET A 23 -6.518 7.229 4.749 1.00 0.00 N ATOM 326 CA MET A 23 -7.336 6.023 4.742 1.00 0.00 C ATOM 327 C MET A 23 -8.508 6.156 5.709 1.00 0.00 C ATOM 328 O MET A 23 -8.452 5.672 6.840 1.00 0.00 O ATOM 329 CB MET A 23 -6.489 4.804 5.114 1.00 0.00 C ATOM 330 CG MET A 23 -7.196 3.479 4.883 1.00 0.00 C ATOM 331 SD MET A 23 -7.914 2.802 6.392 1.00 0.00 S ATOM 332 CE MET A 23 -9.659 3.064 6.084 1.00 0.00 C ATOM 0 H MET A 23 -5.698 7.178 5.353 1.00 0.00 H new ATOM 0 HA MET A 23 -7.731 5.888 3.735 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.568 4.821 4.532 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.204 4.876 6.164 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.982 3.616 4.141 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.488 2.761 4.468 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.104 3.586 6.931 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.783 3.664 5.182 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.153 2.102 5.951 1.00 0.00 H new ATOM 342 N THR A 24 -9.569 6.816 5.258 1.00 0.00 N ATOM 343 CA THR A 24 -10.756 7.014 6.082 1.00 0.00 C ATOM 344 C THR A 24 -11.971 6.335 5.457 1.00 0.00 C ATOM 345 O THR A 24 -11.850 5.616 4.465 1.00 0.00 O ATOM 346 CB THR A 24 -11.031 8.508 6.265 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.375 9.110 5.030 1.00 0.00 O ATOM 348 CG2 THR A 24 -9.851 9.267 6.833 1.00 0.00 C ATOM 0 H THR A 24 -9.631 7.224 4.325 1.00 0.00 H new ATOM 0 HA THR A 24 -10.571 6.563 7.057 1.00 0.00 H new ATOM 0 HB THR A 24 -11.856 8.566 6.975 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.549 10.064 5.168 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.112 10.320 6.938 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.592 8.859 7.810 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.998 9.170 6.161 1.00 0.00 H new ATOM 356 N ASP A 25 -13.141 6.568 6.044 1.00 0.00 N ATOM 357 CA ASP A 25 -14.378 5.978 5.544 1.00 0.00 C ATOM 358 C ASP A 25 -14.611 6.356 4.084 1.00 0.00 C ATOM 359 O ASP A 25 -15.211 5.596 3.324 1.00 0.00 O ATOM 360 CB ASP A 25 -15.565 6.433 6.396 1.00 0.00 C ATOM 361 CG ASP A 25 -15.595 5.758 7.753 1.00 0.00 C ATOM 362 OD1 ASP A 25 -15.956 4.564 7.815 1.00 0.00 O ATOM 363 OD2 ASP A 25 -15.256 6.422 8.754 1.00 0.00 O ATOM 0 H ASP A 25 -13.258 7.161 6.866 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.286 4.894 5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.518 7.514 6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.493 6.218 5.866 1.00 0.00 H new ATOM 368 N ASP A 26 -14.132 7.535 3.700 1.00 0.00 N ATOM 369 CA ASP A 26 -14.286 8.013 2.331 1.00 0.00 C ATOM 370 C ASP A 26 -13.629 7.056 1.340 1.00 0.00 C ATOM 371 O ASP A 26 -14.004 7.008 0.168 1.00 0.00 O ATOM 372 CB ASP A 26 -13.680 9.410 2.186 1.00 0.00 C ATOM 373 CG ASP A 26 -14.481 10.293 1.250 1.00 0.00 C ATOM 374 OD1 ASP A 26 -15.515 10.839 1.689 1.00 0.00 O ATOM 375 OD2 ASP A 26 -14.076 10.439 0.078 1.00 0.00 O ATOM 0 H ASP A 26 -13.634 8.176 4.317 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.352 8.060 2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.623 9.882 3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.659 9.323 1.814 1.00 0.00 H new ATOM 380 N ILE A 27 -12.648 6.294 1.816 1.00 0.00 N ATOM 381 CA ILE A 27 -11.943 5.343 0.978 1.00 0.00 C ATOM 382 C ILE A 27 -12.710 4.012 0.918 1.00 0.00 C ATOM 383 O ILE A 27 -13.058 3.454 1.957 1.00 0.00 O ATOM 384 CB ILE A 27 -10.520 5.103 1.523 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.725 6.412 1.523 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.795 4.042 0.707 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.695 7.109 0.179 1.00 0.00 C ATOM 0 H ILE A 27 -12.326 6.321 2.783 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.872 5.756 -0.028 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.604 4.742 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.155 7.087 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.702 6.205 1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.794 3.892 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.350 3.105 0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.721 4.368 -0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.114 8.028 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.237 6.453 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.713 7.349 -0.129 1.00 0.00 H new ATOM 399 N ASP A 28 -12.990 3.509 -0.291 1.00 0.00 N ATOM 400 CA ASP A 28 -13.728 2.263 -0.440 1.00 0.00 C ATOM 401 C ASP A 28 -12.850 1.144 -0.988 1.00 0.00 C ATOM 402 O ASP A 28 -12.919 0.012 -0.511 1.00 0.00 O ATOM 403 CB ASP A 28 -14.931 2.472 -1.361 1.00 0.00 C ATOM 404 CG ASP A 28 -16.235 2.049 -0.713 1.00 0.00 C ATOM 405 OD1 ASP A 28 -16.345 2.163 0.526 1.00 0.00 O ATOM 406 OD2 ASP A 28 -17.145 1.605 -1.444 1.00 0.00 O ATOM 0 H ASP A 28 -12.716 3.947 -1.170 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.070 1.965 0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.992 3.524 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.784 1.905 -2.280 1.00 0.00 H new ATOM 411 N GLU A 29 -12.037 1.442 -2.004 1.00 0.00 N ATOM 412 CA GLU A 29 -11.188 0.413 -2.593 1.00 0.00 C ATOM 413 C GLU A 29 -9.720 0.845 -2.660 1.00 0.00 C ATOM 414 O GLU A 29 -9.380 1.816 -3.335 1.00 0.00 O ATOM 415 CB GLU A 29 -11.701 0.059 -3.993 1.00 0.00 C ATOM 416 CG GLU A 29 -11.092 -1.206 -4.574 1.00 0.00 C ATOM 417 CD GLU A 29 -11.745 -1.618 -5.879 1.00 0.00 C ATOM 418 OE1 GLU A 29 -11.445 -0.991 -6.917 1.00 0.00 O ATOM 419 OE2 GLU A 29 -12.554 -2.569 -5.863 1.00 0.00 O ATOM 0 H GLU A 29 -11.951 2.367 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.236 -0.466 -1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.784 -0.057 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.494 0.891 -4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.026 -1.050 -4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.188 -2.017 -3.852 1.00 0.00 H new ATOM 426 N VAL A 30 -8.853 0.102 -1.966 1.00 0.00 N ATOM 427 CA VAL A 30 -7.418 0.391 -1.962 1.00 0.00 C ATOM 428 C VAL A 30 -6.638 -0.789 -2.526 1.00 0.00 C ATOM 429 O VAL A 30 -7.011 -1.941 -2.323 1.00 0.00 O ATOM 430 CB VAL A 30 -6.888 0.707 -0.543 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.484 1.294 -0.613 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.834 1.650 0.184 1.00 0.00 C ATOM 0 H VAL A 30 -9.121 -0.703 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.274 1.273 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.838 -0.225 0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.129 1.509 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.814 0.578 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.503 2.215 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.444 1.860 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.921 2.581 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.816 1.185 0.270 1.00 0.00 H new ATOM 442 N ARG A 31 -5.560 -0.503 -3.247 1.00 0.00 N ATOM 443 CA ARG A 31 -4.748 -1.559 -3.839 1.00 0.00 C ATOM 444 C ARG A 31 -3.274 -1.171 -3.922 1.00 0.00 C ATOM 445 O ARG A 31 -2.928 -0.087 -4.393 1.00 0.00 O ATOM 446 CB ARG A 31 -5.271 -1.906 -5.234 1.00 0.00 C ATOM 447 CG ARG A 31 -5.198 -0.749 -6.216 1.00 0.00 C ATOM 448 CD ARG A 31 -5.915 -1.077 -7.516 1.00 0.00 C ATOM 449 NE ARG A 31 -5.495 -2.366 -8.063 1.00 0.00 N ATOM 450 CZ ARG A 31 -6.069 -2.946 -9.113 1.00 0.00 C ATOM 451 NH1 ARG A 31 -7.084 -2.358 -9.734 1.00 0.00 N ATOM 452 NH2 ARG A 31 -5.627 -4.120 -9.545 1.00 0.00 N ATOM 0 H ARG A 31 -5.230 0.444 -3.435 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.825 -2.431 -3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.698 -2.744 -5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.306 -2.238 -5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.643 0.139 -5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.155 -0.512 -6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.991 -1.090 -7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.719 -0.292 -8.246 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.717 -2.848 -7.613 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.428 -1.456 -9.406 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.520 -2.809 -10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.847 -4.577 -9.072 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.067 -4.566 -10.350 1.00 0.00 H new ATOM 466 N TRP A 32 -2.413 -2.086 -3.486 1.00 0.00 N ATOM 467 CA TRP A 32 -0.969 -1.884 -3.529 1.00 0.00 C ATOM 468 C TRP A 32 -0.381 -2.777 -4.612 1.00 0.00 C ATOM 469 O TRP A 32 -0.031 -3.929 -4.354 1.00 0.00 O ATOM 470 CB TRP A 32 -0.329 -2.212 -2.173 1.00 0.00 C ATOM 471 CG TRP A 32 -0.433 -1.110 -1.157 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.471 -0.869 -0.299 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.552 -0.107 -0.884 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.193 0.228 0.482 1.00 0.00 N ATOM 475 CE2 TRP A 32 0.043 0.715 0.140 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.814 0.176 -1.410 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.755 1.802 0.646 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.520 1.254 -0.908 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.989 2.054 0.110 1.00 0.00 C ATOM 0 H TRP A 32 -2.695 -2.985 -3.095 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.761 -0.838 -3.753 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.800 -3.108 -1.769 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.724 -2.448 -2.329 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.377 -1.455 -0.243 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.806 0.616 1.199 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.232 -0.436 -2.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.348 2.422 1.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.497 1.482 -1.308 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.566 2.889 0.481 1.00 0.00 H new ATOM 490 N GLU A 33 -0.309 -2.258 -5.833 1.00 0.00 N ATOM 491 CA GLU A 33 0.197 -3.038 -6.956 1.00 0.00 C ATOM 492 C GLU A 33 1.658 -2.739 -7.261 1.00 0.00 C ATOM 493 O GLU A 33 2.126 -1.610 -7.113 1.00 0.00 O ATOM 494 CB GLU A 33 -0.652 -2.784 -8.203 1.00 0.00 C ATOM 495 CG GLU A 33 -2.124 -3.113 -8.012 1.00 0.00 C ATOM 496 CD GLU A 33 -2.912 -3.025 -9.305 1.00 0.00 C ATOM 497 OE1 GLU A 33 -3.423 -1.928 -9.615 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.019 -4.053 -10.006 1.00 0.00 O ATOM 0 H GLU A 33 -0.593 -1.307 -6.069 1.00 0.00 H new ATOM 0 HA GLU A 33 0.129 -4.087 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.556 -1.737 -8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.259 -3.379 -9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.218 -4.118 -7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.554 -2.428 -7.281 1.00 0.00 H new ATOM 505 N ARG A 34 2.362 -3.771 -7.710 1.00 0.00 N ATOM 506 CA ARG A 34 3.767 -3.662 -8.072 1.00 0.00 C ATOM 507 C ARG A 34 4.027 -4.472 -9.335 1.00 0.00 C ATOM 508 O ARG A 34 3.842 -5.691 -9.349 1.00 0.00 O ATOM 509 CB ARG A 34 4.656 -4.161 -6.931 1.00 0.00 C ATOM 510 CG ARG A 34 6.059 -3.575 -6.953 1.00 0.00 C ATOM 511 CD ARG A 34 7.092 -4.586 -6.483 1.00 0.00 C ATOM 512 NE ARG A 34 8.335 -4.494 -7.245 1.00 0.00 N ATOM 513 CZ ARG A 34 8.499 -5.011 -8.461 1.00 0.00 C ATOM 514 NH1 ARG A 34 7.502 -5.657 -9.055 1.00 0.00 N ATOM 515 NH2 ARG A 34 9.661 -4.881 -9.086 1.00 0.00 N ATOM 0 H ARG A 34 1.974 -4.706 -7.833 1.00 0.00 H new ATOM 0 HA ARG A 34 4.007 -2.615 -8.257 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.184 -3.916 -5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.724 -5.248 -6.983 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.302 -3.248 -7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.096 -2.692 -6.315 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.302 -4.424 -5.426 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.683 -5.592 -6.577 1.00 0.00 H new ATOM 0 HE ARG A 34 9.123 -4.005 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.605 -5.759 -8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.633 -6.051 -9.987 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.430 -4.385 -8.635 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.786 -5.277 -10.018 1.00 0.00 H new ATOM 529 N GLY A 35 4.430 -3.794 -10.405 1.00 0.00 N ATOM 530 CA GLY A 35 4.676 -4.485 -11.655 1.00 0.00 C ATOM 531 C GLY A 35 3.446 -5.223 -12.136 1.00 0.00 C ATOM 532 O GLY A 35 2.427 -4.612 -12.454 1.00 0.00 O ATOM 0 H GLY A 35 4.589 -2.787 -10.428 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.989 -3.767 -12.413 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.497 -5.190 -11.526 1.00 0.00 H new ATOM 536 N SER A 36 3.542 -6.541 -12.173 1.00 0.00 N ATOM 537 CA SER A 36 2.429 -7.380 -12.602 1.00 0.00 C ATOM 538 C SER A 36 1.998 -8.319 -11.478 1.00 0.00 C ATOM 539 O SER A 36 1.776 -9.509 -11.701 1.00 0.00 O ATOM 540 CB SER A 36 2.819 -8.188 -13.840 1.00 0.00 C ATOM 541 OG SER A 36 3.238 -7.339 -14.894 1.00 0.00 O ATOM 0 H SER A 36 4.381 -7.058 -11.911 1.00 0.00 H new ATOM 0 HA SER A 36 1.590 -6.732 -12.854 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.621 -8.881 -13.587 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.970 -8.788 -14.168 1.00 0.00 H new ATOM 0 HG SER A 36 3.483 -7.881 -15.673 1.00 0.00 H new ATOM 547 N THR A 37 1.891 -7.779 -10.264 1.00 0.00 N ATOM 548 CA THR A 37 1.497 -8.577 -9.107 1.00 0.00 C ATOM 549 C THR A 37 0.845 -7.710 -8.031 1.00 0.00 C ATOM 550 O THR A 37 1.034 -6.493 -8.002 1.00 0.00 O ATOM 551 CB THR A 37 2.728 -9.283 -8.530 1.00 0.00 C ATOM 552 OG1 THR A 37 3.304 -10.149 -9.490 1.00 0.00 O ATOM 553 CG2 THR A 37 2.438 -10.103 -7.289 1.00 0.00 C ATOM 0 H THR A 37 2.071 -6.796 -10.058 1.00 0.00 H new ATOM 0 HA THR A 37 0.765 -9.316 -9.433 1.00 0.00 H new ATOM 0 HB THR A 37 3.411 -8.479 -8.256 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.090 -10.589 -9.104 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.358 -10.572 -6.940 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.042 -9.454 -6.508 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.705 -10.874 -7.526 1.00 0.00 H new ATOM 561 N LEU A 38 0.101 -8.349 -7.129 1.00 0.00 N ATOM 562 CA LEU A 38 -0.550 -7.635 -6.030 1.00 0.00 C ATOM 563 C LEU A 38 0.239 -7.852 -4.751 1.00 0.00 C ATOM 564 O LEU A 38 0.845 -8.905 -4.558 1.00 0.00 O ATOM 565 CB LEU A 38 -1.991 -8.112 -5.810 1.00 0.00 C ATOM 566 CG LEU A 38 -3.095 -7.250 -6.434 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.378 -8.056 -6.525 1.00 0.00 C ATOM 568 CD2 LEU A 38 -3.314 -5.991 -5.607 1.00 0.00 C ATOM 0 H LEU A 38 -0.066 -9.355 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.578 -6.578 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.081 -9.123 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.171 -8.174 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.792 -6.950 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.162 -7.443 -6.969 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.211 -8.937 -7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.683 -8.368 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.100 -5.389 -6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.608 -6.267 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.390 -5.414 -5.571 1.00 0.00 H new ATOM 580 N VAL A 39 0.227 -6.860 -3.882 1.00 0.00 N ATOM 581 CA VAL A 39 0.941 -6.957 -2.624 1.00 0.00 C ATOM 582 C VAL A 39 -0.020 -6.830 -1.446 1.00 0.00 C ATOM 583 O VAL A 39 0.094 -7.556 -0.456 1.00 0.00 O ATOM 584 CB VAL A 39 2.041 -5.878 -2.530 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.582 -5.773 -1.114 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.165 -6.183 -3.516 1.00 0.00 C ATOM 0 H VAL A 39 -0.268 -5.980 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 39 1.415 -7.938 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 39 1.600 -4.916 -2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.355 -5.006 -1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.773 -5.507 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.007 -6.731 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.934 -5.415 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.599 -7.155 -3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.766 -6.197 -4.530 1.00 0.00 H new ATOM 596 N ALA A 40 -0.969 -5.909 -1.563 1.00 0.00 N ATOM 597 CA ALA A 40 -1.949 -5.691 -0.506 1.00 0.00 C ATOM 598 C ALA A 40 -3.035 -4.709 -0.931 1.00 0.00 C ATOM 599 O ALA A 40 -2.768 -3.528 -1.143 1.00 0.00 O ATOM 600 CB ALA A 40 -1.260 -5.183 0.749 1.00 0.00 C ATOM 0 H ALA A 40 -1.081 -5.303 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.427 -6.649 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.001 -5.024 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.529 -5.918 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.754 -4.242 0.531 1.00 0.00 H new ATOM 606 N GLU A 41 -4.265 -5.197 -1.041 1.00 0.00 N ATOM 607 CA GLU A 41 -5.381 -4.348 -1.425 1.00 0.00 C ATOM 608 C GLU A 41 -6.531 -4.484 -0.431 1.00 0.00 C ATOM 609 O GLU A 41 -6.672 -5.503 0.245 1.00 0.00 O ATOM 610 CB GLU A 41 -5.848 -4.690 -2.843 1.00 0.00 C ATOM 611 CG GLU A 41 -6.899 -5.785 -2.896 1.00 0.00 C ATOM 612 CD GLU A 41 -6.634 -6.797 -3.994 1.00 0.00 C ATOM 613 OE1 GLU A 41 -5.461 -7.189 -4.168 1.00 0.00 O ATOM 614 OE2 GLU A 41 -7.599 -7.197 -4.678 1.00 0.00 O ATOM 0 H GLU A 41 -4.512 -6.172 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.045 -3.311 -1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.250 -3.791 -3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.986 -4.998 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.932 -6.298 -1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.880 -5.335 -3.051 1.00 0.00 H new ATOM 621 N PHE A 42 -7.344 -3.444 -0.353 1.00 0.00 N ATOM 622 CA PHE A 42 -8.483 -3.414 0.543 1.00 0.00 C ATOM 623 C PHE A 42 -9.786 -3.289 -0.240 1.00 0.00 C ATOM 624 O PHE A 42 -9.802 -2.792 -1.367 1.00 0.00 O ATOM 625 CB PHE A 42 -8.340 -2.238 1.505 1.00 0.00 C ATOM 626 CG PHE A 42 -9.550 -2.004 2.362 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.738 -2.712 3.538 1.00 0.00 C ATOM 628 CD2 PHE A 42 -10.502 -1.073 1.983 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.857 -2.494 4.320 1.00 0.00 C ATOM 630 CE2 PHE A 42 -11.621 -0.850 2.759 1.00 0.00 C ATOM 631 CZ PHE A 42 -11.800 -1.561 3.930 1.00 0.00 C ATOM 0 H PHE A 42 -7.231 -2.597 -0.910 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.511 -4.347 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.478 -2.411 2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.133 -1.335 0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.003 -3.441 3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.367 -0.514 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.994 -3.052 5.235 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.356 -0.121 2.451 1.00 0.00 H new ATOM 0 HZ PHE A 42 -12.675 -1.388 4.540 1.00 0.00 H new ATOM 641 N LYS A 43 -10.875 -3.734 0.371 1.00 0.00 N ATOM 642 CA LYS A 43 -12.188 -3.668 -0.255 1.00 0.00 C ATOM 643 C LYS A 43 -13.276 -3.570 0.806 1.00 0.00 C ATOM 644 O LYS A 43 -13.420 -4.460 1.642 1.00 0.00 O ATOM 645 CB LYS A 43 -12.422 -4.898 -1.134 1.00 0.00 C ATOM 646 CG LYS A 43 -13.325 -4.632 -2.327 1.00 0.00 C ATOM 647 CD LYS A 43 -13.792 -5.927 -2.972 1.00 0.00 C ATOM 648 CE LYS A 43 -13.841 -5.807 -4.487 1.00 0.00 C ATOM 649 NZ LYS A 43 -13.610 -7.117 -5.155 1.00 0.00 N ATOM 0 H LYS A 43 -10.875 -4.146 1.304 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.227 -2.777 -0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.461 -5.266 -1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.861 -5.690 -0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.190 -4.051 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.791 -4.030 -3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.120 -6.738 -2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.781 -6.187 -2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.811 -5.412 -4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.088 -5.092 -4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.651 -6.993 -6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.674 -7.483 -4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.343 -7.792 -4.858 1.00 0.00 H new ATOM 663 N ARG A 44 -14.038 -2.479 0.775 1.00 0.00 N ATOM 664 CA ARG A 44 -15.107 -2.269 1.747 1.00 0.00 C ATOM 665 C ARG A 44 -15.991 -3.500 1.880 1.00 0.00 C ATOM 666 O ARG A 44 -16.601 -3.740 2.921 1.00 0.00 O ATOM 667 CB ARG A 44 -15.940 -1.038 1.375 1.00 0.00 C ATOM 668 CG ARG A 44 -17.147 -0.815 2.275 1.00 0.00 C ATOM 669 CD ARG A 44 -17.053 0.504 3.027 1.00 0.00 C ATOM 670 NE ARG A 44 -15.716 0.730 3.574 1.00 0.00 N ATOM 671 CZ ARG A 44 -15.270 0.171 4.696 1.00 0.00 C ATOM 672 NH1 ARG A 44 -16.048 -0.648 5.393 1.00 0.00 N ATOM 673 NH2 ARG A 44 -14.042 0.431 5.122 1.00 0.00 N ATOM 0 H ARG A 44 -13.936 -1.730 0.090 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.643 -2.092 2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.302 -0.155 1.414 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.281 -1.140 0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -18.056 -0.827 1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -17.226 -1.636 2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -17.313 1.323 2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -17.782 0.512 3.837 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.088 1.353 3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.994 -0.852 5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.700 -1.073 6.252 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.440 1.059 4.590 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.699 0.003 5.982 1.00 0.00 H new ATOM 687 N LYS A 45 -16.028 -4.287 0.831 1.00 0.00 N ATOM 688 CA LYS A 45 -16.815 -5.515 0.814 1.00 0.00 C ATOM 689 C LYS A 45 -16.113 -6.630 1.589 1.00 0.00 C ATOM 690 O LYS A 45 -16.297 -7.811 1.295 1.00 0.00 O ATOM 691 CB LYS A 45 -17.067 -5.962 -0.627 1.00 0.00 C ATOM 692 CG LYS A 45 -18.186 -5.196 -1.315 1.00 0.00 C ATOM 693 CD LYS A 45 -18.959 -6.084 -2.277 1.00 0.00 C ATOM 694 CE LYS A 45 -20.445 -5.768 -2.254 1.00 0.00 C ATOM 695 NZ LYS A 45 -21.147 -6.312 -3.449 1.00 0.00 N ATOM 0 H LYS A 45 -15.520 -4.103 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 45 -17.769 -5.309 1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.149 -5.842 -1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.309 -7.025 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -18.866 -4.791 -0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.768 -4.348 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.573 -5.950 -3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.804 -7.130 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -20.891 -6.184 -1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.586 -4.688 -2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.158 -6.075 -3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.739 -5.896 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.035 -7.346 -3.477 1.00 0.00 H new ATOM 709 N MET A 46 -15.317 -6.246 2.588 1.00 0.00 N ATOM 710 CA MET A 46 -14.590 -7.216 3.416 1.00 0.00 C ATOM 711 C MET A 46 -13.784 -8.196 2.562 1.00 0.00 C ATOM 712 O MET A 46 -13.935 -8.252 1.342 1.00 0.00 O ATOM 713 CB MET A 46 -15.574 -7.989 4.297 1.00 0.00 C ATOM 714 CG MET A 46 -14.937 -8.594 5.537 1.00 0.00 C ATOM 715 SD MET A 46 -16.130 -8.891 6.855 1.00 0.00 S ATOM 716 CE MET A 46 -15.277 -8.168 8.254 1.00 0.00 C ATOM 0 H MET A 46 -15.158 -5.272 2.845 1.00 0.00 H new ATOM 0 HA MET A 46 -13.891 -6.661 4.041 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.378 -7.320 4.602 1.00 0.00 H new ATOM 0 HB3 MET A 46 -16.028 -8.785 3.707 1.00 0.00 H new ATOM 0 HG2 MET A 46 -14.454 -9.534 5.271 1.00 0.00 H new ATOM 0 HG3 MET A 46 -14.156 -7.927 5.902 1.00 0.00 H new ATOM 0 HE1 MET A 46 -15.891 -8.274 9.149 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.326 -8.679 8.404 1.00 0.00 H new ATOM 0 HE3 MET A 46 -15.094 -7.111 8.062 1.00 0.00 H new ATOM 726 N LYS A 47 -12.932 -8.976 3.223 1.00 0.00 N ATOM 727 CA LYS A 47 -12.104 -9.970 2.542 1.00 0.00 C ATOM 728 C LYS A 47 -11.138 -9.325 1.546 1.00 0.00 C ATOM 729 O LYS A 47 -11.371 -9.355 0.338 1.00 0.00 O ATOM 730 CB LYS A 47 -12.992 -10.987 1.821 1.00 0.00 C ATOM 731 CG LYS A 47 -13.171 -12.287 2.586 1.00 0.00 C ATOM 732 CD LYS A 47 -13.277 -13.476 1.644 1.00 0.00 C ATOM 733 CE LYS A 47 -11.923 -14.126 1.412 1.00 0.00 C ATOM 734 NZ LYS A 47 -12.028 -15.606 1.301 1.00 0.00 N ATOM 0 H LYS A 47 -12.796 -8.939 4.233 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.508 -10.476 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.971 -10.541 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.560 -11.206 0.844 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.329 -12.431 3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.068 -12.228 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.968 -14.210 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.693 -13.150 0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.479 -13.725 0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.253 -13.870 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.083 -16.010 1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.428 -15.993 2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.647 -15.851 0.502 1.00 0.00 H new ATOM 748 N PRO A 48 -10.029 -8.746 2.041 1.00 0.00 N ATOM 749 CA PRO A 48 -9.024 -8.114 1.190 1.00 0.00 C ATOM 750 C PRO A 48 -8.038 -9.132 0.619 1.00 0.00 C ATOM 751 O PRO A 48 -8.274 -10.337 0.690 1.00 0.00 O ATOM 752 CB PRO A 48 -8.321 -7.160 2.151 1.00 0.00 C ATOM 753 CG PRO A 48 -8.411 -7.827 3.483 1.00 0.00 C ATOM 754 CD PRO A 48 -9.662 -8.674 3.467 1.00 0.00 C ATOM 0 HA PRO A 48 -9.458 -7.622 0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.283 -6.998 1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.805 -6.183 2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.530 -8.443 3.667 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.456 -7.088 4.283 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -9.478 -9.665 3.882 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.457 -8.223 4.061 1.00 0.00 H new ATOM 762 N PHE A 49 -6.934 -8.646 0.056 1.00 0.00 N ATOM 763 CA PHE A 49 -5.925 -9.533 -0.520 1.00 0.00 C ATOM 764 C PHE A 49 -4.535 -9.224 0.026 1.00 0.00 C ATOM 765 O PHE A 49 -3.954 -8.185 -0.282 1.00 0.00 O ATOM 766 CB PHE A 49 -5.907 -9.418 -2.046 1.00 0.00 C ATOM 767 CG PHE A 49 -4.789 -10.197 -2.690 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.908 -11.562 -2.891 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.618 -9.565 -3.085 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.881 -12.283 -3.473 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.591 -10.280 -3.668 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.721 -11.641 -3.861 1.00 0.00 C ATOM 0 H PHE A 49 -6.716 -7.652 -0.014 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.193 -10.551 -0.238 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.860 -9.770 -2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.815 -8.368 -2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.813 -12.069 -2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.509 -8.501 -2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.986 -13.347 -3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.686 -9.775 -3.973 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.917 -12.202 -4.314 1.00 0.00 H new ATOM 782 N LEU A 50 -4.001 -10.144 0.820 1.00 0.00 N ATOM 783 CA LEU A 50 -2.678 -9.988 1.389 1.00 0.00 C ATOM 784 C LEU A 50 -1.698 -10.935 0.700 1.00 0.00 C ATOM 785 O LEU A 50 -1.803 -12.153 0.839 1.00 0.00 O ATOM 786 CB LEU A 50 -2.723 -10.278 2.890 1.00 0.00 C ATOM 787 CG LEU A 50 -2.921 -9.055 3.785 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.828 -9.445 5.250 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.901 -7.980 3.449 1.00 0.00 C ATOM 0 H LEU A 50 -4.472 -11.010 1.083 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.342 -8.963 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.531 -10.984 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.794 -10.771 3.176 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.917 -8.651 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.971 -8.561 5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.599 -10.180 5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.846 -9.874 5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.056 -7.116 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.895 -8.372 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.019 -7.680 2.408 1.00 0.00 H new ATOM 801 N LYS A 51 -0.751 -10.375 -0.053 1.00 0.00 N ATOM 802 CA LYS A 51 0.233 -11.184 -0.770 1.00 0.00 C ATOM 803 C LYS A 51 0.829 -12.266 0.129 1.00 0.00 C ATOM 804 O LYS A 51 1.020 -13.404 -0.300 1.00 0.00 O ATOM 805 CB LYS A 51 1.347 -10.296 -1.325 1.00 0.00 C ATOM 806 CG LYS A 51 2.437 -11.065 -2.054 1.00 0.00 C ATOM 807 CD LYS A 51 3.561 -10.145 -2.506 1.00 0.00 C ATOM 808 CE LYS A 51 3.393 -9.733 -3.960 1.00 0.00 C ATOM 809 NZ LYS A 51 4.682 -9.781 -4.703 1.00 0.00 N ATOM 0 H LYS A 51 -0.645 -9.369 -0.182 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.281 -11.676 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.911 -9.566 -2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.796 -9.737 -0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.839 -11.838 -1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.010 -11.572 -2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.581 -9.256 -1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.519 -10.649 -2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.671 -10.392 -4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.985 -8.723 -4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.562 -9.336 -5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.411 -9.270 -4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.974 -10.771 -4.828 1.00 0.00 H new ATOM 823 N SER A 52 1.119 -11.907 1.375 1.00 0.00 N ATOM 824 CA SER A 52 1.691 -12.854 2.325 1.00 0.00 C ATOM 825 C SER A 52 1.863 -12.220 3.701 1.00 0.00 C ATOM 826 O SER A 52 1.806 -10.999 3.847 1.00 0.00 O ATOM 827 CB SER A 52 3.040 -13.366 1.816 1.00 0.00 C ATOM 828 OG SER A 52 3.887 -12.292 1.447 1.00 0.00 O ATOM 0 H SER A 52 0.968 -10.970 1.750 1.00 0.00 H new ATOM 0 HA SER A 52 1.000 -13.692 2.419 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.521 -13.963 2.590 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.884 -14.021 0.959 1.00 0.00 H new ATOM 0 HG SER A 52 4.743 -12.646 1.127 1.00 0.00 H new ATOM 834 N GLY A 53 2.067 -13.063 4.710 1.00 0.00 N ATOM 835 CA GLY A 53 2.238 -12.568 6.073 1.00 0.00 C ATOM 836 C GLY A 53 3.370 -11.554 6.204 1.00 0.00 C ATOM 837 O GLY A 53 3.489 -10.895 7.236 1.00 0.00 O ATOM 0 H GLY A 53 2.117 -14.077 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.307 -12.109 6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.434 -13.410 6.737 1.00 0.00 H new ATOM 841 N ALA A 54 4.210 -11.421 5.168 1.00 0.00 N ATOM 842 CA ALA A 54 5.324 -10.479 5.214 1.00 0.00 C ATOM 843 C ALA A 54 4.860 -9.032 5.048 1.00 0.00 C ATOM 844 O ALA A 54 5.675 -8.110 5.050 1.00 0.00 O ATOM 845 CB ALA A 54 6.352 -10.827 4.148 1.00 0.00 C ATOM 0 H ALA A 54 4.136 -11.950 4.299 1.00 0.00 H new ATOM 0 HA ALA A 54 5.782 -10.564 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.178 -10.117 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.730 -11.834 4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.886 -10.780 3.164 1.00 0.00 H new ATOM 851 N PHE A 55 3.553 -8.835 4.912 1.00 0.00 N ATOM 852 CA PHE A 55 2.999 -7.496 4.752 1.00 0.00 C ATOM 853 C PHE A 55 1.823 -7.272 5.692 1.00 0.00 C ATOM 854 O PHE A 55 1.174 -8.219 6.135 1.00 0.00 O ATOM 855 CB PHE A 55 2.545 -7.265 3.311 1.00 0.00 C ATOM 856 CG PHE A 55 3.619 -7.497 2.291 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.623 -6.563 2.112 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.623 -8.640 1.509 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.615 -6.761 1.172 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.610 -8.845 0.564 1.00 0.00 C ATOM 861 CZ PHE A 55 5.608 -7.905 0.396 1.00 0.00 C ATOM 0 H PHE A 55 2.860 -9.583 4.909 1.00 0.00 H new ATOM 0 HA PHE A 55 3.788 -6.786 4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.704 -7.924 3.095 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.181 -6.242 3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.631 -5.667 2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.846 -9.379 1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.394 -6.024 1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.601 -9.739 -0.042 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.382 -8.064 -0.341 1.00 0.00 H new ATOM 871 N GLU A 56 1.550 -6.006 5.977 1.00 0.00 N ATOM 872 CA GLU A 56 0.447 -5.634 6.850 1.00 0.00 C ATOM 873 C GLU A 56 -0.081 -4.255 6.473 1.00 0.00 C ATOM 874 O GLU A 56 0.655 -3.267 6.509 1.00 0.00 O ATOM 875 CB GLU A 56 0.895 -5.643 8.313 1.00 0.00 C ATOM 876 CG GLU A 56 0.692 -6.983 9.002 1.00 0.00 C ATOM 877 CD GLU A 56 -0.525 -6.994 9.908 1.00 0.00 C ATOM 878 OE1 GLU A 56 -0.524 -6.250 10.910 1.00 0.00 O ATOM 879 OE2 GLU A 56 -1.477 -7.746 9.613 1.00 0.00 O ATOM 0 H GLU A 56 2.082 -5.215 5.613 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.353 -6.364 6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.950 -5.374 8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.344 -4.876 8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.586 -7.763 8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.579 -7.224 9.588 1.00 0.00 H new ATOM 886 N ILE A 57 -1.354 -4.195 6.100 1.00 0.00 N ATOM 887 CA ILE A 57 -1.970 -2.933 5.709 1.00 0.00 C ATOM 888 C ILE A 57 -2.297 -2.076 6.929 1.00 0.00 C ATOM 889 O ILE A 57 -3.305 -2.286 7.605 1.00 0.00 O ATOM 890 CB ILE A 57 -3.249 -3.155 4.873 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.761 -1.820 4.330 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.327 -3.853 5.694 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.519 -1.948 3.026 1.00 0.00 C ATOM 0 H ILE A 57 -1.977 -5.001 6.060 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.242 -2.407 5.091 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.001 -3.803 4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.410 -1.359 5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.915 -1.148 4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.216 -3.996 5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.958 -4.822 6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.579 -3.240 6.560 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.852 -0.963 2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.867 -2.380 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.385 -2.594 3.170 1.00 0.00 H new ATOM 905 N LEU A 58 -1.428 -1.110 7.208 1.00 0.00 N ATOM 906 CA LEU A 58 -1.609 -0.214 8.345 1.00 0.00 C ATOM 907 C LEU A 58 -2.989 0.440 8.321 1.00 0.00 C ATOM 908 O LEU A 58 -3.668 0.443 7.295 1.00 0.00 O ATOM 909 CB LEU A 58 -0.516 0.858 8.341 1.00 0.00 C ATOM 910 CG LEU A 58 0.425 0.838 9.547 1.00 0.00 C ATOM 911 CD1 LEU A 58 0.911 -0.577 9.828 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.602 1.770 9.310 1.00 0.00 C ATOM 0 H LEU A 58 -0.588 -0.927 6.660 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.534 -0.803 9.259 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.079 0.743 7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.991 1.838 8.288 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.125 1.187 10.421 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.579 -0.568 10.689 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.056 -1.220 10.038 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.446 -0.957 8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.264 1.747 10.175 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.150 1.446 8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.237 2.786 9.159 1.00 0.00 H new ATOM 924 N ALA A 59 -3.395 0.989 9.461 1.00 0.00 N ATOM 925 CA ALA A 59 -4.694 1.646 9.578 1.00 0.00 C ATOM 926 C ALA A 59 -4.756 2.912 8.728 1.00 0.00 C ATOM 927 O ALA A 59 -5.840 3.380 8.376 1.00 0.00 O ATOM 928 CB ALA A 59 -4.990 1.970 11.034 1.00 0.00 C ATOM 0 H ALA A 59 -2.843 0.992 10.319 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.453 0.958 9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.961 2.460 11.108 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.003 1.049 11.616 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.218 2.634 11.423 1.00 0.00 H new ATOM 934 N ASN A 60 -3.591 3.466 8.402 1.00 0.00 N ATOM 935 CA ASN A 60 -3.523 4.680 7.594 1.00 0.00 C ATOM 936 C ASN A 60 -3.314 4.348 6.119 1.00 0.00 C ATOM 937 O ASN A 60 -2.706 5.121 5.379 1.00 0.00 O ATOM 938 CB ASN A 60 -2.401 5.601 8.091 1.00 0.00 C ATOM 939 CG ASN A 60 -1.137 4.847 8.460 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.212 4.730 7.656 1.00 0.00 O ATOM 941 ND2 ASN A 60 -1.090 4.334 9.684 1.00 0.00 N ATOM 0 H ASN A 60 -2.684 3.095 8.684 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.475 5.200 7.697 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.169 6.332 7.317 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.753 6.157 8.960 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.264 3.819 9.990 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.880 4.455 10.318 1.00 0.00 H new ATOM 948 N GLY A 61 -3.829 3.196 5.697 1.00 0.00 N ATOM 949 CA GLY A 61 -3.698 2.784 4.310 1.00 0.00 C ATOM 950 C GLY A 61 -2.255 2.728 3.841 1.00 0.00 C ATOM 951 O GLY A 61 -1.961 3.046 2.689 1.00 0.00 O ATOM 0 H GLY A 61 -4.335 2.540 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.153 1.802 4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.253 3.476 3.677 1.00 0.00 H new ATOM 955 N ASP A 62 -1.355 2.318 4.730 1.00 0.00 N ATOM 956 CA ASP A 62 0.061 2.221 4.387 1.00 0.00 C ATOM 957 C ASP A 62 0.516 0.764 4.352 1.00 0.00 C ATOM 958 O ASP A 62 -0.102 -0.105 4.968 1.00 0.00 O ATOM 959 CB ASP A 62 0.911 3.017 5.381 1.00 0.00 C ATOM 960 CG ASP A 62 1.192 4.426 4.896 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.407 4.602 3.679 1.00 0.00 O ATOM 962 OD2 ASP A 62 1.196 5.353 5.733 1.00 0.00 O ATOM 0 H ASP A 62 -1.579 2.049 5.688 1.00 0.00 H new ATOM 0 HA ASP A 62 0.196 2.646 3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.398 3.061 6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.854 2.497 5.547 1.00 0.00 H new ATOM 967 N LEU A 63 1.600 0.505 3.626 1.00 0.00 N ATOM 968 CA LEU A 63 2.140 -0.856 3.509 1.00 0.00 C ATOM 969 C LEU A 63 3.216 -1.102 4.562 1.00 0.00 C ATOM 970 O LEU A 63 4.221 -0.394 4.608 1.00 0.00 O ATOM 971 CB LEU A 63 2.736 -1.065 2.115 1.00 0.00 C ATOM 972 CG LEU A 63 3.023 -2.518 1.738 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.756 -3.211 1.262 1.00 0.00 C ATOM 974 CD2 LEU A 63 4.098 -2.579 0.666 1.00 0.00 C ATOM 0 H LEU A 63 2.123 1.213 3.110 1.00 0.00 H new ATOM 0 HA LEU A 63 1.324 -1.561 3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.051 -0.644 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.665 -0.499 2.047 1.00 0.00 H new ATOM 0 HG LEU A 63 3.383 -3.040 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.983 -4.244 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.011 -3.195 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.364 -2.692 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.294 -3.619 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.760 -2.041 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.013 -2.121 1.042 1.00 0.00 H new ATOM 986 N LYS A 64 3.006 -2.109 5.407 1.00 0.00 N ATOM 987 CA LYS A 64 3.970 -2.435 6.450 1.00 0.00 C ATOM 988 C LYS A 64 4.727 -3.715 6.112 1.00 0.00 C ATOM 989 O LYS A 64 4.175 -4.814 6.185 1.00 0.00 O ATOM 990 CB LYS A 64 3.264 -2.585 7.800 1.00 0.00 C ATOM 991 CG LYS A 64 4.207 -2.909 8.947 1.00 0.00 C ATOM 992 CD LYS A 64 4.457 -1.694 9.828 1.00 0.00 C ATOM 993 CE LYS A 64 4.481 -2.068 11.300 1.00 0.00 C ATOM 994 NZ LYS A 64 5.869 -2.282 11.796 1.00 0.00 N ATOM 0 H LYS A 64 2.181 -2.709 5.389 1.00 0.00 H new ATOM 0 HA LYS A 64 4.688 -1.617 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.733 -1.661 8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.515 -3.373 7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.786 -3.715 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.155 -3.271 8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.406 -1.233 9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.679 -0.951 9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.005 -1.280 11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.897 -2.975 11.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.842 -2.535 12.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.315 -3.052 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.420 -1.409 11.673 1.00 0.00 H new ATOM 1008 N ILE A 65 5.997 -3.564 5.746 1.00 0.00 N ATOM 1009 CA ILE A 65 6.839 -4.705 5.401 1.00 0.00 C ATOM 1010 C ILE A 65 7.506 -5.274 6.653 1.00 0.00 C ATOM 1011 O ILE A 65 7.988 -4.525 7.503 1.00 0.00 O ATOM 1012 CB ILE A 65 7.925 -4.314 4.377 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.364 -3.313 3.357 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.467 -5.557 3.682 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.323 -2.985 2.229 1.00 0.00 C ATOM 0 H ILE A 65 6.466 -2.661 5.681 1.00 0.00 H new ATOM 0 HA ILE A 65 6.196 -5.462 4.953 1.00 0.00 H new ATOM 0 HB ILE A 65 8.749 -3.833 4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.445 -3.717 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.098 -2.391 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.232 -5.267 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.902 -6.228 4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.655 -6.067 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.856 -2.272 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.234 -2.550 2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.570 -3.897 1.685 1.00 0.00 H new ATOM 1027 N LYS A 66 7.520 -6.600 6.771 1.00 0.00 N ATOM 1028 CA LYS A 66 8.113 -7.258 7.935 1.00 0.00 C ATOM 1029 C LYS A 66 9.612 -7.470 7.760 1.00 0.00 C ATOM 1030 O LYS A 66 10.400 -7.200 8.667 1.00 0.00 O ATOM 1031 CB LYS A 66 7.425 -8.599 8.193 1.00 0.00 C ATOM 1032 CG LYS A 66 7.946 -9.323 9.424 1.00 0.00 C ATOM 1033 CD LYS A 66 7.232 -10.647 9.636 1.00 0.00 C ATOM 1034 CE LYS A 66 7.944 -11.506 10.669 1.00 0.00 C ATOM 1035 NZ LYS A 66 8.939 -12.420 10.042 1.00 0.00 N ATOM 0 H LYS A 66 7.129 -7.239 6.078 1.00 0.00 H new ATOM 0 HA LYS A 66 7.965 -6.603 8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.354 -8.433 8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.558 -9.240 7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.016 -9.499 9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.812 -8.692 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.208 -10.461 9.960 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.175 -11.186 8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.447 -10.863 11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.210 -12.093 11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.402 -12.988 10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.456 -13.051 9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.655 -11.860 9.536 1.00 0.00 H new ATOM 1049 N ASN A 67 9.991 -7.957 6.594 1.00 0.00 N ATOM 1050 CA ASN A 67 11.391 -8.216 6.283 1.00 0.00 C ATOM 1051 C ASN A 67 11.671 -7.916 4.818 1.00 0.00 C ATOM 1052 O ASN A 67 11.193 -8.617 3.926 1.00 0.00 O ATOM 1053 CB ASN A 67 11.747 -9.671 6.603 1.00 0.00 C ATOM 1054 CG ASN A 67 12.720 -9.787 7.759 1.00 0.00 C ATOM 1055 OD1 ASN A 67 13.709 -10.662 7.614 1.00 0.00 O flip ATOM 1056 ND2 ASN A 67 12.586 -9.098 8.771 1.00 0.00 N flip ATOM 0 H ASN A 67 9.345 -8.184 5.838 1.00 0.00 H new ATOM 0 HA ASN A 67 12.010 -7.562 6.898 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.837 -10.221 6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.180 -10.139 5.719 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.811 -8.438 8.840 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.250 -9.187 9.540 1.00 0.00 H new ATOM 1063 N LEU A 68 12.439 -6.862 4.574 1.00 0.00 N ATOM 1064 CA LEU A 68 12.773 -6.457 3.219 1.00 0.00 C ATOM 1065 C LEU A 68 13.378 -7.602 2.418 1.00 0.00 C ATOM 1066 O LEU A 68 13.992 -8.513 2.973 1.00 0.00 O ATOM 1067 CB LEU A 68 13.730 -5.273 3.258 1.00 0.00 C ATOM 1068 CG LEU A 68 13.062 -3.945 3.592 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.994 -3.067 4.410 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.622 -3.234 2.323 1.00 0.00 C ATOM 0 H LEU A 68 12.843 -6.272 5.301 1.00 0.00 H new ATOM 0 HA LEU A 68 11.850 -6.164 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.508 -5.472 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.223 -5.186 2.290 1.00 0.00 H new ATOM 0 HG LEU A 68 12.175 -4.148 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.498 -2.123 4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.251 -3.576 5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.902 -2.871 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.147 -2.288 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.491 -3.044 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.912 -3.860 1.783 1.00 0.00 H new ATOM 1082 N THR A 69 13.191 -7.541 1.105 1.00 0.00 N ATOM 1083 CA THR A 69 13.708 -8.567 0.206 1.00 0.00 C ATOM 1084 C THR A 69 13.967 -8.000 -1.188 1.00 0.00 C ATOM 1085 O THR A 69 13.416 -6.964 -1.562 1.00 0.00 O ATOM 1086 CB THR A 69 12.727 -9.738 0.120 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.394 -9.270 0.031 1.00 0.00 O ATOM 1088 CG2 THR A 69 12.809 -10.671 1.306 1.00 0.00 C ATOM 0 H THR A 69 12.684 -6.790 0.638 1.00 0.00 H new ATOM 0 HA THR A 69 14.656 -8.922 0.611 1.00 0.00 H new ATOM 0 HB THR A 69 13.011 -10.289 -0.776 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.782 -10.034 -0.025 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.088 -11.479 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.814 -11.088 1.372 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.584 -10.120 2.219 1.00 0.00 H new ATOM 1096 N ARG A 70 14.812 -8.689 -1.953 1.00 0.00 N ATOM 1097 CA ARG A 70 15.153 -8.254 -3.311 1.00 0.00 C ATOM 1098 C ARG A 70 13.897 -7.975 -4.129 1.00 0.00 C ATOM 1099 O ARG A 70 13.713 -6.874 -4.648 1.00 0.00 O ATOM 1100 CB ARG A 70 16.008 -9.311 -4.023 1.00 0.00 C ATOM 1101 CG ARG A 70 17.004 -10.027 -3.120 1.00 0.00 C ATOM 1102 CD ARG A 70 16.474 -11.379 -2.668 1.00 0.00 C ATOM 1103 NE ARG A 70 17.134 -11.847 -1.452 1.00 0.00 N ATOM 1104 CZ ARG A 70 17.055 -13.096 -1.000 1.00 0.00 C ATOM 1105 NH1 ARG A 70 16.347 -14.005 -1.658 1.00 0.00 N ATOM 1106 NH2 ARG A 70 17.687 -13.438 0.115 1.00 0.00 N ATOM 0 H ARG A 70 15.274 -9.550 -1.658 1.00 0.00 H new ATOM 0 HA ARG A 70 15.727 -7.331 -3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.347 -10.052 -4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.553 -8.832 -4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 70 17.946 -10.163 -3.651 1.00 0.00 H new ATOM 0 HG3 ARG A 70 17.217 -9.408 -2.248 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.400 -11.307 -2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 70 16.619 -12.110 -3.464 1.00 0.00 H new ATOM 0 HE ARG A 70 17.688 -11.177 -0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.859 -13.748 -2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.291 -14.961 -1.306 1.00 0.00 H new ATOM 0 HH21 ARG A 70 18.233 -12.744 0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.627 -14.395 0.462 1.00 0.00 H new ATOM 1120 N ASP A 71 13.034 -8.979 -4.240 1.00 0.00 N ATOM 1121 CA ASP A 71 11.794 -8.842 -4.995 1.00 0.00 C ATOM 1122 C ASP A 71 10.970 -7.658 -4.492 1.00 0.00 C ATOM 1123 O ASP A 71 10.110 -7.144 -5.209 1.00 0.00 O ATOM 1124 CB ASP A 71 10.969 -10.128 -4.899 1.00 0.00 C ATOM 1125 CG ASP A 71 9.689 -10.058 -5.709 1.00 0.00 C ATOM 1126 OD1 ASP A 71 9.684 -9.368 -6.751 1.00 0.00 O ATOM 1127 OD2 ASP A 71 8.693 -10.693 -5.302 1.00 0.00 O ATOM 0 H ASP A 71 13.170 -9.897 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 71 12.055 -8.660 -6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.570 -10.968 -5.247 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.724 -10.322 -3.855 1.00 0.00 H new ATOM 1132 N ASP A 72 11.231 -7.228 -3.260 1.00 0.00 N ATOM 1133 CA ASP A 72 10.505 -6.107 -2.676 1.00 0.00 C ATOM 1134 C ASP A 72 11.074 -4.767 -3.146 1.00 0.00 C ATOM 1135 O ASP A 72 10.438 -3.726 -2.984 1.00 0.00 O ATOM 1136 CB ASP A 72 10.544 -6.186 -1.149 1.00 0.00 C ATOM 1137 CG ASP A 72 9.191 -5.915 -0.521 1.00 0.00 C ATOM 1138 OD1 ASP A 72 8.192 -6.506 -0.985 1.00 0.00 O ATOM 1139 OD2 ASP A 72 9.129 -5.114 0.435 1.00 0.00 O ATOM 0 H ASP A 72 11.938 -7.638 -2.650 1.00 0.00 H new ATOM 0 HA ASP A 72 9.470 -6.171 -3.012 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.890 -7.175 -0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.269 -5.466 -0.769 1.00 0.00 H new ATOM 1144 N SER A 73 12.272 -4.796 -3.728 1.00 0.00 N ATOM 1145 CA SER A 73 12.912 -3.579 -4.216 1.00 0.00 C ATOM 1146 C SER A 73 12.379 -3.200 -5.594 1.00 0.00 C ATOM 1147 O SER A 73 12.201 -4.062 -6.456 1.00 0.00 O ATOM 1148 CB SER A 73 14.430 -3.764 -4.276 1.00 0.00 C ATOM 1149 OG SER A 73 14.830 -4.335 -5.510 1.00 0.00 O ATOM 0 H SER A 73 12.816 -5.647 -3.872 1.00 0.00 H new ATOM 0 HA SER A 73 12.679 -2.772 -3.521 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.922 -2.800 -4.142 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.753 -4.404 -3.455 1.00 0.00 H new ATOM 0 HG SER A 73 14.572 -5.280 -5.532 1.00 0.00 H new ATOM 1155 N GLY A 74 12.131 -1.910 -5.800 1.00 0.00 N ATOM 1156 CA GLY A 74 11.626 -1.457 -7.083 1.00 0.00 C ATOM 1157 C GLY A 74 10.680 -0.266 -6.960 1.00 0.00 C ATOM 1158 O GLY A 74 11.056 0.760 -6.394 1.00 0.00 O ATOM 0 H GLY A 74 12.270 -1.175 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.465 -1.184 -7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.106 -2.279 -7.574 1.00 0.00 H new ATOM 1162 N THR A 75 9.457 -0.379 -7.495 1.00 0.00 N ATOM 1163 CA THR A 75 8.494 0.724 -7.432 1.00 0.00 C ATOM 1164 C THR A 75 7.100 0.202 -7.075 1.00 0.00 C ATOM 1165 O THR A 75 6.629 -0.780 -7.649 1.00 0.00 O ATOM 1166 CB THR A 75 8.473 1.458 -8.781 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.438 2.495 -8.796 1.00 0.00 O ATOM 1168 CG2 THR A 75 7.137 2.079 -9.137 1.00 0.00 C ATOM 0 H THR A 75 9.115 -1.214 -7.971 1.00 0.00 H new ATOM 0 HA THR A 75 8.797 1.422 -6.652 1.00 0.00 H new ATOM 0 HB THR A 75 8.690 0.685 -9.518 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.413 2.952 -9.662 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.213 2.576 -10.104 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.376 1.300 -9.188 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.860 2.808 -8.375 1.00 0.00 H new ATOM 1176 N TYR A 76 6.444 0.871 -6.130 1.00 0.00 N ATOM 1177 CA TYR A 76 5.103 0.480 -5.706 1.00 0.00 C ATOM 1178 C TYR A 76 4.074 1.492 -6.195 1.00 0.00 C ATOM 1179 O TYR A 76 4.287 2.701 -6.101 1.00 0.00 O ATOM 1180 CB TYR A 76 5.031 0.364 -4.181 1.00 0.00 C ATOM 1181 CG TYR A 76 5.811 -0.804 -3.618 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.198 -0.802 -3.622 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.158 -1.906 -3.075 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.916 -1.862 -3.105 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.871 -2.970 -2.553 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.248 -2.942 -2.571 1.00 0.00 C ATOM 1187 OH TYR A 76 7.958 -4.000 -2.052 1.00 0.00 O ATOM 0 H TYR A 76 6.819 1.686 -5.644 1.00 0.00 H new ATOM 0 HA TYR A 76 4.880 -0.493 -6.143 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.406 1.286 -3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.987 0.269 -3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.726 0.044 -4.037 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.078 -1.931 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.996 -1.845 -3.119 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.351 -3.818 -2.133 1.00 0.00 H new ATOM 0 HH TYR A 76 8.918 -3.824 -2.140 1.00 0.00 H new ATOM 1197 N ASN A 77 2.961 0.995 -6.723 1.00 0.00 N ATOM 1198 CA ASN A 77 1.906 1.863 -7.233 1.00 0.00 C ATOM 1199 C ASN A 77 0.624 1.708 -6.420 1.00 0.00 C ATOM 1200 O ASN A 77 0.070 0.610 -6.319 1.00 0.00 O ATOM 1201 CB ASN A 77 1.625 1.547 -8.702 1.00 0.00 C ATOM 1202 CG ASN A 77 2.484 2.364 -9.647 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.470 3.594 -9.610 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.238 1.681 -10.502 1.00 0.00 N ATOM 0 H ASN A 77 2.766 -0.003 -6.809 1.00 0.00 H new ATOM 0 HA ASN A 77 2.249 2.894 -7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.800 0.486 -8.882 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.573 1.737 -8.916 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.837 2.177 -11.163 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.218 0.661 -10.498 1.00 0.00 H new ATOM 1211 N VAL A 78 0.149 2.814 -5.849 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.076 2.787 -5.060 1.00 0.00 C ATOM 1213 C VAL A 78 -2.244 3.396 -5.829 1.00 0.00 C ATOM 1214 O VAL A 78 -2.138 4.501 -6.367 1.00 0.00 O ATOM 1215 CB VAL A 78 -0.955 3.536 -3.710 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.711 2.776 -2.633 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.499 3.759 -3.299 1.00 0.00 C ATOM 0 H VAL A 78 0.591 3.731 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.255 1.731 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.399 4.524 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.624 3.306 -1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.762 2.700 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.290 1.776 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.531 4.288 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.000 2.796 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.005 4.352 -4.060 1.00 0.00 H new ATOM 1227 N THR A 79 -3.365 2.678 -5.853 1.00 0.00 N ATOM 1228 CA THR A 79 -4.569 3.148 -6.527 1.00 0.00 C ATOM 1229 C THR A 79 -5.692 3.308 -5.509 1.00 0.00 C ATOM 1230 O THR A 79 -6.272 2.325 -5.048 1.00 0.00 O ATOM 1231 CB THR A 79 -4.987 2.178 -7.635 1.00 0.00 C ATOM 1232 OG1 THR A 79 -3.994 1.189 -7.842 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.234 2.862 -8.961 1.00 0.00 C ATOM 0 H THR A 79 -3.462 1.764 -5.410 1.00 0.00 H new ATOM 0 HA THR A 79 -4.360 4.113 -6.988 1.00 0.00 H new ATOM 0 HB THR A 79 -5.920 1.732 -7.291 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.041 0.866 -8.766 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.527 2.120 -9.704 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.031 3.597 -8.848 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.322 3.362 -9.288 1.00 0.00 H new ATOM 1241 N VAL A 80 -5.977 4.553 -5.149 1.00 0.00 N ATOM 1242 CA VAL A 80 -7.011 4.845 -4.163 1.00 0.00 C ATOM 1243 C VAL A 80 -8.345 5.179 -4.826 1.00 0.00 C ATOM 1244 O VAL A 80 -8.426 6.076 -5.664 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.586 6.016 -3.250 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.682 6.359 -2.254 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.285 5.691 -2.523 1.00 0.00 C ATOM 0 H VAL A 80 -5.507 5.377 -5.525 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.139 3.945 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.418 6.888 -3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.355 7.187 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.585 6.647 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.892 5.490 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.005 6.530 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.423 4.800 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.496 5.510 -3.253 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.390 4.453 -4.434 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.720 4.676 -4.976 1.00 0.00 C ATOM 1259 C TYR A 81 -11.698 5.066 -3.880 1.00 0.00 C ATOM 1260 O TYR A 81 -11.593 4.613 -2.736 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.235 3.433 -5.678 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.325 2.923 -6.773 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.396 3.448 -8.058 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.398 1.919 -6.526 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -9.569 2.988 -9.064 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.567 1.452 -7.527 1.00 0.00 C ATOM 1267 CZ TYR A 81 -8.656 1.990 -8.795 1.00 0.00 C ATOM 1268 OH TYR A 81 -7.833 1.527 -9.796 1.00 0.00 O ATOM 0 H TYR A 81 -9.337 3.705 -3.742 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.643 5.491 -5.695 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.376 2.643 -4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.214 3.649 -6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.110 4.229 -8.274 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.325 1.496 -5.535 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -9.637 3.408 -10.057 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.852 0.670 -7.318 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.248 0.825 -9.441 1.00 0.00 H new ATOM 1278 N SER A 82 -12.655 5.896 -4.259 1.00 0.00 N ATOM 1279 CA SER A 82 -13.680 6.380 -3.343 1.00 0.00 C ATOM 1280 C SER A 82 -14.885 5.446 -3.309 1.00 0.00 C ATOM 1281 O SER A 82 -14.930 4.442 -4.019 1.00 0.00 O ATOM 1282 CB SER A 82 -14.130 7.786 -3.740 1.00 0.00 C ATOM 1283 OG SER A 82 -13.620 8.148 -5.012 1.00 0.00 O ATOM 0 H SER A 82 -12.745 6.255 -5.210 1.00 0.00 H new ATOM 0 HA SER A 82 -13.241 6.409 -2.346 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.219 7.831 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.792 8.503 -2.992 1.00 0.00 H new ATOM 0 HG SER A 82 -14.025 8.993 -5.298 1.00 0.00 H new ATOM 1289 N THR A 83 -15.859 5.797 -2.479 1.00 0.00 N ATOM 1290 CA THR A 83 -17.078 5.006 -2.344 1.00 0.00 C ATOM 1291 C THR A 83 -17.872 4.988 -3.648 1.00 0.00 C ATOM 1292 O THR A 83 -18.727 4.126 -3.851 1.00 0.00 O ATOM 1293 CB THR A 83 -17.946 5.560 -1.214 1.00 0.00 C ATOM 1294 OG1 THR A 83 -17.819 6.969 -1.128 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.601 4.986 0.144 1.00 0.00 C ATOM 0 H THR A 83 -15.829 6.627 -1.887 1.00 0.00 H new ATOM 0 HA THR A 83 -16.788 3.982 -2.106 1.00 0.00 H new ATOM 0 HB THR A 83 -18.966 5.269 -1.466 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.383 7.305 -0.400 1.00 0.00 H new ATOM 0 HG21 THR A 83 -18.254 5.422 0.900 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.736 3.905 0.127 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.563 5.218 0.384 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.588 5.942 -4.530 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.281 6.027 -5.812 1.00 0.00 C ATOM 1305 C ASN A 84 -17.496 5.318 -6.913 1.00 0.00 C ATOM 1306 O ASN A 84 -17.694 5.587 -8.098 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.508 7.491 -6.195 1.00 0.00 C ATOM 1308 CG ASN A 84 -19.643 8.124 -5.414 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -20.705 7.524 -5.245 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -19.425 9.343 -4.935 1.00 0.00 N ATOM 0 H ASN A 84 -16.885 6.665 -4.381 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.245 5.529 -5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -17.592 8.055 -6.021 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -18.724 7.555 -7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -20.153 9.820 -4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -18.529 9.803 -5.099 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.606 4.410 -6.518 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.811 3.680 -7.489 1.00 0.00 C ATOM 1319 C GLY A 85 -15.030 4.594 -8.414 1.00 0.00 C ATOM 1320 O GLY A 85 -14.771 4.247 -9.565 1.00 0.00 O ATOM 0 H GLY A 85 -16.422 4.168 -5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.118 3.023 -6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.466 3.043 -8.083 1.00 0.00 H new ATOM 1324 N THR A 86 -14.657 5.765 -7.909 1.00 0.00 N ATOM 1325 CA THR A 86 -13.901 6.732 -8.698 1.00 0.00 C ATOM 1326 C THR A 86 -12.431 6.735 -8.292 1.00 0.00 C ATOM 1327 O THR A 86 -12.089 6.397 -7.159 1.00 0.00 O ATOM 1328 CB THR A 86 -14.493 8.132 -8.530 1.00 0.00 C ATOM 1329 OG1 THR A 86 -15.851 8.059 -8.133 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.427 8.966 -9.790 1.00 0.00 C ATOM 0 H THR A 86 -14.865 6.068 -6.958 1.00 0.00 H new ATOM 0 HA THR A 86 -13.968 6.441 -9.746 1.00 0.00 H new ATOM 0 HB THR A 86 -13.883 8.612 -7.765 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.211 8.965 -8.029 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.864 9.947 -9.601 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.387 9.085 -10.094 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.983 8.469 -10.585 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.566 7.120 -9.224 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.132 7.169 -8.961 1.00 0.00 C ATOM 1340 C ARG A 87 -9.783 8.377 -8.098 1.00 0.00 C ATOM 1341 O ARG A 87 -9.789 9.514 -8.571 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.343 7.218 -10.275 1.00 0.00 C ATOM 1343 CG ARG A 87 -9.999 6.455 -11.416 1.00 0.00 C ATOM 1344 CD ARG A 87 -10.699 7.396 -12.385 1.00 0.00 C ATOM 1345 NE ARG A 87 -11.951 6.832 -12.886 1.00 0.00 N ATOM 1346 CZ ARG A 87 -12.016 5.870 -13.804 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -10.906 5.362 -14.323 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -13.196 5.414 -14.203 1.00 0.00 N ATOM 0 H ARG A 87 -11.832 7.402 -10.167 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.857 6.263 -8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.216 8.259 -10.573 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.346 6.811 -10.104 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.245 5.877 -11.949 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.720 5.744 -11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.902 8.344 -11.887 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.037 7.611 -13.224 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.826 7.197 -12.510 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.996 5.708 -14.019 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.962 4.625 -15.026 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.053 5.800 -13.807 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.247 4.677 -14.906 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.483 8.122 -6.829 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.136 9.188 -5.897 1.00 0.00 C ATOM 1364 C ILE A 88 -7.698 9.655 -6.096 1.00 0.00 C ATOM 1365 O ILE A 88 -7.457 10.804 -6.466 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.331 8.735 -4.431 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -10.818 8.523 -4.139 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -8.735 9.750 -3.461 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.628 9.802 -4.175 1.00 0.00 C ATOM 0 H ILE A 88 -9.473 7.187 -6.423 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.808 10.021 -6.104 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.806 7.790 -4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.227 7.822 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.925 8.062 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -8.886 9.407 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.668 9.855 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.225 10.714 -3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.673 9.577 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.244 10.497 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.551 10.254 -5.164 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.743 8.767 -5.837 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.333 9.113 -5.981 1.00 0.00 C ATOM 1383 C LEU A 89 -4.506 7.929 -6.476 1.00 0.00 C ATOM 1384 O LEU A 89 -4.612 6.817 -5.958 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.780 9.615 -4.643 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.254 9.723 -4.560 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -2.848 10.934 -3.734 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.656 8.449 -3.976 1.00 0.00 C ATOM 0 H LEU A 89 -6.917 7.810 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.259 9.903 -6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.208 10.596 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.123 8.946 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.864 9.851 -5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.761 10.994 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.241 11.839 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.251 10.838 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.572 8.546 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.053 8.287 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.915 7.601 -4.610 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.663 8.194 -7.468 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.783 7.180 -8.035 1.00 0.00 C ATOM 1402 C ASN A 90 -1.335 7.622 -7.864 1.00 0.00 C ATOM 1403 O ASN A 90 -0.888 8.567 -8.513 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.099 6.961 -9.516 1.00 0.00 C ATOM 1405 CG ASN A 90 -3.132 5.493 -9.893 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -3.981 5.059 -10.672 1.00 0.00 O ATOM 1407 ND2 ASN A 90 -2.206 4.717 -9.339 1.00 0.00 N ATOM 0 H ASN A 90 -3.571 9.114 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.940 6.236 -7.512 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.063 7.414 -9.749 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.351 7.472 -10.123 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.180 3.720 -9.554 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.521 5.118 -8.698 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.611 6.960 -6.967 1.00 0.00 N ATOM 1415 CA LYS A 91 0.778 7.329 -6.704 1.00 0.00 C ATOM 1416 C LYS A 91 1.748 6.181 -6.961 1.00 0.00 C ATOM 1417 O LYS A 91 1.371 5.010 -6.943 1.00 0.00 O ATOM 1418 CB LYS A 91 0.928 7.809 -5.259 1.00 0.00 C ATOM 1419 CG LYS A 91 0.132 9.062 -4.945 1.00 0.00 C ATOM 1420 CD LYS A 91 0.969 10.317 -5.134 1.00 0.00 C ATOM 1421 CE LYS A 91 0.774 10.914 -6.518 1.00 0.00 C ATOM 1422 NZ LYS A 91 1.695 12.058 -6.764 1.00 0.00 N ATOM 0 H LYS A 91 -0.956 6.175 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 91 1.029 8.133 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.613 7.011 -4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.982 7.999 -5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.745 9.108 -5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.230 9.016 -3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.698 11.054 -4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.022 10.079 -4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.941 10.145 -7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.258 11.249 -6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.531 12.437 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.519 12.803 -6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.680 11.734 -6.685 1.00 0.00 H new ATOM 1436 N ALA A 92 3.008 6.545 -7.187 1.00 0.00 N ATOM 1437 CA ALA A 92 4.067 5.579 -7.436 1.00 0.00 C ATOM 1438 C ALA A 92 5.336 5.984 -6.693 1.00 0.00 C ATOM 1439 O ALA A 92 5.849 7.087 -6.883 1.00 0.00 O ATOM 1440 CB ALA A 92 4.338 5.472 -8.926 1.00 0.00 C ATOM 0 H ALA A 92 3.320 7.516 -7.202 1.00 0.00 H new ATOM 0 HA ALA A 92 3.746 4.604 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.132 4.746 -9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.432 5.148 -9.438 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.645 6.445 -9.311 1.00 0.00 H new ATOM 1446 N LEU A 93 5.833 5.098 -5.837 1.00 0.00 N ATOM 1447 CA LEU A 93 7.036 5.383 -5.061 1.00 0.00 C ATOM 1448 C LEU A 93 8.153 4.398 -5.384 1.00 0.00 C ATOM 1449 O LEU A 93 7.908 3.314 -5.910 1.00 0.00 O ATOM 1450 CB LEU A 93 6.724 5.334 -3.562 1.00 0.00 C ATOM 1451 CG LEU A 93 5.345 5.863 -3.164 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.265 4.844 -3.493 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.316 6.212 -1.684 1.00 0.00 C ATOM 0 H LEU A 93 5.424 4.180 -5.663 1.00 0.00 H new ATOM 0 HA LEU A 93 7.374 6.384 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.811 4.302 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.483 5.909 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 93 5.146 6.769 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.292 5.239 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.270 4.642 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.459 3.920 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.328 6.587 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.537 5.321 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.063 6.978 -1.476 1.00 0.00 H new ATOM 1465 N ASP A 94 9.383 4.785 -5.054 1.00 0.00 N ATOM 1466 CA ASP A 94 10.545 3.938 -5.297 1.00 0.00 C ATOM 1467 C ASP A 94 11.060 3.353 -3.985 1.00 0.00 C ATOM 1468 O ASP A 94 11.225 4.070 -2.998 1.00 0.00 O ATOM 1469 CB ASP A 94 11.653 4.738 -5.983 1.00 0.00 C ATOM 1470 CG ASP A 94 11.379 4.960 -7.457 1.00 0.00 C ATOM 1471 OD1 ASP A 94 11.786 4.104 -8.272 1.00 0.00 O ATOM 1472 OD2 ASP A 94 10.756 5.987 -7.798 1.00 0.00 O ATOM 0 H ASP A 94 9.599 5.681 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 94 10.244 3.121 -5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.761 5.703 -5.487 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.601 4.213 -5.868 1.00 0.00 H new ATOM 1477 N LEU A 95 11.302 2.048 -3.973 1.00 0.00 N ATOM 1478 CA LEU A 95 11.785 1.377 -2.774 1.00 0.00 C ATOM 1479 C LEU A 95 13.168 0.769 -2.997 1.00 0.00 C ATOM 1480 O LEU A 95 13.290 -0.322 -3.560 1.00 0.00 O ATOM 1481 CB LEU A 95 10.806 0.277 -2.358 1.00 0.00 C ATOM 1482 CG LEU A 95 10.583 0.125 -0.852 1.00 0.00 C ATOM 1483 CD1 LEU A 95 9.784 -1.133 -0.558 1.00 0.00 C ATOM 1484 CD2 LEU A 95 11.908 0.096 -0.104 1.00 0.00 C ATOM 0 H LEU A 95 11.172 1.435 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 95 11.860 2.122 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.844 0.474 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.167 -0.673 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 95 10.016 0.989 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.634 -1.226 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.816 -1.074 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.328 -2.003 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.720 -0.013 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.506 -0.745 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.448 1.025 -0.285 1.00 0.00 H new ATOM 1496 N ARG A 96 14.206 1.471 -2.545 1.00 0.00 N ATOM 1497 CA ARG A 96 15.575 0.985 -2.685 1.00 0.00 C ATOM 1498 C ARG A 96 16.013 0.250 -1.423 1.00 0.00 C ATOM 1499 O ARG A 96 16.162 0.849 -0.353 1.00 0.00 O ATOM 1500 CB ARG A 96 16.545 2.132 -2.998 1.00 0.00 C ATOM 1501 CG ARG A 96 15.865 3.419 -3.446 1.00 0.00 C ATOM 1502 CD ARG A 96 15.040 3.208 -4.710 1.00 0.00 C ATOM 1503 NE ARG A 96 15.582 2.147 -5.557 1.00 0.00 N ATOM 1504 CZ ARG A 96 16.664 2.286 -6.319 1.00 0.00 C ATOM 1505 NH1 ARG A 96 17.324 3.438 -6.343 1.00 0.00 N ATOM 1506 NH2 ARG A 96 17.090 1.271 -7.059 1.00 0.00 N ATOM 0 H ARG A 96 14.124 2.375 -2.080 1.00 0.00 H new ATOM 0 HA ARG A 96 15.597 0.288 -3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 96 17.143 2.340 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 96 17.234 1.808 -3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.221 3.787 -2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.619 4.185 -3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 96 14.015 2.962 -4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 96 15.003 4.139 -5.276 1.00 0.00 H new ATOM 0 HE ARG A 96 15.102 1.247 -5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 96 17.002 4.222 -5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 96 18.153 3.539 -6.929 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.588 0.383 -7.044 1.00 0.00 H new ATOM 0 HH22 ARG A 96 17.919 1.378 -7.643 1.00 0.00 H new ATOM 1520 N ILE A 97 16.197 -1.060 -1.551 1.00 0.00 N ATOM 1521 CA ILE A 97 16.595 -1.891 -0.422 1.00 0.00 C ATOM 1522 C ILE A 97 18.020 -2.408 -0.576 1.00 0.00 C ATOM 1523 O ILE A 97 18.310 -3.206 -1.466 1.00 0.00 O ATOM 1524 CB ILE A 97 15.651 -3.098 -0.257 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.197 -2.688 -0.513 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.804 -3.698 1.133 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.315 -3.840 -0.941 1.00 0.00 C ATOM 0 H ILE A 97 16.076 -1.569 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 97 16.538 -1.256 0.462 1.00 0.00 H new ATOM 0 HB ILE A 97 15.923 -3.854 -0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.787 -2.244 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.175 -1.917 -1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.132 -4.550 1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.833 -4.028 1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.557 -2.947 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.300 -3.479 -1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.701 -4.270 -1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.308 -4.602 -0.161 1.00 0.00 H new ATOM 1539 N LEU A 98 18.902 -1.958 0.309 1.00 0.00 N ATOM 1540 CA LEU A 98 20.283 -2.372 0.295 1.00 0.00 C ATOM 1541 C LEU A 98 20.407 -3.844 0.673 1.00 0.00 C ATOM 1542 O LEU A 98 20.014 -4.252 1.768 1.00 0.00 O ATOM 1543 CB LEU A 98 21.065 -1.503 1.273 1.00 0.00 C ATOM 1544 CG LEU A 98 21.768 -0.301 0.649 1.00 0.00 C ATOM 1545 CD1 LEU A 98 22.364 0.590 1.727 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.844 -0.756 -0.327 1.00 0.00 C ATOM 0 H LEU A 98 18.672 -1.298 1.051 1.00 0.00 H new ATOM 0 HA LEU A 98 20.689 -2.251 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.382 -1.146 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.811 -2.123 1.770 1.00 0.00 H new ATOM 0 HG LEU A 98 21.029 0.279 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.861 1.441 1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.571 0.947 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 98 23.089 0.021 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 98 23.334 0.116 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.581 -1.361 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 98 22.389 -1.349 -1.120 1.00 0.00 H new ATOM 1558 N GLU A 99 20.948 -4.634 -0.245 1.00 0.00 N ATOM 1559 CA GLU A 99 21.123 -6.063 -0.016 1.00 0.00 C ATOM 1560 C GLU A 99 22.350 -6.330 0.849 1.00 0.00 C ATOM 1561 O GLU A 99 23.479 -6.202 0.330 1.00 0.00 O ATOM 1562 CB GLU A 99 21.255 -6.802 -1.350 1.00 0.00 C ATOM 1563 CG GLU A 99 19.989 -6.774 -2.188 1.00 0.00 C ATOM 1564 CD GLU A 99 20.274 -6.676 -3.675 1.00 0.00 C ATOM 1565 OE1 GLU A 99 20.607 -7.713 -4.284 1.00 0.00 O ATOM 1566 OE2 GLU A 99 20.165 -5.562 -4.227 1.00 0.00 O ATOM 1567 OXT GLU A 99 22.173 -6.665 2.039 1.00 0.00 O ATOM 0 H GLU A 99 21.273 -4.310 -1.156 1.00 0.00 H new ATOM 0 HA GLU A 99 20.243 -6.431 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 99 22.070 -6.358 -1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 99 21.529 -7.839 -1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.408 -7.675 -1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.375 -5.927 -1.883 1.00 0.00 H new TER 1574 GLU A 99 HETATM 1575 CA CA A 100 2.476 4.228 6.996 1.00 0.00 CA