USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 773 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 GLY N :NH3+ -101:sc= 0.0738 (180deg=0) USER MOD Single : A 5 SER OG : rot 46:sc= 0.483 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 6:sc= 0.943 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 21 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.2!) USER MOD Single : A 23 MET CE :methyl -111:sc= -3.28! (180deg=-7.38!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.201 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc=-0.00743 K(o=-0.0074,f=-0.88) USER MOD Single : A 65 SER OG : rot 180:sc= -0.505 USER MOD Single : A 70 SER OG : rot 56:sc= 1.12 USER MOD Single : A 75 SER OG : rot 180:sc= 0.12 USER MOD Single : A 76 GLN : amide:sc= -6.46! C(o=-6.5!,f=-16!) USER MOD Single : A 83 MET CE :methyl -130:sc= -3.95 (180deg=-9.66!) USER MOD Single : A 84 THR OG1 : rot 83:sc= 0.0691 USER MOD Single : A 86 THR OG1 : rot -69:sc= -3.99! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 63:sc= 1.12 USER MOD Single : A 91 THR OG1 : rot 120:sc= -3.57! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.75) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.221 -12.089 -25.047 1.00 0.00 N ATOM 2 CA GLY A 1 -6.070 -10.918 -25.192 1.00 0.00 C ATOM 3 C GLY A 1 -6.201 -10.170 -23.864 1.00 0.00 C ATOM 4 O GLY A 1 -5.900 -10.718 -22.805 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.272 -11.878 -25.416 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.152 -12.345 -24.041 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.631 -12.883 -25.579 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.653 -10.253 -25.949 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.057 -11.221 -25.542 1.00 0.00 H new ATOM 8 N PRO A 2 -6.660 -8.893 -23.968 1.00 0.00 N ATOM 9 CA PRO A 2 -6.834 -8.063 -22.787 1.00 0.00 C ATOM 10 C PRO A 2 -8.075 -8.485 -21.998 1.00 0.00 C ATOM 11 O PRO A 2 -9.005 -9.061 -22.560 1.00 0.00 O ATOM 12 CB PRO A 2 -6.921 -6.641 -23.317 1.00 0.00 C ATOM 13 CG PRO A 2 -7.259 -6.765 -24.794 1.00 0.00 C ATOM 14 CD PRO A 2 -7.026 -8.210 -25.204 1.00 0.00 C ATOM 0 HA PRO A 2 -6.012 -8.161 -22.078 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.686 -6.073 -22.788 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.978 -6.113 -23.175 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.295 -6.479 -24.974 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.636 -6.095 -25.386 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.922 -8.645 -25.646 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.234 -8.287 -25.948 1.00 0.00 H new ATOM 22 N LEU A 3 -8.050 -8.179 -20.710 1.00 0.00 N ATOM 23 CA LEU A 3 -9.163 -8.518 -19.837 1.00 0.00 C ATOM 24 C LEU A 3 -8.857 -8.036 -18.419 1.00 0.00 C ATOM 25 O LEU A 3 -7.711 -8.087 -17.975 1.00 0.00 O ATOM 26 CB LEU A 3 -9.474 -10.013 -19.925 1.00 0.00 C ATOM 27 CG LEU A 3 -10.438 -10.561 -18.871 1.00 0.00 C ATOM 28 CD1 LEU A 3 -11.215 -11.763 -19.408 1.00 0.00 C ATOM 29 CD2 LEU A 3 -9.697 -10.891 -17.572 1.00 0.00 C ATOM 0 H LEU A 3 -7.277 -7.700 -20.248 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.071 -8.007 -20.158 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.890 -10.220 -20.911 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.536 -10.564 -19.852 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.168 -9.785 -18.640 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.892 -12.132 -18.638 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.790 -11.463 -20.284 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.517 -12.553 -19.686 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.404 -11.279 -16.838 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.932 -11.641 -17.770 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.228 -9.988 -17.181 1.00 0.00 H new ATOM 41 N GLY A 4 -9.903 -7.581 -17.745 1.00 0.00 N ATOM 42 CA GLY A 4 -9.761 -7.090 -16.385 1.00 0.00 C ATOM 43 C GLY A 4 -9.864 -5.564 -16.338 1.00 0.00 C ATOM 44 O GLY A 4 -9.446 -4.882 -17.273 1.00 0.00 O ATOM 0 H GLY A 4 -10.853 -7.542 -18.116 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.533 -7.530 -15.754 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.800 -7.406 -15.979 1.00 0.00 H new ATOM 48 N SER A 5 -10.423 -5.074 -15.241 1.00 0.00 N ATOM 49 CA SER A 5 -10.586 -3.641 -15.062 1.00 0.00 C ATOM 50 C SER A 5 -11.222 -3.355 -13.699 1.00 0.00 C ATOM 51 O SER A 5 -12.436 -3.184 -13.602 1.00 0.00 O ATOM 52 CB SER A 5 -11.435 -3.039 -16.181 1.00 0.00 C ATOM 53 OG SER A 5 -12.702 -3.680 -16.294 1.00 0.00 O ATOM 0 H SER A 5 -10.768 -5.643 -14.468 1.00 0.00 H new ATOM 0 HA SER A 5 -9.601 -3.176 -15.102 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.582 -1.976 -15.992 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.900 -3.124 -17.127 1.00 0.00 H new ATOM 0 HG SER A 5 -13.100 -3.776 -15.404 1.00 0.00 H new ATOM 59 N LEU A 6 -10.375 -3.311 -12.683 1.00 0.00 N ATOM 60 CA LEU A 6 -10.839 -3.048 -11.332 1.00 0.00 C ATOM 61 C LEU A 6 -11.676 -4.232 -10.846 1.00 0.00 C ATOM 62 O LEU A 6 -12.752 -4.498 -11.380 1.00 0.00 O ATOM 63 CB LEU A 6 -11.575 -1.707 -11.268 1.00 0.00 C ATOM 64 CG LEU A 6 -10.810 -0.553 -10.619 1.00 0.00 C ATOM 65 CD1 LEU A 6 -10.427 0.504 -11.656 1.00 0.00 C ATOM 66 CD2 LEU A 6 -11.606 0.047 -9.458 1.00 0.00 C ATOM 0 H LEU A 6 -9.369 -3.453 -12.768 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.993 -2.953 -10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -11.843 -1.414 -12.283 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -12.507 -1.852 -10.721 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.883 -0.949 -10.205 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.884 1.313 -11.167 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.794 0.052 -12.420 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.329 0.901 -12.121 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.040 0.866 -9.014 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -12.560 0.424 -9.827 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.786 -0.720 -8.705 1.00 0.00 H new ATOM 78 N ARG A 7 -11.151 -4.911 -9.836 1.00 0.00 N ATOM 79 CA ARG A 7 -11.836 -6.062 -9.272 1.00 0.00 C ATOM 80 C ARG A 7 -10.989 -6.696 -8.165 1.00 0.00 C ATOM 81 O ARG A 7 -9.777 -6.491 -8.115 1.00 0.00 O ATOM 82 CB ARG A 7 -12.129 -7.110 -10.346 1.00 0.00 C ATOM 83 CG ARG A 7 -10.835 -7.620 -10.983 1.00 0.00 C ATOM 84 CD ARG A 7 -10.814 -7.334 -12.485 1.00 0.00 C ATOM 85 NE ARG A 7 -10.313 -8.516 -13.219 1.00 0.00 N ATOM 86 CZ ARG A 7 -9.025 -8.882 -13.265 1.00 0.00 C ATOM 87 NH1 ARG A 7 -8.100 -8.161 -12.620 1.00 0.00 N ATOM 88 NH2 ARG A 7 -8.662 -9.973 -13.955 1.00 0.00 N ATOM 0 H ARG A 7 -10.260 -4.686 -9.394 1.00 0.00 H new ATOM 0 HA ARG A 7 -12.781 -5.713 -8.855 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -12.675 -7.944 -9.905 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -12.771 -6.679 -11.114 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.978 -7.143 -10.506 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.739 -8.692 -10.812 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.817 -7.080 -12.829 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.179 -6.472 -12.690 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.991 -9.089 -13.722 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.375 -7.332 -12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.120 -8.440 -12.655 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.367 -10.524 -14.445 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.681 -10.251 -13.990 1.00 0.00 H new ATOM 102 N LYS A 8 -11.660 -7.452 -7.310 1.00 0.00 N ATOM 103 CA LYS A 8 -10.983 -8.117 -6.210 1.00 0.00 C ATOM 104 C LYS A 8 -9.752 -8.853 -6.743 1.00 0.00 C ATOM 105 O LYS A 8 -9.881 -9.837 -7.470 1.00 0.00 O ATOM 106 CB LYS A 8 -11.958 -9.019 -5.449 1.00 0.00 C ATOM 107 CG LYS A 8 -12.869 -8.196 -4.536 1.00 0.00 C ATOM 108 CD LYS A 8 -14.185 -7.856 -5.237 1.00 0.00 C ATOM 109 CE LYS A 8 -15.373 -8.490 -4.511 1.00 0.00 C ATOM 110 NZ LYS A 8 -15.881 -7.583 -3.458 1.00 0.00 N ATOM 0 H LYS A 8 -12.665 -7.619 -7.356 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.627 -7.386 -5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.563 -9.585 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.401 -9.743 -4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.073 -8.754 -3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.361 -7.277 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.312 -6.774 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.154 -8.209 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.167 -8.710 -5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.071 -9.439 -4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.687 -8.029 -2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.126 -7.394 -2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.188 -6.688 -3.889 1.00 0.00 H new ATOM 124 N GLU A 9 -8.589 -8.346 -6.362 1.00 0.00 N ATOM 125 CA GLU A 9 -7.337 -8.943 -6.794 1.00 0.00 C ATOM 126 C GLU A 9 -6.183 -7.960 -6.593 1.00 0.00 C ATOM 127 O GLU A 9 -6.406 -6.792 -6.275 1.00 0.00 O ATOM 128 CB GLU A 9 -7.420 -9.401 -8.250 1.00 0.00 C ATOM 129 CG GLU A 9 -7.491 -10.927 -8.342 1.00 0.00 C ATOM 130 CD GLU A 9 -6.567 -11.453 -9.443 1.00 0.00 C ATOM 131 OE1 GLU A 9 -6.828 -11.111 -10.616 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.620 -12.187 -9.085 1.00 0.00 O ATOM 0 H GLU A 9 -8.487 -7.529 -5.759 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.148 -9.825 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.299 -8.963 -8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.550 -9.040 -8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.209 -11.366 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.517 -11.235 -8.545 1.00 0.00 H new ATOM 139 N PRO A 10 -4.942 -8.480 -6.792 1.00 0.00 N ATOM 140 CA PRO A 10 -3.753 -7.659 -6.637 1.00 0.00 C ATOM 141 C PRO A 10 -3.583 -6.709 -7.824 1.00 0.00 C ATOM 142 O PRO A 10 -3.120 -7.117 -8.888 1.00 0.00 O ATOM 143 CB PRO A 10 -2.607 -8.649 -6.499 1.00 0.00 C ATOM 144 CG PRO A 10 -3.128 -9.968 -7.045 1.00 0.00 C ATOM 145 CD PRO A 10 -4.639 -9.858 -7.168 1.00 0.00 C ATOM 0 HA PRO A 10 -3.804 -7.005 -5.767 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.732 -8.314 -7.056 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.302 -8.751 -5.458 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.681 -10.183 -8.016 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.858 -10.789 -6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -4.970 -10.073 -8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.142 -10.568 -6.511 1.00 0.00 H new ATOM 153 N GLU A 11 -3.966 -5.460 -7.602 1.00 0.00 N ATOM 154 CA GLU A 11 -3.862 -4.450 -8.640 1.00 0.00 C ATOM 155 C GLU A 11 -2.937 -3.318 -8.188 1.00 0.00 C ATOM 156 O GLU A 11 -2.608 -3.213 -7.007 1.00 0.00 O ATOM 157 CB GLU A 11 -5.242 -3.911 -9.021 1.00 0.00 C ATOM 158 CG GLU A 11 -5.388 -3.803 -10.539 1.00 0.00 C ATOM 159 CD GLU A 11 -5.785 -5.150 -11.149 1.00 0.00 C ATOM 160 OE1 GLU A 11 -5.085 -6.139 -10.844 1.00 0.00 O ATOM 161 OE2 GLU A 11 -6.779 -5.160 -11.905 1.00 0.00 O ATOM 0 H GLU A 11 -4.349 -5.125 -6.718 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.431 -4.913 -9.528 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.015 -4.568 -8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.392 -2.931 -8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.141 -3.053 -10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.448 -3.465 -10.975 1.00 0.00 H new ATOM 168 N ILE A 12 -2.541 -2.499 -9.152 1.00 0.00 N ATOM 169 CA ILE A 12 -1.660 -1.378 -8.868 1.00 0.00 C ATOM 170 C ILE A 12 -2.501 -0.131 -8.590 1.00 0.00 C ATOM 171 O ILE A 12 -3.130 0.412 -9.496 1.00 0.00 O ATOM 172 CB ILE A 12 -0.646 -1.197 -9.998 1.00 0.00 C ATOM 173 CG1 ILE A 12 0.427 -0.175 -9.612 1.00 0.00 C ATOM 174 CG2 ILE A 12 -1.343 -0.828 -11.308 1.00 0.00 C ATOM 175 CD1 ILE A 12 1.686 -0.352 -10.463 1.00 0.00 C ATOM 0 H ILE A 12 -2.814 -2.589 -10.131 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.073 -1.572 -7.971 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.142 -2.150 -10.160 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.036 0.834 -9.741 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.678 -0.287 -8.557 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.598 -0.705 -12.094 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.038 -1.621 -11.586 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.891 0.105 -11.178 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.431 0.386 -10.168 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.089 -1.354 -10.313 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.436 -0.215 -11.515 1.00 0.00 H new ATOM 187 N ILE A 13 -2.486 0.285 -7.333 1.00 0.00 N ATOM 188 CA ILE A 13 -3.240 1.457 -6.923 1.00 0.00 C ATOM 189 C ILE A 13 -2.307 2.670 -6.884 1.00 0.00 C ATOM 190 O ILE A 13 -1.129 2.542 -6.554 1.00 0.00 O ATOM 191 CB ILE A 13 -3.962 1.195 -5.599 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.294 -0.290 -5.441 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.206 2.077 -5.470 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.467 -0.491 -4.480 1.00 0.00 C ATOM 0 H ILE A 13 -1.963 -0.169 -6.584 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.023 1.678 -7.648 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.290 1.464 -4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.539 -0.717 -6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.419 -0.824 -5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.701 1.872 -4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.913 3.126 -5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.891 1.862 -6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.682 -1.555 -4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.210 -0.085 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.346 0.024 -4.867 1.00 0.00 H new ATOM 206 N THR A 14 -2.870 3.820 -7.226 1.00 0.00 N ATOM 207 CA THR A 14 -2.103 5.053 -7.235 1.00 0.00 C ATOM 208 C THR A 14 -2.876 6.167 -6.524 1.00 0.00 C ATOM 209 O THR A 14 -3.891 6.645 -7.031 1.00 0.00 O ATOM 210 CB THR A 14 -1.759 5.386 -8.687 1.00 0.00 C ATOM 211 OG1 THR A 14 -2.983 5.870 -9.234 1.00 0.00 O ATOM 212 CG2 THR A 14 -1.450 4.138 -9.518 1.00 0.00 C ATOM 0 H THR A 14 -3.847 3.923 -7.499 1.00 0.00 H new ATOM 0 HA THR A 14 -1.170 4.942 -6.682 1.00 0.00 H new ATOM 0 HB THR A 14 -0.902 6.060 -8.709 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.653 5.942 -8.523 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.212 4.431 -10.541 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.599 3.613 -9.084 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.318 3.479 -9.522 1.00 0.00 H new ATOM 220 N VAL A 15 -2.366 6.548 -5.362 1.00 0.00 N ATOM 221 CA VAL A 15 -2.996 7.597 -4.576 1.00 0.00 C ATOM 222 C VAL A 15 -2.059 8.804 -4.501 1.00 0.00 C ATOM 223 O VAL A 15 -0.903 8.672 -4.101 1.00 0.00 O ATOM 224 CB VAL A 15 -3.386 7.054 -3.198 1.00 0.00 C ATOM 225 CG1 VAL A 15 -2.145 6.794 -2.341 1.00 0.00 C ATOM 226 CG2 VAL A 15 -4.353 8.006 -2.490 1.00 0.00 C ATOM 0 H VAL A 15 -1.524 6.150 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.918 7.931 -5.052 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.898 6.103 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.449 6.409 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.507 6.063 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.594 7.725 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.615 7.599 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.878 8.978 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.256 8.120 -3.090 1.00 0.00 H new ATOM 236 N THR A 16 -2.594 9.951 -4.892 1.00 0.00 N ATOM 237 CA THR A 16 -1.821 11.182 -4.873 1.00 0.00 C ATOM 238 C THR A 16 -2.133 11.988 -3.612 1.00 0.00 C ATOM 239 O THR A 16 -3.253 11.948 -3.106 1.00 0.00 O ATOM 240 CB THR A 16 -2.112 11.941 -6.169 1.00 0.00 C ATOM 241 OG1 THR A 16 -1.654 11.065 -7.196 1.00 0.00 O ATOM 242 CG2 THR A 16 -1.236 13.187 -6.325 1.00 0.00 C ATOM 0 H THR A 16 -3.553 10.054 -5.224 1.00 0.00 H new ATOM 0 HA THR A 16 -0.751 10.978 -4.832 1.00 0.00 H new ATOM 0 HB THR A 16 -3.163 12.229 -6.193 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.806 11.479 -8.071 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.482 13.690 -7.260 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.416 13.865 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.186 12.895 -6.335 1.00 0.00 H new ATOM 250 N LEU A 17 -1.122 12.704 -3.141 1.00 0.00 N ATOM 251 CA LEU A 17 -1.274 13.521 -1.948 1.00 0.00 C ATOM 252 C LEU A 17 -2.385 14.547 -2.177 1.00 0.00 C ATOM 253 O LEU A 17 -2.114 15.681 -2.575 1.00 0.00 O ATOM 254 CB LEU A 17 0.067 14.141 -1.549 1.00 0.00 C ATOM 255 CG LEU A 17 0.918 13.327 -0.572 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.253 14.145 0.676 1.00 0.00 C ATOM 257 CD2 LEU A 17 0.236 12.003 -0.224 1.00 0.00 C ATOM 0 H LEU A 17 -0.194 12.735 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.578 12.907 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.650 14.310 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.125 15.118 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 17 1.862 13.084 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.858 13.543 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.809 15.037 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.331 14.439 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.861 11.443 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.731 12.202 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.091 11.418 -1.133 1.00 0.00 H new ATOM 269 N LYS A 18 -3.609 14.117 -1.916 1.00 0.00 N ATOM 270 CA LYS A 18 -4.761 14.987 -2.087 1.00 0.00 C ATOM 271 C LYS A 18 -4.703 16.114 -1.056 1.00 0.00 C ATOM 272 O LYS A 18 -4.484 17.272 -1.408 1.00 0.00 O ATOM 273 CB LYS A 18 -6.056 14.174 -2.039 1.00 0.00 C ATOM 274 CG LYS A 18 -7.258 15.033 -2.442 1.00 0.00 C ATOM 275 CD LYS A 18 -7.703 14.717 -3.871 1.00 0.00 C ATOM 276 CE LYS A 18 -7.147 15.745 -4.858 1.00 0.00 C ATOM 277 NZ LYS A 18 -6.086 15.139 -5.694 1.00 0.00 N ATOM 0 H LYS A 18 -3.830 13.177 -1.587 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.742 15.456 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.977 13.317 -2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.206 13.781 -1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.084 14.856 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.998 16.089 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.363 13.719 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.792 14.709 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.950 16.119 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.746 16.600 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.719 15.850 -6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.313 14.803 -5.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.479 14.337 -6.227 1.00 0.00 H new ATOM 291 N LYS A 19 -4.903 15.735 0.198 1.00 0.00 N ATOM 292 CA LYS A 19 -4.876 16.700 1.285 1.00 0.00 C ATOM 293 C LYS A 19 -3.425 17.055 1.609 1.00 0.00 C ATOM 294 O LYS A 19 -3.166 17.953 2.409 1.00 0.00 O ATOM 295 CB LYS A 19 -5.665 16.175 2.487 1.00 0.00 C ATOM 296 CG LYS A 19 -5.811 17.256 3.561 1.00 0.00 C ATOM 297 CD LYS A 19 -7.056 17.015 4.415 1.00 0.00 C ATOM 298 CE LYS A 19 -8.253 17.796 3.871 1.00 0.00 C ATOM 299 NZ LYS A 19 -8.843 18.644 4.931 1.00 0.00 N ATOM 0 H LYS A 19 -5.084 14.773 0.486 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.371 17.624 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.652 15.844 2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.159 15.306 2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.926 17.264 4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.874 18.237 3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.289 15.950 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.859 17.315 5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.939 18.418 3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.004 17.104 3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.655 19.168 4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.161 18.044 5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.129 19.317 5.275 1.00 0.00 H new ATOM 313 N GLN A 20 -2.515 16.333 0.970 1.00 0.00 N ATOM 314 CA GLN A 20 -1.096 16.564 1.182 1.00 0.00 C ATOM 315 C GLN A 20 -0.766 16.515 2.676 1.00 0.00 C ATOM 316 O GLN A 20 0.015 17.326 3.169 1.00 0.00 O ATOM 317 CB GLN A 20 -0.657 17.892 0.566 1.00 0.00 C ATOM 318 CG GLN A 20 -0.148 17.693 -0.863 1.00 0.00 C ATOM 319 CD GLN A 20 -0.080 19.026 -1.611 1.00 0.00 C ATOM 320 OE1 GLN A 20 0.012 20.092 -1.025 1.00 0.00 O ATOM 321 NE2 GLN A 20 -0.130 18.906 -2.935 1.00 0.00 N ATOM 0 H GLN A 20 -2.733 15.589 0.307 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.541 15.770 0.682 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.494 18.590 0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.128 18.338 1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.840 17.234 -0.840 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.806 17.006 -1.395 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.207 17.982 -3.361 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.091 19.738 -3.524 1.00 0.00 H new ATOM 330 N ASN A 21 -1.379 15.555 3.354 1.00 0.00 N ATOM 331 CA ASN A 21 -1.162 15.392 4.781 1.00 0.00 C ATOM 332 C ASN A 21 -0.259 14.179 5.019 1.00 0.00 C ATOM 333 O ASN A 21 -0.695 13.178 5.587 1.00 0.00 O ATOM 334 CB ASN A 21 -2.481 15.150 5.515 1.00 0.00 C ATOM 335 CG ASN A 21 -2.966 16.426 6.208 1.00 0.00 C ATOM 336 OD1 ASN A 21 -2.192 17.295 6.573 1.00 0.00 O ATOM 337 ND2 ASN A 21 -4.284 16.488 6.367 1.00 0.00 N ATOM 0 H ASN A 21 -2.026 14.883 2.941 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.702 16.305 5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.236 14.806 4.809 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.351 14.358 6.253 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.706 17.300 6.819 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.874 15.724 6.037 1.00 0.00 H new ATOM 344 N GLY A 22 0.983 14.308 4.573 1.00 0.00 N ATOM 345 CA GLY A 22 1.950 13.236 4.730 1.00 0.00 C ATOM 346 C GLY A 22 1.557 12.016 3.892 1.00 0.00 C ATOM 347 O GLY A 22 2.257 11.657 2.946 1.00 0.00 O ATOM 0 H GLY A 22 1.341 15.139 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.938 13.585 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.018 12.954 5.781 1.00 0.00 H new ATOM 351 N MET A 23 0.439 11.414 4.270 1.00 0.00 N ATOM 352 CA MET A 23 -0.055 10.243 3.566 1.00 0.00 C ATOM 353 C MET A 23 -1.132 9.526 4.382 1.00 0.00 C ATOM 354 O MET A 23 -2.293 9.477 3.978 1.00 0.00 O ATOM 355 CB MET A 23 1.104 9.281 3.296 1.00 0.00 C ATOM 356 CG MET A 23 1.314 9.082 1.794 1.00 0.00 C ATOM 357 SD MET A 23 2.977 9.545 1.341 1.00 0.00 S ATOM 358 CE MET A 23 3.829 8.015 1.690 1.00 0.00 C ATOM 0 H MET A 23 -0.139 11.715 5.055 1.00 0.00 H new ATOM 0 HA MET A 23 -0.495 10.569 2.624 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.017 9.671 3.746 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.901 8.320 3.769 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.133 8.040 1.528 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.596 9.683 1.236 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.482 8.151 2.552 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.100 7.234 1.907 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.425 7.725 0.825 1.00 0.00 H new ATOM 368 N GLY A 24 -0.709 8.988 5.517 1.00 0.00 N ATOM 369 CA GLY A 24 -1.624 8.276 6.394 1.00 0.00 C ATOM 370 C GLY A 24 -1.882 6.856 5.881 1.00 0.00 C ATOM 371 O GLY A 24 -2.913 6.594 5.265 1.00 0.00 O ATOM 0 H GLY A 24 0.254 9.031 5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.209 8.233 7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.567 8.819 6.461 1.00 0.00 H new ATOM 375 N LEU A 25 -0.928 5.980 6.154 1.00 0.00 N ATOM 376 CA LEU A 25 -1.039 4.596 5.728 1.00 0.00 C ATOM 377 C LEU A 25 -0.246 3.707 6.689 1.00 0.00 C ATOM 378 O LEU A 25 0.723 4.155 7.299 1.00 0.00 O ATOM 379 CB LEU A 25 -0.616 4.450 4.265 1.00 0.00 C ATOM 380 CG LEU A 25 -1.720 4.648 3.225 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.296 4.097 1.863 1.00 0.00 C ATOM 382 CD2 LEU A 25 -3.041 4.042 3.703 1.00 0.00 C ATOM 0 H LEU A 25 -0.074 6.202 6.665 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.077 4.266 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.179 5.169 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.189 3.456 4.128 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.884 5.719 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.099 4.251 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.400 4.616 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.087 3.031 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.808 4.197 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.910 2.973 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.347 4.523 4.632 1.00 0.00 H new ATOM 394 N SER A 26 -0.689 2.461 6.792 1.00 0.00 N ATOM 395 CA SER A 26 -0.033 1.506 7.668 1.00 0.00 C ATOM 396 C SER A 26 -0.040 0.117 7.025 1.00 0.00 C ATOM 397 O SER A 26 -1.088 -0.520 6.924 1.00 0.00 O ATOM 398 CB SER A 26 -0.711 1.458 9.038 1.00 0.00 C ATOM 399 OG SER A 26 0.229 1.286 10.094 1.00 0.00 O ATOM 0 H SER A 26 -1.493 2.092 6.284 1.00 0.00 H new ATOM 0 HA SER A 26 0.998 1.828 7.814 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.271 2.380 9.198 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.431 0.640 9.057 1.00 0.00 H new ATOM 0 HG SER A 26 -0.244 1.262 10.952 1.00 0.00 H new ATOM 405 N ILE A 27 1.141 -0.312 6.606 1.00 0.00 N ATOM 406 CA ILE A 27 1.285 -1.615 5.976 1.00 0.00 C ATOM 407 C ILE A 27 2.282 -2.457 6.776 1.00 0.00 C ATOM 408 O ILE A 27 2.882 -1.971 7.733 1.00 0.00 O ATOM 409 CB ILE A 27 1.660 -1.456 4.501 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.176 -1.385 4.324 1.00 0.00 C ATOM 411 CG2 ILE A 27 0.954 -0.249 3.883 1.00 0.00 C ATOM 412 CD1 ILE A 27 3.577 -1.696 2.880 1.00 0.00 C ATOM 0 H ILE A 27 2.008 0.219 6.690 1.00 0.00 H new ATOM 0 HA ILE A 27 0.336 -2.150 5.986 1.00 0.00 H new ATOM 0 HB ILE A 27 1.315 -2.340 3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.531 -0.391 4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.658 -2.093 4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.238 -0.159 2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.125 -0.382 3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.245 0.656 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.661 -1.638 2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.242 -2.700 2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.114 -0.972 2.210 1.00 0.00 H new ATOM 424 N VAL A 28 2.425 -3.703 6.353 1.00 0.00 N ATOM 425 CA VAL A 28 3.337 -4.619 7.018 1.00 0.00 C ATOM 426 C VAL A 28 3.853 -5.643 6.007 1.00 0.00 C ATOM 427 O VAL A 28 3.108 -6.092 5.137 1.00 0.00 O ATOM 428 CB VAL A 28 2.647 -5.263 8.222 1.00 0.00 C ATOM 429 CG1 VAL A 28 3.498 -6.396 8.801 1.00 0.00 C ATOM 430 CG2 VAL A 28 2.324 -4.219 9.293 1.00 0.00 C ATOM 0 H VAL A 28 1.925 -4.101 5.558 1.00 0.00 H new ATOM 0 HA VAL A 28 4.202 -4.081 7.405 1.00 0.00 H new ATOM 0 HB VAL A 28 1.706 -5.692 7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.984 -6.837 9.656 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.655 -7.159 8.039 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.462 -6.000 9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.834 -4.704 10.138 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.247 -3.747 9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.661 -3.462 8.875 1.00 0.00 H new ATOM 440 N ALA A 29 5.126 -5.984 6.154 1.00 0.00 N ATOM 441 CA ALA A 29 5.750 -6.948 5.264 1.00 0.00 C ATOM 442 C ALA A 29 6.411 -8.049 6.092 1.00 0.00 C ATOM 443 O ALA A 29 7.252 -7.768 6.946 1.00 0.00 O ATOM 444 CB ALA A 29 6.745 -6.228 4.350 1.00 0.00 C ATOM 0 H ALA A 29 5.741 -5.610 6.876 1.00 0.00 H new ATOM 0 HA ALA A 29 5.003 -7.421 4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.214 -6.950 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.220 -5.476 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.511 -5.744 4.956 1.00 0.00 H new ATOM 450 N ALA A 30 6.007 -9.280 5.814 1.00 0.00 N ATOM 451 CA ALA A 30 6.550 -10.425 6.524 1.00 0.00 C ATOM 452 C ALA A 30 7.647 -11.072 5.677 1.00 0.00 C ATOM 453 O ALA A 30 7.672 -10.908 4.458 1.00 0.00 O ATOM 454 CB ALA A 30 5.419 -11.401 6.858 1.00 0.00 C ATOM 0 H ALA A 30 5.309 -9.509 5.106 1.00 0.00 H new ATOM 0 HA ALA A 30 7.002 -10.114 7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.826 -12.261 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.681 -10.901 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.944 -11.737 5.936 1.00 0.00 H new ATOM 460 N LYS A 31 8.528 -11.792 6.358 1.00 0.00 N ATOM 461 CA LYS A 31 9.625 -12.464 5.683 1.00 0.00 C ATOM 462 C LYS A 31 9.485 -13.975 5.870 1.00 0.00 C ATOM 463 O LYS A 31 8.669 -14.433 6.670 1.00 0.00 O ATOM 464 CB LYS A 31 10.968 -11.908 6.160 1.00 0.00 C ATOM 465 CG LYS A 31 10.975 -11.717 7.678 1.00 0.00 C ATOM 466 CD LYS A 31 10.863 -13.063 8.398 1.00 0.00 C ATOM 467 CE LYS A 31 11.782 -13.107 9.622 1.00 0.00 C ATOM 468 NZ LYS A 31 11.801 -14.468 10.205 1.00 0.00 N ATOM 0 H LYS A 31 8.504 -11.924 7.369 1.00 0.00 H new ATOM 0 HA LYS A 31 9.588 -12.270 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.770 -12.588 5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.166 -10.955 5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.893 -11.213 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.146 -11.073 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.831 -13.230 8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.125 -13.869 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.792 -12.813 9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.439 -12.390 10.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.429 -14.482 11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.839 -14.735 10.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.149 -15.145 9.496 1.00 0.00 H new ATOM 482 N GLY A 32 10.290 -14.711 5.119 1.00 0.00 N ATOM 483 CA GLY A 32 10.265 -16.162 5.191 1.00 0.00 C ATOM 484 C GLY A 32 9.919 -16.773 3.833 1.00 0.00 C ATOM 485 O GLY A 32 10.269 -16.220 2.791 1.00 0.00 O ATOM 0 H GLY A 32 10.965 -14.329 4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.236 -16.530 5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.533 -16.480 5.934 1.00 0.00 H new ATOM 489 N ALA A 33 9.235 -17.906 3.887 1.00 0.00 N ATOM 490 CA ALA A 33 8.837 -18.600 2.672 1.00 0.00 C ATOM 491 C ALA A 33 7.680 -17.844 2.016 1.00 0.00 C ATOM 492 O ALA A 33 6.761 -17.393 2.698 1.00 0.00 O ATOM 493 CB ALA A 33 8.474 -20.048 3.006 1.00 0.00 C ATOM 0 H ALA A 33 8.946 -18.362 4.753 1.00 0.00 H new ATOM 0 HA ALA A 33 9.660 -18.628 1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.176 -20.568 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.338 -20.548 3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.649 -20.061 3.718 1.00 0.00 H new ATOM 499 N GLY A 34 7.761 -17.730 0.698 1.00 0.00 N ATOM 500 CA GLY A 34 6.732 -17.039 -0.058 1.00 0.00 C ATOM 501 C GLY A 34 5.464 -17.889 -0.167 1.00 0.00 C ATOM 502 O GLY A 34 4.977 -18.147 -1.266 1.00 0.00 O ATOM 0 H GLY A 34 8.524 -18.105 0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.497 -16.090 0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.104 -16.806 -1.056 1.00 0.00 H new ATOM 506 N GLN A 35 4.967 -18.302 0.990 1.00 0.00 N ATOM 507 CA GLN A 35 3.766 -19.118 1.041 1.00 0.00 C ATOM 508 C GLN A 35 3.474 -19.546 2.479 1.00 0.00 C ATOM 509 O GLN A 35 3.075 -20.684 2.724 1.00 0.00 O ATOM 510 CB GLN A 35 3.892 -20.335 0.121 1.00 0.00 C ATOM 511 CG GLN A 35 3.141 -20.109 -1.193 1.00 0.00 C ATOM 512 CD GLN A 35 1.877 -20.969 -1.257 1.00 0.00 C ATOM 513 OE1 GLN A 35 0.786 -20.541 -0.915 1.00 0.00 O ATOM 514 NE2 GLN A 35 2.083 -22.201 -1.713 1.00 0.00 N ATOM 0 H GLN A 35 5.375 -18.086 1.900 1.00 0.00 H new ATOM 0 HA GLN A 35 2.928 -18.519 0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.944 -20.531 -0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.496 -21.218 0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.874 -19.056 -1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.792 -20.349 -2.034 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.022 -22.495 -1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.302 -22.852 -1.794 1.00 0.00 H new ATOM 523 N ASP A 36 3.684 -18.612 3.395 1.00 0.00 N ATOM 524 CA ASP A 36 3.449 -18.878 4.804 1.00 0.00 C ATOM 525 C ASP A 36 3.340 -17.553 5.558 1.00 0.00 C ATOM 526 O ASP A 36 2.325 -17.280 6.199 1.00 0.00 O ATOM 527 CB ASP A 36 4.603 -19.676 5.415 1.00 0.00 C ATOM 528 CG ASP A 36 4.191 -20.957 6.142 1.00 0.00 C ATOM 529 OD1 ASP A 36 3.117 -21.491 5.787 1.00 0.00 O ATOM 530 OD2 ASP A 36 4.959 -21.375 7.036 1.00 0.00 O ATOM 0 H ASP A 36 4.015 -17.669 3.189 1.00 0.00 H new ATOM 0 HA ASP A 36 2.528 -19.455 4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.305 -19.936 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.137 -19.034 6.116 1.00 0.00 H new ATOM 535 N LYS A 37 4.398 -16.763 5.457 1.00 0.00 N ATOM 536 CA LYS A 37 4.435 -15.471 6.122 1.00 0.00 C ATOM 537 C LYS A 37 4.871 -14.399 5.122 1.00 0.00 C ATOM 538 O LYS A 37 4.174 -13.402 4.933 1.00 0.00 O ATOM 539 CB LYS A 37 5.313 -15.536 7.373 1.00 0.00 C ATOM 540 CG LYS A 37 4.459 -15.669 8.635 1.00 0.00 C ATOM 541 CD LYS A 37 5.270 -16.267 9.788 1.00 0.00 C ATOM 542 CE LYS A 37 5.181 -17.796 9.784 1.00 0.00 C ATOM 543 NZ LYS A 37 4.054 -18.251 10.627 1.00 0.00 N ATOM 0 H LYS A 37 5.237 -16.992 4.924 1.00 0.00 H new ATOM 0 HA LYS A 37 3.440 -15.196 6.472 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.995 -16.383 7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.927 -14.638 7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.077 -14.690 8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.595 -16.300 8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.312 -15.959 9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.900 -15.880 10.737 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.048 -18.156 8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.114 -18.222 10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.008 -19.290 10.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.197 -17.924 11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.164 -17.860 10.257 1.00 0.00 H new ATOM 557 N LEU A 38 6.019 -14.640 4.507 1.00 0.00 N ATOM 558 CA LEU A 38 6.555 -13.708 3.530 1.00 0.00 C ATOM 559 C LEU A 38 5.407 -13.124 2.704 1.00 0.00 C ATOM 560 O LEU A 38 4.670 -13.861 2.051 1.00 0.00 O ATOM 561 CB LEU A 38 7.639 -14.380 2.686 1.00 0.00 C ATOM 562 CG LEU A 38 8.196 -13.553 1.525 1.00 0.00 C ATOM 563 CD1 LEU A 38 7.270 -13.627 0.309 1.00 0.00 C ATOM 564 CD2 LEU A 38 8.462 -12.111 1.956 1.00 0.00 C ATOM 0 H LEU A 38 6.593 -15.468 4.666 1.00 0.00 H new ATOM 0 HA LEU A 38 7.045 -12.873 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.466 -14.651 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.234 -15.308 2.283 1.00 0.00 H new ATOM 0 HG LEU A 38 9.154 -13.980 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.687 -13.031 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.175 -14.664 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.287 -13.239 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.857 -11.546 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.532 -11.655 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.187 -12.102 2.770 1.00 0.00 H new ATOM 576 N GLY A 39 5.290 -11.806 2.760 1.00 0.00 N ATOM 577 CA GLY A 39 4.243 -11.116 2.024 1.00 0.00 C ATOM 578 C GLY A 39 3.936 -9.757 2.657 1.00 0.00 C ATOM 579 O GLY A 39 4.146 -9.561 3.852 1.00 0.00 O ATOM 0 H GLY A 39 5.902 -11.197 3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.552 -10.978 0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.340 -11.727 2.009 1.00 0.00 H new ATOM 583 N ILE A 40 3.442 -8.851 1.823 1.00 0.00 N ATOM 584 CA ILE A 40 3.103 -7.516 2.286 1.00 0.00 C ATOM 585 C ILE A 40 1.589 -7.415 2.469 1.00 0.00 C ATOM 586 O ILE A 40 0.831 -8.148 1.835 1.00 0.00 O ATOM 587 CB ILE A 40 3.680 -6.460 1.341 1.00 0.00 C ATOM 588 CG1 ILE A 40 4.960 -6.964 0.671 1.00 0.00 C ATOM 589 CG2 ILE A 40 3.899 -5.133 2.072 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.316 -6.107 -0.545 1.00 0.00 C ATOM 0 H ILE A 40 3.269 -9.016 0.831 1.00 0.00 H new ATOM 0 HA ILE A 40 3.556 -7.323 3.258 1.00 0.00 H new ATOM 0 HB ILE A 40 2.954 -6.276 0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.782 -6.945 1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.830 -8.002 0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.310 -4.399 1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.948 -4.771 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.596 -5.283 2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.230 -6.487 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.503 -6.148 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.470 -5.075 -0.230 1.00 0.00 H new ATOM 602 N TYR A 41 1.189 -6.498 3.339 1.00 0.00 N ATOM 603 CA TYR A 41 -0.223 -6.291 3.615 1.00 0.00 C ATOM 604 C TYR A 41 -0.467 -4.905 4.215 1.00 0.00 C ATOM 605 O TYR A 41 0.472 -4.236 4.643 1.00 0.00 O ATOM 606 CB TYR A 41 -0.613 -7.354 4.643 1.00 0.00 C ATOM 607 CG TYR A 41 -0.280 -8.785 4.216 1.00 0.00 C ATOM 608 CD1 TYR A 41 -1.057 -9.421 3.267 1.00 0.00 C ATOM 609 CD2 TYR A 41 0.798 -9.440 4.776 1.00 0.00 C ATOM 610 CE1 TYR A 41 -0.742 -10.767 2.866 1.00 0.00 C ATOM 611 CE2 TYR A 41 1.112 -10.787 4.375 1.00 0.00 C ATOM 612 CZ TYR A 41 0.327 -11.384 3.439 1.00 0.00 C ATOM 613 OH TYR A 41 0.624 -12.654 3.059 1.00 0.00 O ATOM 0 H TYR A 41 1.819 -5.890 3.862 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.807 -6.363 2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.105 -7.139 5.583 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.684 -7.283 4.835 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.900 -8.909 2.827 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.407 -8.942 5.516 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.341 -11.276 2.126 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.952 -11.311 4.808 1.00 0.00 H new ATOM 0 HH TYR A 41 1.412 -12.966 3.550 1.00 0.00 H new ATOM 623 N VAL A 42 -1.734 -4.514 4.226 1.00 0.00 N ATOM 624 CA VAL A 42 -2.112 -3.220 4.767 1.00 0.00 C ATOM 625 C VAL A 42 -2.725 -3.412 6.156 1.00 0.00 C ATOM 626 O VAL A 42 -3.683 -4.167 6.316 1.00 0.00 O ATOM 627 CB VAL A 42 -3.050 -2.502 3.794 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.813 -1.378 4.499 1.00 0.00 C ATOM 629 CG2 VAL A 42 -2.280 -1.969 2.583 1.00 0.00 C ATOM 0 H VAL A 42 -2.511 -5.071 3.869 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.235 -2.583 4.884 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.780 -3.227 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.473 -0.883 3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.406 -1.795 5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.105 -0.654 4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.970 -1.463 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.518 -1.265 2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.803 -2.799 2.061 1.00 0.00 H new ATOM 639 N LYS A 43 -2.146 -2.717 7.123 1.00 0.00 N ATOM 640 CA LYS A 43 -2.622 -2.801 8.493 1.00 0.00 C ATOM 641 C LYS A 43 -3.841 -1.893 8.661 1.00 0.00 C ATOM 642 O LYS A 43 -4.901 -2.343 9.090 1.00 0.00 O ATOM 643 CB LYS A 43 -1.488 -2.497 9.474 1.00 0.00 C ATOM 644 CG LYS A 43 -2.002 -2.469 10.914 1.00 0.00 C ATOM 645 CD LYS A 43 -1.344 -1.341 11.711 1.00 0.00 C ATOM 646 CE LYS A 43 -0.880 -1.834 13.082 1.00 0.00 C ATOM 647 NZ LYS A 43 0.443 -1.261 13.419 1.00 0.00 N ATOM 0 H LYS A 43 -1.351 -2.093 6.985 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.946 -3.816 8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.707 -3.251 9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.036 -1.536 9.227 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.084 -2.336 10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.798 -3.426 11.395 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.493 -0.948 11.155 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.050 -0.520 11.836 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.609 -1.553 13.842 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.822 -2.922 13.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.743 -1.606 14.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.139 -1.551 12.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.377 -0.223 13.438 1.00 0.00 H new ATOM 661 N SER A 44 -3.648 -0.628 8.313 1.00 0.00 N ATOM 662 CA SER A 44 -4.719 0.348 8.422 1.00 0.00 C ATOM 663 C SER A 44 -4.187 1.746 8.101 1.00 0.00 C ATOM 664 O SER A 44 -2.984 1.930 7.918 1.00 0.00 O ATOM 665 CB SER A 44 -5.347 0.326 9.817 1.00 0.00 C ATOM 666 OG SER A 44 -4.410 -0.058 10.818 1.00 0.00 O ATOM 0 H SER A 44 -2.767 -0.258 7.956 1.00 0.00 H new ATOM 0 HA SER A 44 -5.494 0.086 7.702 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.744 1.314 10.052 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.189 -0.366 9.824 1.00 0.00 H new ATOM 0 HG SER A 44 -4.849 -0.058 11.694 1.00 0.00 H new ATOM 672 N VAL A 45 -5.107 2.698 8.044 1.00 0.00 N ATOM 673 CA VAL A 45 -4.747 4.073 7.747 1.00 0.00 C ATOM 674 C VAL A 45 -4.613 4.853 9.058 1.00 0.00 C ATOM 675 O VAL A 45 -5.296 4.551 10.034 1.00 0.00 O ATOM 676 CB VAL A 45 -5.765 4.687 6.786 1.00 0.00 C ATOM 677 CG1 VAL A 45 -5.247 6.005 6.206 1.00 0.00 C ATOM 678 CG2 VAL A 45 -6.130 3.704 5.671 1.00 0.00 C ATOM 0 H VAL A 45 -6.103 2.543 8.199 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.782 4.115 7.242 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.671 4.903 7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.991 6.420 5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.061 6.711 7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.319 5.824 5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.856 4.166 5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.234 3.442 5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.561 2.803 6.107 1.00 0.00 H new ATOM 688 N VAL A 46 -3.731 5.840 9.034 1.00 0.00 N ATOM 689 CA VAL A 46 -3.500 6.666 10.207 1.00 0.00 C ATOM 690 C VAL A 46 -4.766 7.467 10.519 1.00 0.00 C ATOM 691 O VAL A 46 -4.918 7.990 11.622 1.00 0.00 O ATOM 692 CB VAL A 46 -2.271 7.551 9.991 1.00 0.00 C ATOM 693 CG1 VAL A 46 -2.218 8.679 11.025 1.00 0.00 C ATOM 694 CG2 VAL A 46 -0.986 6.721 10.019 1.00 0.00 C ATOM 0 H VAL A 46 -3.167 6.087 8.221 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.287 6.043 11.076 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.355 8.005 9.004 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.335 9.293 10.849 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.112 9.296 10.937 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.169 8.252 12.027 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.127 7.374 9.863 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.894 6.225 10.985 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.020 5.971 9.228 1.00 0.00 H new ATOM 704 N LYS A 47 -5.643 7.538 9.528 1.00 0.00 N ATOM 705 CA LYS A 47 -6.890 8.264 9.682 1.00 0.00 C ATOM 706 C LYS A 47 -6.600 9.766 9.709 1.00 0.00 C ATOM 707 O LYS A 47 -7.407 10.549 10.207 1.00 0.00 O ATOM 708 CB LYS A 47 -7.656 7.763 10.910 1.00 0.00 C ATOM 709 CG LYS A 47 -9.040 8.405 10.992 1.00 0.00 C ATOM 710 CD LYS A 47 -10.142 7.362 10.793 1.00 0.00 C ATOM 711 CE LYS A 47 -11.465 7.839 11.397 1.00 0.00 C ATOM 712 NZ LYS A 47 -12.553 7.743 10.399 1.00 0.00 N ATOM 0 H LYS A 47 -5.513 7.103 8.614 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.545 8.080 8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.756 6.679 10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.091 7.992 11.814 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.163 8.889 11.961 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.129 9.183 10.234 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.274 7.166 9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.845 6.421 11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.711 7.236 12.271 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.366 8.870 11.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.444 8.070 10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.323 8.337 9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.658 6.754 10.094 1.00 0.00 H new ATOM 726 N GLY A 48 -5.444 10.123 9.169 1.00 0.00 N ATOM 727 CA GLY A 48 -5.037 11.517 9.125 1.00 0.00 C ATOM 728 C GLY A 48 -3.949 11.738 8.071 1.00 0.00 C ATOM 729 O GLY A 48 -2.838 12.151 8.399 1.00 0.00 O ATOM 0 H GLY A 48 -4.776 9.471 8.758 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.899 12.144 8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.668 11.823 10.104 1.00 0.00 H new ATOM 733 N GLY A 49 -4.309 11.455 6.829 1.00 0.00 N ATOM 734 CA GLY A 49 -3.378 11.616 5.725 1.00 0.00 C ATOM 735 C GLY A 49 -4.122 11.892 4.416 1.00 0.00 C ATOM 736 O GLY A 49 -5.351 11.909 4.389 1.00 0.00 O ATOM 0 H GLY A 49 -5.233 11.115 6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.694 12.437 5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.773 10.715 5.621 1.00 0.00 H new ATOM 740 N ALA A 50 -3.344 12.102 3.364 1.00 0.00 N ATOM 741 CA ALA A 50 -3.915 12.377 2.055 1.00 0.00 C ATOM 742 C ALA A 50 -4.629 11.124 1.542 1.00 0.00 C ATOM 743 O ALA A 50 -5.848 11.125 1.374 1.00 0.00 O ATOM 744 CB ALA A 50 -2.811 12.847 1.106 1.00 0.00 C ATOM 0 H ALA A 50 -2.324 12.087 3.391 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.654 13.176 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.238 13.053 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.354 13.754 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.053 12.069 1.015 1.00 0.00 H new ATOM 750 N ALA A 51 -3.840 10.086 1.308 1.00 0.00 N ATOM 751 CA ALA A 51 -4.382 8.829 0.819 1.00 0.00 C ATOM 752 C ALA A 51 -5.259 8.199 1.902 1.00 0.00 C ATOM 753 O ALA A 51 -5.940 7.206 1.655 1.00 0.00 O ATOM 754 CB ALA A 51 -3.235 7.911 0.388 1.00 0.00 C ATOM 0 H ALA A 51 -2.830 10.089 1.448 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.011 8.997 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.641 6.968 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.662 8.392 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.584 7.718 1.240 1.00 0.00 H new ATOM 760 N ASP A 52 -5.213 8.803 3.079 1.00 0.00 N ATOM 761 CA ASP A 52 -5.995 8.313 4.203 1.00 0.00 C ATOM 762 C ASP A 52 -7.465 8.682 3.994 1.00 0.00 C ATOM 763 O ASP A 52 -8.332 7.811 3.998 1.00 0.00 O ATOM 764 CB ASP A 52 -5.529 8.948 5.516 1.00 0.00 C ATOM 765 CG ASP A 52 -6.650 9.297 6.498 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.522 8.425 6.699 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.609 10.430 7.024 1.00 0.00 O ATOM 0 H ASP A 52 -4.647 9.627 3.280 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.866 7.232 4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.836 8.265 6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.972 9.856 5.286 1.00 0.00 H new ATOM 772 N VAL A 53 -7.698 9.975 3.819 1.00 0.00 N ATOM 773 CA VAL A 53 -9.049 10.468 3.610 1.00 0.00 C ATOM 774 C VAL A 53 -9.437 10.275 2.144 1.00 0.00 C ATOM 775 O VAL A 53 -10.595 10.001 1.835 1.00 0.00 O ATOM 776 CB VAL A 53 -9.148 11.926 4.066 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.609 12.370 4.168 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.416 12.137 5.394 1.00 0.00 C ATOM 0 H VAL A 53 -6.975 10.695 3.818 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.760 9.902 4.212 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.661 12.546 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.652 13.409 4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.087 12.276 3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.131 11.742 4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.502 13.181 5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.860 11.501 6.159 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.364 11.879 5.274 1.00 0.00 H new ATOM 788 N ASP A 54 -8.444 10.421 1.277 1.00 0.00 N ATOM 789 CA ASP A 54 -8.668 10.265 -0.150 1.00 0.00 C ATOM 790 C ASP A 54 -8.733 8.775 -0.491 1.00 0.00 C ATOM 791 O ASP A 54 -9.747 8.294 -0.997 1.00 0.00 O ATOM 792 CB ASP A 54 -7.527 10.885 -0.958 1.00 0.00 C ATOM 793 CG ASP A 54 -7.631 10.701 -2.473 1.00 0.00 C ATOM 794 OD1 ASP A 54 -7.529 9.535 -2.912 1.00 0.00 O ATOM 795 OD2 ASP A 54 -7.812 11.730 -3.158 1.00 0.00 O ATOM 0 H ASP A 54 -7.483 10.646 1.536 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.602 10.767 -0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.485 11.952 -0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.586 10.453 -0.619 1.00 0.00 H new ATOM 800 N GLY A 55 -7.640 8.085 -0.203 1.00 0.00 N ATOM 801 CA GLY A 55 -7.560 6.661 -0.472 1.00 0.00 C ATOM 802 C GLY A 55 -8.679 5.902 0.247 1.00 0.00 C ATOM 803 O GLY A 55 -9.472 5.210 -0.387 1.00 0.00 O ATOM 0 H GLY A 55 -6.801 8.487 0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.629 6.486 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.591 6.280 -0.148 1.00 0.00 H new ATOM 807 N ARG A 56 -8.704 6.059 1.564 1.00 0.00 N ATOM 808 CA ARG A 56 -9.711 5.401 2.376 1.00 0.00 C ATOM 809 C ARG A 56 -9.671 3.888 2.147 1.00 0.00 C ATOM 810 O ARG A 56 -10.714 3.248 2.022 1.00 0.00 O ATOM 811 CB ARG A 56 -11.112 5.922 2.048 1.00 0.00 C ATOM 812 CG ARG A 56 -12.118 5.503 3.123 1.00 0.00 C ATOM 813 CD ARG A 56 -13.551 5.804 2.680 1.00 0.00 C ATOM 814 NE ARG A 56 -13.896 7.208 2.997 1.00 0.00 N ATOM 815 CZ ARG A 56 -13.619 8.248 2.199 1.00 0.00 C ATOM 816 NH1 ARG A 56 -12.994 8.048 1.031 1.00 0.00 N ATOM 817 NH2 ARG A 56 -13.969 9.488 2.568 1.00 0.00 N ATOM 0 H ARG A 56 -8.042 6.633 2.087 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.490 5.621 3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.090 7.009 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.429 5.538 1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.013 4.438 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.903 6.030 4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.653 5.629 1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.244 5.129 3.181 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.375 7.396 3.878 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.729 7.104 0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.783 8.840 0.423 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.446 9.640 3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.758 10.280 1.960 1.00 0.00 H new ATOM 831 N LEU A 57 -8.456 3.362 2.097 1.00 0.00 N ATOM 832 CA LEU A 57 -8.266 1.937 1.885 1.00 0.00 C ATOM 833 C LEU A 57 -8.695 1.176 3.141 1.00 0.00 C ATOM 834 O LEU A 57 -8.931 1.781 4.185 1.00 0.00 O ATOM 835 CB LEU A 57 -6.828 1.647 1.452 1.00 0.00 C ATOM 836 CG LEU A 57 -6.388 2.273 0.127 1.00 0.00 C ATOM 837 CD1 LEU A 57 -4.902 2.640 0.162 1.00 0.00 C ATOM 838 CD2 LEU A 57 -6.725 1.359 -1.052 1.00 0.00 C ATOM 0 H LEU A 57 -7.594 3.897 2.200 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.898 1.586 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.156 1.995 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.702 0.567 1.380 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.946 3.198 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.614 3.083 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.723 3.356 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.310 1.742 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.401 1.829 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.213 0.405 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.801 1.191 -1.086 1.00 0.00 H new ATOM 850 N ALA A 58 -8.783 -0.138 2.998 1.00 0.00 N ATOM 851 CA ALA A 58 -9.180 -0.986 4.109 1.00 0.00 C ATOM 852 C ALA A 58 -7.954 -1.739 4.632 1.00 0.00 C ATOM 853 O ALA A 58 -6.890 -1.702 4.018 1.00 0.00 O ATOM 854 CB ALA A 58 -10.295 -1.931 3.656 1.00 0.00 C ATOM 0 H ALA A 58 -8.586 -0.636 2.130 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.574 -0.386 4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.593 -2.568 4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.152 -1.348 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.935 -2.552 2.836 1.00 0.00 H new ATOM 860 N ALA A 59 -8.146 -2.406 5.760 1.00 0.00 N ATOM 861 CA ALA A 59 -7.071 -3.166 6.374 1.00 0.00 C ATOM 862 C ALA A 59 -7.155 -4.622 5.913 1.00 0.00 C ATOM 863 O ALA A 59 -8.206 -5.251 6.019 1.00 0.00 O ATOM 864 CB ALA A 59 -7.152 -3.030 7.896 1.00 0.00 C ATOM 0 H ALA A 59 -9.031 -2.436 6.266 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.101 -2.777 6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.345 -3.601 8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.058 -1.980 8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.111 -3.412 8.245 1.00 0.00 H new ATOM 870 N GLY A 60 -6.032 -5.116 5.410 1.00 0.00 N ATOM 871 CA GLY A 60 -5.966 -6.485 4.933 1.00 0.00 C ATOM 872 C GLY A 60 -5.576 -6.532 3.454 1.00 0.00 C ATOM 873 O GLY A 60 -5.615 -7.594 2.832 1.00 0.00 O ATOM 0 H GLY A 60 -5.162 -4.591 5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.240 -7.045 5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.932 -6.970 5.074 1.00 0.00 H new ATOM 877 N ASP A 61 -5.209 -5.371 2.935 1.00 0.00 N ATOM 878 CA ASP A 61 -4.811 -5.265 1.541 1.00 0.00 C ATOM 879 C ASP A 61 -3.408 -5.851 1.370 1.00 0.00 C ATOM 880 O ASP A 61 -2.433 -5.290 1.866 1.00 0.00 O ATOM 881 CB ASP A 61 -4.774 -3.807 1.088 1.00 0.00 C ATOM 882 CG ASP A 61 -5.937 -2.944 1.582 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.062 -3.489 1.640 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.677 -1.762 1.893 1.00 0.00 O ATOM 0 H ASP A 61 -5.179 -4.494 3.455 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.539 -5.809 0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.840 -3.360 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.760 -3.782 -0.002 1.00 0.00 H new ATOM 889 N GLN A 62 -3.350 -6.970 0.664 1.00 0.00 N ATOM 890 CA GLN A 62 -2.082 -7.637 0.421 1.00 0.00 C ATOM 891 C GLN A 62 -1.263 -6.862 -0.613 1.00 0.00 C ATOM 892 O GLN A 62 -1.679 -6.726 -1.764 1.00 0.00 O ATOM 893 CB GLN A 62 -2.300 -9.084 -0.027 1.00 0.00 C ATOM 894 CG GLN A 62 -0.982 -9.727 -0.463 1.00 0.00 C ATOM 895 CD GLN A 62 -1.194 -11.187 -0.872 1.00 0.00 C ATOM 896 OE1 GLN A 62 -2.283 -11.729 -0.793 1.00 0.00 O ATOM 897 NE2 GLN A 62 -0.093 -11.791 -1.310 1.00 0.00 N ATOM 0 H GLN A 62 -4.161 -7.432 0.252 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.522 -7.660 1.356 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.737 -9.659 0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.012 -9.110 -0.852 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.560 -9.169 -1.299 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.260 -9.675 0.352 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.788 -11.278 -1.351 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.130 -12.767 -1.605 1.00 0.00 H new ATOM 906 N LEU A 63 -0.116 -6.372 -0.168 1.00 0.00 N ATOM 907 CA LEU A 63 0.763 -5.613 -1.040 1.00 0.00 C ATOM 908 C LEU A 63 1.858 -6.536 -1.581 1.00 0.00 C ATOM 909 O LEU A 63 2.183 -7.548 -0.963 1.00 0.00 O ATOM 910 CB LEU A 63 1.303 -4.378 -0.315 1.00 0.00 C ATOM 911 CG LEU A 63 2.276 -3.507 -1.109 1.00 0.00 C ATOM 912 CD1 LEU A 63 1.552 -2.322 -1.752 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.448 -3.055 -0.233 1.00 0.00 C ATOM 0 H LEU A 63 0.225 -6.486 0.786 1.00 0.00 H new ATOM 0 HA LEU A 63 0.211 -5.233 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.457 -3.760 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.801 -4.706 0.597 1.00 0.00 H new ATOM 0 HG LEU A 63 2.691 -4.109 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.267 -1.718 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.781 -2.690 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.091 -1.712 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.125 -2.437 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.070 -2.477 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.984 -3.929 0.137 1.00 0.00 H new ATOM 925 N LEU A 64 2.398 -6.151 -2.728 1.00 0.00 N ATOM 926 CA LEU A 64 3.449 -6.931 -3.359 1.00 0.00 C ATOM 927 C LEU A 64 4.416 -5.989 -4.077 1.00 0.00 C ATOM 928 O LEU A 64 5.628 -6.196 -4.049 1.00 0.00 O ATOM 929 CB LEU A 64 2.847 -8.005 -4.268 1.00 0.00 C ATOM 930 CG LEU A 64 2.166 -9.177 -3.561 1.00 0.00 C ATOM 931 CD1 LEU A 64 0.663 -9.191 -3.847 1.00 0.00 C ATOM 932 CD2 LEU A 64 2.832 -10.504 -3.930 1.00 0.00 C ATOM 0 H LEU A 64 2.127 -5.309 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 64 4.027 -7.469 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.118 -7.530 -4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.639 -8.401 -4.904 1.00 0.00 H new ATOM 0 HG LEU A 64 2.289 -9.044 -2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.203 -10.034 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.217 -8.262 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.498 -9.287 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.328 -11.320 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.763 -10.659 -5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.881 -10.480 -3.633 1.00 0.00 H new ATOM 944 N SER A 65 3.843 -4.971 -4.705 1.00 0.00 N ATOM 945 CA SER A 65 4.640 -3.995 -5.431 1.00 0.00 C ATOM 946 C SER A 65 4.620 -2.654 -4.696 1.00 0.00 C ATOM 947 O SER A 65 3.739 -2.405 -3.874 1.00 0.00 O ATOM 948 CB SER A 65 4.130 -3.824 -6.863 1.00 0.00 C ATOM 949 OG SER A 65 3.805 -2.467 -7.154 1.00 0.00 O ATOM 0 H SER A 65 2.837 -4.801 -4.726 1.00 0.00 H new ATOM 0 HA SER A 65 5.666 -4.359 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.889 -4.173 -7.563 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.249 -4.448 -7.011 1.00 0.00 H new ATOM 0 HG SER A 65 3.485 -2.398 -8.078 1.00 0.00 H new ATOM 955 N VAL A 66 5.601 -1.824 -5.018 1.00 0.00 N ATOM 956 CA VAL A 66 5.708 -0.514 -4.397 1.00 0.00 C ATOM 957 C VAL A 66 5.898 0.545 -5.484 1.00 0.00 C ATOM 958 O VAL A 66 6.125 0.213 -6.648 1.00 0.00 O ATOM 959 CB VAL A 66 6.833 -0.516 -3.362 1.00 0.00 C ATOM 960 CG1 VAL A 66 8.193 -0.293 -4.028 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.578 0.529 -2.274 1.00 0.00 C ATOM 0 H VAL A 66 6.329 -2.033 -5.701 1.00 0.00 H new ATOM 0 HA VAL A 66 4.792 -0.269 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 66 6.850 -1.497 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.975 -0.299 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.380 -1.089 -4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.193 0.668 -4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.393 0.507 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.521 1.519 -2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.638 0.306 -1.769 1.00 0.00 H new ATOM 971 N ASP A 67 5.798 1.800 -5.069 1.00 0.00 N ATOM 972 CA ASP A 67 5.955 2.909 -5.993 1.00 0.00 C ATOM 973 C ASP A 67 7.424 3.020 -6.403 1.00 0.00 C ATOM 974 O ASP A 67 8.314 3.005 -5.554 1.00 0.00 O ATOM 975 CB ASP A 67 5.546 4.231 -5.340 1.00 0.00 C ATOM 976 CG ASP A 67 5.539 5.440 -6.278 1.00 0.00 C ATOM 977 OD1 ASP A 67 6.237 5.361 -7.311 1.00 0.00 O ATOM 978 OD2 ASP A 67 4.836 6.416 -5.939 1.00 0.00 O ATOM 0 H ASP A 67 5.610 2.072 -4.104 1.00 0.00 H new ATOM 0 HA ASP A 67 5.318 2.721 -6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.550 4.115 -4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.225 4.436 -4.513 1.00 0.00 H new ATOM 983 N GLY A 68 7.634 3.130 -7.708 1.00 0.00 N ATOM 984 CA GLY A 68 8.982 3.243 -8.242 1.00 0.00 C ATOM 985 C GLY A 68 9.685 1.884 -8.246 1.00 0.00 C ATOM 986 O GLY A 68 10.797 1.758 -8.761 1.00 0.00 O ATOM 0 H GLY A 68 6.894 3.143 -8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.943 3.640 -9.257 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.556 3.952 -7.645 1.00 0.00 H new ATOM 990 N ARG A 69 9.011 0.903 -7.667 1.00 0.00 N ATOM 991 CA ARG A 69 9.557 -0.443 -7.598 1.00 0.00 C ATOM 992 C ARG A 69 8.428 -1.475 -7.599 1.00 0.00 C ATOM 993 O ARG A 69 7.617 -1.512 -6.674 1.00 0.00 O ATOM 994 CB ARG A 69 10.410 -0.627 -6.341 1.00 0.00 C ATOM 995 CG ARG A 69 11.803 -0.025 -6.529 1.00 0.00 C ATOM 996 CD ARG A 69 11.843 1.427 -6.051 1.00 0.00 C ATOM 997 NE ARG A 69 12.889 2.174 -6.785 1.00 0.00 N ATOM 998 CZ ARG A 69 14.204 1.998 -6.604 1.00 0.00 C ATOM 999 NH1 ARG A 69 14.644 1.100 -5.712 1.00 0.00 N ATOM 1000 NH2 ARG A 69 15.082 2.721 -7.314 1.00 0.00 N ATOM 0 H ARG A 69 8.091 1.012 -7.241 1.00 0.00 H new ATOM 0 HA ARG A 69 10.187 -0.591 -8.475 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.918 -0.154 -5.491 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.497 -1.688 -6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.535 -0.614 -5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 69 12.085 -0.073 -7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.872 1.897 -6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.044 1.460 -4.980 1.00 0.00 H new ATOM 0 HE ARG A 69 12.589 2.866 -7.472 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.977 0.550 -5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.646 0.966 -5.575 1.00 0.00 H new ATOM 0 HH21 ARG A 69 14.748 3.406 -7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.084 2.586 -7.176 1.00 0.00 H new ATOM 1014 N SER A 70 8.413 -2.289 -8.644 1.00 0.00 N ATOM 1015 CA SER A 70 7.397 -3.319 -8.775 1.00 0.00 C ATOM 1016 C SER A 70 7.840 -4.587 -8.044 1.00 0.00 C ATOM 1017 O SER A 70 8.069 -5.622 -8.670 1.00 0.00 O ATOM 1018 CB SER A 70 7.113 -3.627 -10.246 1.00 0.00 C ATOM 1019 OG SER A 70 8.174 -4.357 -10.855 1.00 0.00 O ATOM 0 H SER A 70 9.088 -2.256 -9.408 1.00 0.00 H new ATOM 0 HA SER A 70 6.476 -2.950 -8.324 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.188 -4.199 -10.324 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.958 -2.694 -10.788 1.00 0.00 H new ATOM 0 HG SER A 70 8.341 -5.178 -10.346 1.00 0.00 H new ATOM 1025 N LEU A 71 7.952 -4.466 -6.729 1.00 0.00 N ATOM 1026 CA LEU A 71 8.365 -5.590 -5.905 1.00 0.00 C ATOM 1027 C LEU A 71 7.754 -6.877 -6.465 1.00 0.00 C ATOM 1028 O LEU A 71 8.471 -7.834 -6.756 1.00 0.00 O ATOM 1029 CB LEU A 71 8.021 -5.334 -4.437 1.00 0.00 C ATOM 1030 CG LEU A 71 9.085 -4.602 -3.618 1.00 0.00 C ATOM 1031 CD1 LEU A 71 9.145 -3.120 -3.995 1.00 0.00 C ATOM 1032 CD2 LEU A 71 8.856 -4.802 -2.118 1.00 0.00 C ATOM 0 H LEU A 71 7.764 -3.606 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 71 9.448 -5.709 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.098 -4.756 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.819 -6.293 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 71 10.057 -5.035 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.910 -2.623 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.391 -3.023 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.177 -2.656 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.626 -4.271 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.875 -4.412 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.903 -5.865 -1.881 1.00 0.00 H new ATOM 1044 N VAL A 72 6.437 -6.860 -6.598 1.00 0.00 N ATOM 1045 CA VAL A 72 5.721 -8.014 -7.115 1.00 0.00 C ATOM 1046 C VAL A 72 5.487 -9.015 -5.984 1.00 0.00 C ATOM 1047 O VAL A 72 4.804 -10.020 -6.170 1.00 0.00 O ATOM 1048 CB VAL A 72 6.485 -8.615 -8.297 1.00 0.00 C ATOM 1049 CG1 VAL A 72 7.328 -9.813 -7.853 1.00 0.00 C ATOM 1050 CG2 VAL A 72 5.529 -9.007 -9.427 1.00 0.00 C ATOM 0 H VAL A 72 5.846 -6.065 -6.357 1.00 0.00 H new ATOM 0 HA VAL A 72 4.742 -7.718 -7.492 1.00 0.00 H new ATOM 0 HB VAL A 72 7.162 -7.852 -8.680 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.861 -10.221 -8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.047 -9.493 -7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.678 -10.579 -7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.098 -9.431 -10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.816 -9.745 -9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.992 -8.124 -9.772 1.00 0.00 H new ATOM 1060 N GLY A 73 6.070 -8.707 -4.833 1.00 0.00 N ATOM 1061 CA GLY A 73 5.934 -9.567 -3.671 1.00 0.00 C ATOM 1062 C GLY A 73 7.238 -9.622 -2.874 1.00 0.00 C ATOM 1063 O GLY A 73 7.767 -10.703 -2.617 1.00 0.00 O ATOM 0 H GLY A 73 6.638 -7.873 -4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.130 -9.199 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.655 -10.572 -3.988 1.00 0.00 H new ATOM 1067 N LEU A 74 7.720 -8.443 -2.506 1.00 0.00 N ATOM 1068 CA LEU A 74 8.953 -8.345 -1.743 1.00 0.00 C ATOM 1069 C LEU A 74 8.656 -7.713 -0.383 1.00 0.00 C ATOM 1070 O LEU A 74 7.529 -7.296 -0.120 1.00 0.00 O ATOM 1071 CB LEU A 74 10.022 -7.603 -2.547 1.00 0.00 C ATOM 1072 CG LEU A 74 10.814 -8.443 -3.549 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.836 -7.586 -4.297 1.00 0.00 C ATOM 1074 CD2 LEU A 74 11.465 -9.644 -2.862 1.00 0.00 C ATOM 0 H LEU A 74 7.279 -7.549 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 74 9.363 -9.336 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.541 -6.788 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.725 -7.150 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 74 10.119 -8.835 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.385 -8.208 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.320 -6.793 -4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.532 -7.145 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.022 -10.225 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.144 -9.294 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.693 -10.270 -2.414 1.00 0.00 H new ATOM 1086 N SER A 75 9.687 -7.662 0.448 1.00 0.00 N ATOM 1087 CA SER A 75 9.553 -7.088 1.775 1.00 0.00 C ATOM 1088 C SER A 75 9.432 -5.565 1.678 1.00 0.00 C ATOM 1089 O SER A 75 9.674 -4.986 0.620 1.00 0.00 O ATOM 1090 CB SER A 75 10.736 -7.470 2.665 1.00 0.00 C ATOM 1091 OG SER A 75 11.617 -8.383 2.018 1.00 0.00 O ATOM 0 H SER A 75 10.620 -8.010 0.227 1.00 0.00 H new ATOM 0 HA SER A 75 8.648 -7.490 2.230 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.286 -6.571 2.943 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.366 -7.916 3.588 1.00 0.00 H new ATOM 0 HG SER A 75 12.360 -8.601 2.618 1.00 0.00 H new ATOM 1097 N GLN A 76 9.059 -4.959 2.796 1.00 0.00 N ATOM 1098 CA GLN A 76 8.904 -3.516 2.850 1.00 0.00 C ATOM 1099 C GLN A 76 10.269 -2.841 3.001 1.00 0.00 C ATOM 1100 O GLN A 76 10.382 -1.623 2.871 1.00 0.00 O ATOM 1101 CB GLN A 76 7.962 -3.107 3.981 1.00 0.00 C ATOM 1102 CG GLN A 76 8.738 -2.852 5.276 1.00 0.00 C ATOM 1103 CD GLN A 76 9.703 -4.001 5.573 1.00 0.00 C ATOM 1104 OE1 GLN A 76 9.498 -5.136 5.174 1.00 0.00 O ATOM 1105 NE2 GLN A 76 10.762 -3.647 6.293 1.00 0.00 N ATOM 0 H GLN A 76 8.860 -5.442 3.672 1.00 0.00 H new ATOM 0 HA GLN A 76 8.457 -3.183 1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.416 -2.207 3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.222 -3.891 4.144 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.294 -1.918 5.193 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.040 -2.735 6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.873 -2.679 6.595 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.464 -4.343 6.544 1.00 0.00 H new ATOM 1114 N GLU A 77 11.273 -3.662 3.275 1.00 0.00 N ATOM 1115 CA GLU A 77 12.626 -3.160 3.446 1.00 0.00 C ATOM 1116 C GLU A 77 12.933 -2.091 2.393 1.00 0.00 C ATOM 1117 O GLU A 77 13.027 -0.909 2.715 1.00 0.00 O ATOM 1118 CB GLU A 77 13.645 -4.299 3.384 1.00 0.00 C ATOM 1119 CG GLU A 77 13.383 -5.329 4.484 1.00 0.00 C ATOM 1120 CD GLU A 77 14.692 -5.786 5.131 1.00 0.00 C ATOM 1121 OE1 GLU A 77 15.296 -4.950 5.839 1.00 0.00 O ATOM 1122 OE2 GLU A 77 15.060 -6.958 4.903 1.00 0.00 O ATOM 0 H GLU A 77 11.176 -4.672 3.383 1.00 0.00 H new ATOM 0 HA GLU A 77 12.701 -2.703 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.596 -4.783 2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.652 -3.897 3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.730 -4.898 5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.861 -6.189 4.065 1.00 0.00 H new ATOM 1129 N ARG A 78 13.079 -2.549 1.159 1.00 0.00 N ATOM 1130 CA ARG A 78 13.373 -1.646 0.058 1.00 0.00 C ATOM 1131 C ARG A 78 12.213 -0.671 -0.155 1.00 0.00 C ATOM 1132 O ARG A 78 12.398 0.543 -0.079 1.00 0.00 O ATOM 1133 CB ARG A 78 13.621 -2.422 -1.238 1.00 0.00 C ATOM 1134 CG ARG A 78 14.609 -3.568 -1.010 1.00 0.00 C ATOM 1135 CD ARG A 78 13.994 -4.909 -1.414 1.00 0.00 C ATOM 1136 NE ARG A 78 14.585 -5.374 -2.688 1.00 0.00 N ATOM 1137 CZ ARG A 78 14.609 -6.655 -3.083 1.00 0.00 C ATOM 1138 NH1 ARG A 78 14.075 -7.606 -2.304 1.00 0.00 N ATOM 1139 NH2 ARG A 78 15.167 -6.985 -4.255 1.00 0.00 N ATOM 0 H ARG A 78 13.000 -3.531 0.897 1.00 0.00 H new ATOM 0 HA ARG A 78 14.275 -1.091 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.678 -2.819 -1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.010 -1.748 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.516 -3.391 -1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.900 -3.599 0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.168 -5.648 -0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.914 -4.806 -1.521 1.00 0.00 H new ATOM 0 HE ARG A 78 15.000 -4.676 -3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.651 -7.355 -1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.093 -8.581 -2.604 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.574 -6.262 -4.848 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.185 -7.960 -4.555 1.00 0.00 H new ATOM 1153 N ALA A 79 11.045 -1.240 -0.414 1.00 0.00 N ATOM 1154 CA ALA A 79 9.855 -0.435 -0.637 1.00 0.00 C ATOM 1155 C ALA A 79 9.787 0.672 0.418 1.00 0.00 C ATOM 1156 O ALA A 79 10.175 1.808 0.156 1.00 0.00 O ATOM 1157 CB ALA A 79 8.618 -1.336 -0.615 1.00 0.00 C ATOM 0 H ALA A 79 10.897 -2.247 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 79 9.894 0.044 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.726 -0.733 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.701 -2.087 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.545 -1.831 0.354 1.00 0.00 H new ATOM 1163 N ALA A 80 9.292 0.301 1.589 1.00 0.00 N ATOM 1164 CA ALA A 80 9.168 1.247 2.685 1.00 0.00 C ATOM 1165 C ALA A 80 9.884 2.547 2.312 1.00 0.00 C ATOM 1166 O ALA A 80 9.242 3.527 1.937 1.00 0.00 O ATOM 1167 CB ALA A 80 9.727 0.621 3.965 1.00 0.00 C ATOM 0 H ALA A 80 8.971 -0.643 1.803 1.00 0.00 H new ATOM 0 HA ALA A 80 8.121 1.487 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.634 1.330 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.168 -0.284 4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.778 0.371 3.819 1.00 0.00 H new ATOM 1173 N GLU A 81 11.203 2.513 2.426 1.00 0.00 N ATOM 1174 CA GLU A 81 12.011 3.677 2.104 1.00 0.00 C ATOM 1175 C GLU A 81 11.503 4.341 0.824 1.00 0.00 C ATOM 1176 O GLU A 81 10.990 5.458 0.860 1.00 0.00 O ATOM 1177 CB GLU A 81 13.490 3.300 1.977 1.00 0.00 C ATOM 1178 CG GLU A 81 14.366 4.549 1.865 1.00 0.00 C ATOM 1179 CD GLU A 81 15.696 4.352 2.594 1.00 0.00 C ATOM 1180 OE1 GLU A 81 16.569 3.675 2.009 1.00 0.00 O ATOM 1181 OE2 GLU A 81 15.810 4.882 3.721 1.00 0.00 O ATOM 0 H GLU A 81 11.732 1.698 2.737 1.00 0.00 H new ATOM 0 HA GLU A 81 11.921 4.393 2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.795 2.714 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.634 2.670 1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.552 4.774 0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.840 5.406 2.286 1.00 0.00 H new ATOM 1188 N LEU A 82 11.661 3.625 -0.279 1.00 0.00 N ATOM 1189 CA LEU A 82 11.223 4.129 -1.570 1.00 0.00 C ATOM 1190 C LEU A 82 9.696 4.071 -1.643 1.00 0.00 C ATOM 1191 O LEU A 82 9.119 4.193 -2.724 1.00 0.00 O ATOM 1192 CB LEU A 82 11.924 3.379 -2.704 1.00 0.00 C ATOM 1193 CG LEU A 82 12.154 4.172 -3.992 1.00 0.00 C ATOM 1194 CD1 LEU A 82 10.887 4.925 -4.406 1.00 0.00 C ATOM 1195 CD2 LEU A 82 13.357 5.109 -3.852 1.00 0.00 C ATOM 0 H LEU A 82 12.087 2.699 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 82 11.508 5.174 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.890 3.029 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.335 2.494 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 82 12.386 3.467 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.078 5.481 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.079 4.213 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.601 5.618 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.499 5.661 -4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.179 5.811 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.251 4.524 -3.638 1.00 0.00 H new ATOM 1207 N MET A 83 9.086 3.883 -0.484 1.00 0.00 N ATOM 1208 CA MET A 83 7.637 3.808 -0.403 1.00 0.00 C ATOM 1209 C MET A 83 7.083 4.865 0.554 1.00 0.00 C ATOM 1210 O MET A 83 5.872 5.046 0.650 1.00 0.00 O ATOM 1211 CB MET A 83 7.225 2.416 0.079 1.00 0.00 C ATOM 1212 CG MET A 83 5.732 2.172 -0.159 1.00 0.00 C ATOM 1213 SD MET A 83 5.296 0.517 0.348 1.00 0.00 S ATOM 1214 CE MET A 83 5.185 0.754 2.114 1.00 0.00 C ATOM 0 H MET A 83 9.569 3.780 0.409 1.00 0.00 H new ATOM 0 HA MET A 83 7.227 3.996 -1.395 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.809 1.659 -0.444 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.449 2.314 1.141 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.143 2.899 0.399 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.496 2.312 -1.214 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.769 -0.014 2.622 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.575 1.738 2.374 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.143 0.683 2.426 1.00 0.00 H new ATOM 1224 N THR A 84 8.000 5.534 1.238 1.00 0.00 N ATOM 1225 CA THR A 84 7.620 6.570 2.186 1.00 0.00 C ATOM 1226 C THR A 84 7.861 7.956 1.586 1.00 0.00 C ATOM 1227 O THR A 84 6.986 8.817 1.633 1.00 0.00 O ATOM 1228 CB THR A 84 8.390 6.327 3.485 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.437 4.907 3.602 1.00 0.00 O ATOM 1230 CG2 THR A 84 7.608 6.776 4.721 1.00 0.00 C ATOM 0 H THR A 84 9.005 5.379 1.155 1.00 0.00 H new ATOM 0 HA THR A 84 6.554 6.529 2.411 1.00 0.00 H new ATOM 0 HB THR A 84 9.343 6.855 3.446 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.177 4.559 3.063 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.199 6.581 5.616 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.397 7.843 4.650 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.670 6.224 4.778 1.00 0.00 H new ATOM 1238 N ARG A 85 9.054 8.127 1.035 1.00 0.00 N ATOM 1239 CA ARG A 85 9.422 9.395 0.426 1.00 0.00 C ATOM 1240 C ARG A 85 8.556 9.664 -0.806 1.00 0.00 C ATOM 1241 O ARG A 85 9.072 9.809 -1.913 1.00 0.00 O ATOM 1242 CB ARG A 85 10.896 9.401 0.015 1.00 0.00 C ATOM 1243 CG ARG A 85 11.444 10.828 -0.036 1.00 0.00 C ATOM 1244 CD ARG A 85 12.671 10.977 0.867 1.00 0.00 C ATOM 1245 NE ARG A 85 12.482 12.117 1.793 1.00 0.00 N ATOM 1246 CZ ARG A 85 12.654 13.400 1.449 1.00 0.00 C ATOM 1247 NH1 ARG A 85 13.020 13.715 0.199 1.00 0.00 N ATOM 1248 NH2 ARG A 85 12.462 14.368 2.354 1.00 0.00 N ATOM 0 H ARG A 85 9.778 7.409 0.997 1.00 0.00 H new ATOM 0 HA ARG A 85 9.259 10.178 1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.477 8.809 0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.007 8.930 -0.962 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.710 11.083 -1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.671 11.530 0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.829 10.060 1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.563 11.135 0.260 1.00 0.00 H new ATOM 0 HE ARG A 85 12.203 11.912 2.753 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.168 12.978 -0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.151 14.692 -0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.185 14.128 3.306 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.593 15.345 2.092 1.00 0.00 H new ATOM 1262 N THR A 86 7.252 9.720 -0.573 1.00 0.00 N ATOM 1263 CA THR A 86 6.309 9.968 -1.650 1.00 0.00 C ATOM 1264 C THR A 86 6.144 11.473 -1.880 1.00 0.00 C ATOM 1265 O THR A 86 6.321 11.957 -2.996 1.00 0.00 O ATOM 1266 CB THR A 86 4.998 9.261 -1.304 1.00 0.00 C ATOM 1267 OG1 THR A 86 4.991 8.111 -2.145 1.00 0.00 O ATOM 1268 CG2 THR A 86 3.767 10.055 -1.746 1.00 0.00 C ATOM 0 H THR A 86 6.827 9.598 0.346 1.00 0.00 H new ATOM 0 HA THR A 86 6.674 9.564 -2.594 1.00 0.00 H new ATOM 0 HB THR A 86 4.951 9.092 -0.228 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.868 8.388 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.864 9.507 -1.476 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.764 11.026 -1.251 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.795 10.198 -2.826 1.00 0.00 H new ATOM 1276 N SER A 87 5.812 12.169 -0.802 1.00 0.00 N ATOM 1277 CA SER A 87 5.621 13.609 -0.873 1.00 0.00 C ATOM 1278 C SER A 87 5.131 14.004 -2.266 1.00 0.00 C ATOM 1279 O SER A 87 5.674 14.920 -2.883 1.00 0.00 O ATOM 1280 CB SER A 87 6.917 14.352 -0.535 1.00 0.00 C ATOM 1281 OG SER A 87 7.001 14.673 0.851 1.00 0.00 O ATOM 0 H SER A 87 5.671 11.764 0.123 1.00 0.00 H new ATOM 0 HA SER A 87 4.868 13.892 -0.137 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.772 13.737 -0.817 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.974 15.268 -1.124 1.00 0.00 H new ATOM 0 HG SER A 87 7.842 15.144 1.027 1.00 0.00 H new ATOM 1287 N SER A 88 4.110 13.295 -2.722 1.00 0.00 N ATOM 1288 CA SER A 88 3.539 13.563 -4.032 1.00 0.00 C ATOM 1289 C SER A 88 2.458 12.527 -4.352 1.00 0.00 C ATOM 1290 O SER A 88 1.279 12.866 -4.449 1.00 0.00 O ATOM 1291 CB SER A 88 4.620 13.555 -5.115 1.00 0.00 C ATOM 1292 OG SER A 88 5.222 14.834 -5.278 1.00 0.00 O ATOM 0 H SER A 88 3.663 12.535 -2.209 1.00 0.00 H new ATOM 0 HA SER A 88 3.089 14.555 -4.014 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.386 12.824 -4.857 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.182 13.237 -6.061 1.00 0.00 H new ATOM 0 HG SER A 88 5.671 15.093 -4.446 1.00 0.00 H new ATOM 1298 N VAL A 89 2.899 11.288 -4.508 1.00 0.00 N ATOM 1299 CA VAL A 89 1.984 10.201 -4.817 1.00 0.00 C ATOM 1300 C VAL A 89 2.578 8.883 -4.317 1.00 0.00 C ATOM 1301 O VAL A 89 3.794 8.758 -4.184 1.00 0.00 O ATOM 1302 CB VAL A 89 1.673 10.188 -6.314 1.00 0.00 C ATOM 1303 CG1 VAL A 89 2.934 9.903 -7.133 1.00 0.00 C ATOM 1304 CG2 VAL A 89 0.570 9.177 -6.637 1.00 0.00 C ATOM 0 H VAL A 89 3.877 11.012 -4.426 1.00 0.00 H new ATOM 0 HA VAL A 89 1.033 10.344 -4.304 1.00 0.00 H new ATOM 0 HB VAL A 89 1.310 11.178 -6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.685 9.899 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.677 10.676 -6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.339 8.931 -6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.368 9.188 -7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.892 8.179 -6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.337 9.443 -6.094 1.00 0.00 H new ATOM 1314 N VAL A 90 1.692 7.933 -4.054 1.00 0.00 N ATOM 1315 CA VAL A 90 2.114 6.629 -3.573 1.00 0.00 C ATOM 1316 C VAL A 90 1.444 5.539 -4.412 1.00 0.00 C ATOM 1317 O VAL A 90 0.261 5.254 -4.237 1.00 0.00 O ATOM 1318 CB VAL A 90 1.815 6.501 -2.078 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.099 6.592 -1.251 1.00 0.00 C ATOM 1320 CG2 VAL A 90 0.800 7.555 -1.631 1.00 0.00 C ATOM 0 H VAL A 90 0.684 8.041 -4.165 1.00 0.00 H new ATOM 0 HA VAL A 90 3.192 6.510 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 90 1.376 5.518 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.857 6.498 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.776 5.789 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.579 7.554 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.605 7.443 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.200 8.550 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.129 7.424 -2.186 1.00 0.00 H new ATOM 1330 N THR A 91 2.230 4.958 -5.308 1.00 0.00 N ATOM 1331 CA THR A 91 1.728 3.907 -6.174 1.00 0.00 C ATOM 1332 C THR A 91 2.250 2.543 -5.715 1.00 0.00 C ATOM 1333 O THR A 91 3.440 2.257 -5.833 1.00 0.00 O ATOM 1334 CB THR A 91 2.117 4.253 -7.613 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.409 4.842 -7.491 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.253 5.370 -8.200 1.00 0.00 C ATOM 0 H THR A 91 3.211 5.196 -5.452 1.00 0.00 H new ATOM 0 HA THR A 91 0.641 3.839 -6.123 1.00 0.00 H new ATOM 0 HB THR A 91 2.032 3.363 -8.236 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.058 4.315 -8.002 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.570 5.577 -9.222 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.208 5.060 -8.200 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.364 6.271 -7.597 1.00 0.00 H new ATOM 1344 N LEU A 92 1.332 1.737 -5.201 1.00 0.00 N ATOM 1345 CA LEU A 92 1.684 0.410 -4.724 1.00 0.00 C ATOM 1346 C LEU A 92 0.661 -0.602 -5.242 1.00 0.00 C ATOM 1347 O LEU A 92 -0.451 -0.230 -5.616 1.00 0.00 O ATOM 1348 CB LEU A 92 1.831 0.412 -3.201 1.00 0.00 C ATOM 1349 CG LEU A 92 1.764 1.779 -2.521 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.328 1.645 -1.060 1.00 0.00 C ATOM 1351 CD2 LEU A 92 3.093 2.526 -2.654 1.00 0.00 C ATOM 0 H LEU A 92 0.345 1.977 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 92 2.656 0.109 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.049 -0.219 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.785 -0.051 -2.948 1.00 0.00 H new ATOM 0 HG LEU A 92 1.007 2.375 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.289 2.632 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.341 1.184 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.043 1.023 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.017 3.495 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.886 1.943 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.324 2.673 -3.709 1.00 0.00 H new ATOM 1363 N GLU A 93 1.073 -1.861 -5.248 1.00 0.00 N ATOM 1364 CA GLU A 93 0.206 -2.930 -5.714 1.00 0.00 C ATOM 1365 C GLU A 93 -0.370 -3.703 -4.526 1.00 0.00 C ATOM 1366 O GLU A 93 0.360 -4.401 -3.823 1.00 0.00 O ATOM 1367 CB GLU A 93 0.951 -3.864 -6.669 1.00 0.00 C ATOM 1368 CG GLU A 93 -0.022 -4.579 -7.607 1.00 0.00 C ATOM 1369 CD GLU A 93 0.588 -5.875 -8.145 1.00 0.00 C ATOM 1370 OE1 GLU A 93 1.369 -6.492 -7.391 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.259 -6.221 -9.301 1.00 0.00 O ATOM 0 H GLU A 93 1.996 -2.165 -4.938 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.621 -2.485 -6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.672 -3.292 -7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.517 -4.599 -6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.948 -4.801 -7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.281 -3.922 -8.438 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.673 -3.554 -4.339 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.353 -4.231 -3.247 1.00 0.00 C ATOM 1380 C VAL A 94 -3.397 -5.192 -3.821 1.00 0.00 C ATOM 1381 O VAL A 94 -3.835 -5.031 -4.959 1.00 0.00 O ATOM 1382 CB VAL A 94 -2.952 -3.202 -2.287 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -1.863 -2.549 -1.434 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -3.761 -2.150 -3.045 1.00 0.00 C ATOM 0 H VAL A 94 -2.276 -2.975 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.648 -4.826 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.633 -3.726 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.316 -1.822 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.350 -3.314 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.146 -2.046 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.176 -1.431 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.113 -1.632 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.573 -2.636 -3.586 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.764 -6.170 -3.006 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.749 -7.157 -3.419 1.00 0.00 C ATOM 1396 C ALA A 95 -5.862 -7.229 -2.370 1.00 0.00 C ATOM 1397 O ALA A 95 -5.593 -7.417 -1.185 1.00 0.00 O ATOM 1398 CB ALA A 95 -4.061 -8.505 -3.631 1.00 0.00 C ATOM 0 H ALA A 95 -3.398 -6.301 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.206 -6.871 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.799 -9.245 -3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.299 -8.407 -4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.594 -8.826 -2.700 1.00 0.00 H new ATOM 1404 N LYS A 96 -7.090 -7.076 -2.847 1.00 0.00 N ATOM 1405 CA LYS A 96 -8.244 -7.122 -1.966 1.00 0.00 C ATOM 1406 C LYS A 96 -8.182 -8.393 -1.116 1.00 0.00 C ATOM 1407 O LYS A 96 -8.189 -8.324 0.112 1.00 0.00 O ATOM 1408 CB LYS A 96 -9.538 -6.983 -2.770 1.00 0.00 C ATOM 1409 CG LYS A 96 -10.244 -5.665 -2.450 1.00 0.00 C ATOM 1410 CD LYS A 96 -11.342 -5.872 -1.404 1.00 0.00 C ATOM 1411 CE LYS A 96 -10.773 -5.782 0.013 1.00 0.00 C ATOM 1412 NZ LYS A 96 -11.851 -5.944 1.015 1.00 0.00 N ATOM 0 H LYS A 96 -7.310 -6.920 -3.831 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.231 -6.277 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.315 -7.030 -3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.201 -7.819 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.518 -4.939 -2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.677 -5.250 -3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.121 -5.121 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.810 -6.845 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.016 -6.553 0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.280 -4.820 0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.448 -5.880 1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.560 -5.194 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.304 -6.872 0.891 1.00 0.00 H new ATOM 1426 N GLN A 97 -8.125 -9.524 -1.804 1.00 0.00 N ATOM 1427 CA GLN A 97 -8.062 -10.809 -1.127 1.00 0.00 C ATOM 1428 C GLN A 97 -7.181 -10.710 0.119 1.00 0.00 C ATOM 1429 O GLN A 97 -5.997 -10.387 0.022 1.00 0.00 O ATOM 1430 CB GLN A 97 -7.556 -11.901 -2.072 1.00 0.00 C ATOM 1431 CG GLN A 97 -8.525 -13.085 -2.111 1.00 0.00 C ATOM 1432 CD GLN A 97 -9.213 -13.185 -3.473 1.00 0.00 C ATOM 1433 OE1 GLN A 97 -9.404 -12.207 -4.176 1.00 0.00 O ATOM 1434 NE2 GLN A 97 -9.572 -14.422 -3.808 1.00 0.00 N ATOM 0 H GLN A 97 -8.121 -9.578 -2.823 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.069 -11.083 -0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.436 -11.492 -3.075 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.573 -12.242 -1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.985 -14.009 -1.904 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.275 -12.972 -1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.383 -15.198 -3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.037 -14.594 -4.700 1.00 0.00 H new ATOM 1443 N GLY A 98 -7.791 -10.995 1.260 1.00 0.00 N ATOM 1444 CA GLY A 98 -7.076 -10.942 2.524 1.00 0.00 C ATOM 1445 C GLY A 98 -7.906 -10.229 3.594 1.00 0.00 C ATOM 1446 O GLY A 98 -8.773 -9.417 3.272 1.00 0.00 O ATOM 0 H GLY A 98 -8.772 -11.263 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.840 -11.953 2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -6.128 -10.422 2.388 1.00 0.00 H new ATOM 1450 N ALA A 99 -7.613 -10.560 4.843 1.00 0.00 N ATOM 1451 CA ALA A 99 -8.320 -9.961 5.961 1.00 0.00 C ATOM 1452 C ALA A 99 -7.551 -10.239 7.254 1.00 0.00 C ATOM 1453 O ALA A 99 -7.561 -11.361 7.757 1.00 0.00 O ATOM 1454 CB ALA A 99 -9.752 -10.502 6.007 1.00 0.00 C ATOM 0 H ALA A 99 -6.895 -11.236 5.105 1.00 0.00 H new ATOM 0 HA ALA A 99 -8.382 -8.879 5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.284 -10.053 6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.265 -10.254 5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.728 -11.585 6.130 1.00 0.00 H new ATOM 1460 N ILE A 100 -6.903 -9.196 7.755 1.00 0.00 N ATOM 1461 CA ILE A 100 -6.129 -9.314 8.979 1.00 0.00 C ATOM 1462 C ILE A 100 -6.965 -8.807 10.156 1.00 0.00 C ATOM 1463 O ILE A 100 -7.426 -9.594 10.981 1.00 0.00 O ATOM 1464 CB ILE A 100 -4.782 -8.606 8.831 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -3.871 -9.358 7.858 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -4.118 -8.400 10.194 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -2.479 -8.724 7.808 1.00 0.00 C ATOM 0 H ILE A 100 -6.899 -8.266 7.335 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.893 -10.359 9.182 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.961 -7.618 8.407 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.789 -10.401 8.164 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.313 -9.352 6.862 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.162 -7.894 10.060 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.765 -7.791 10.826 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.954 -9.367 10.669 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.852 -9.278 7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.563 -7.688 7.479 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.030 -8.754 8.801 1.00 0.00 H new ATOM 1479 N TYR A 101 -7.136 -7.493 10.196 1.00 0.00 N ATOM 1480 CA TYR A 101 -7.909 -6.872 11.257 1.00 0.00 C ATOM 1481 C TYR A 101 -8.175 -5.396 10.950 1.00 0.00 C ATOM 1482 O TYR A 101 -9.144 -5.066 10.269 1.00 0.00 O ATOM 1483 CB TYR A 101 -7.046 -6.968 12.519 1.00 0.00 C ATOM 1484 CG TYR A 101 -7.405 -5.947 13.597 1.00 0.00 C ATOM 1485 CD1 TYR A 101 -8.678 -5.921 14.129 1.00 0.00 C ATOM 1486 CD2 TYR A 101 -6.456 -5.048 14.041 1.00 0.00 C ATOM 1487 CE1 TYR A 101 -9.017 -4.959 15.146 1.00 0.00 C ATOM 1488 CE2 TYR A 101 -6.793 -4.085 15.057 1.00 0.00 C ATOM 1489 CZ TYR A 101 -8.056 -4.088 15.559 1.00 0.00 C ATOM 1490 OH TYR A 101 -8.376 -3.180 16.520 1.00 0.00 O ATOM 0 H TYR A 101 -6.752 -6.842 9.511 1.00 0.00 H new ATOM 0 HA TYR A 101 -8.873 -7.368 11.369 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.141 -7.970 12.936 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.000 -6.836 12.242 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -9.422 -6.623 13.782 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -5.459 -5.067 13.626 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -10.010 -4.929 15.571 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.059 -3.377 15.412 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.594 -2.624 16.718 1.00 0.00 H new TER 1500 TYR A 101