USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 LYS NZ :NH3+ -155:sc= 2.37 (180deg=1.16) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= -1.15! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0305 K(o=-0.03,f=-0.84) USER MOD Single : A 17 ASN : amide:sc= -1.52 K(o=-1.5,f=0.41) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= -0.781 (180deg=-2.49!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= -0.119 (180deg=-0.119) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 41 SER OG : rot 30:sc= 0.191 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.84 X(o=-0.84,f=-0.59) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -2.68 K(o=-2.7,f=-0.085) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 98:sc= 0.39 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -86:sc= 0.107 USER MOD Single : A 83 SER OG : rot -12:sc= -0.118 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0503 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -150:sc= -0.997 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.320 30.937 -1.344 1.00 0.00 N ATOM 2 CA GLY A 1 3.045 30.890 -2.601 1.00 0.00 C ATOM 3 C GLY A 1 4.464 30.384 -2.434 1.00 0.00 C ATOM 4 O GLY A 1 5.423 31.105 -2.708 1.00 0.00 O ATOM 0 H1 GLY A 1 1.356 31.289 -1.512 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.273 29.982 -0.934 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.811 31.573 -0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.513 30.245 -3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.068 31.887 -3.041 1.00 0.00 H new ATOM 8 N SER A 2 4.598 29.142 -1.980 1.00 0.00 N ATOM 9 CA SER A 2 5.911 28.542 -1.771 1.00 0.00 C ATOM 10 C SER A 2 6.748 29.386 -0.815 1.00 0.00 C ATOM 11 O SER A 2 7.923 29.651 -1.069 1.00 0.00 O ATOM 12 CB SER A 2 6.642 28.387 -3.106 1.00 0.00 C ATOM 13 OG SER A 2 5.785 27.849 -4.098 1.00 0.00 O ATOM 0 H SER A 2 3.814 28.532 -1.750 1.00 0.00 H new ATOM 0 HA SER A 2 5.767 27.557 -1.327 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.018 29.356 -3.433 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.507 27.737 -2.977 1.00 0.00 H new ATOM 0 HG SER A 2 6.276 27.762 -4.942 1.00 0.00 H new ATOM 19 N SER A 3 6.133 29.806 0.286 1.00 0.00 N ATOM 20 CA SER A 3 6.819 30.623 1.280 1.00 0.00 C ATOM 21 C SER A 3 8.233 30.106 1.527 1.00 0.00 C ATOM 22 O SER A 3 9.189 30.879 1.577 1.00 0.00 O ATOM 23 CB SER A 3 6.032 30.636 2.592 1.00 0.00 C ATOM 24 OG SER A 3 6.585 31.562 3.510 1.00 0.00 O ATOM 0 H SER A 3 5.161 29.594 0.512 1.00 0.00 H new ATOM 0 HA SER A 3 6.885 31.640 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.992 30.894 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.035 29.638 3.031 1.00 0.00 H new ATOM 0 HG SER A 3 6.063 31.552 4.339 1.00 0.00 H new ATOM 30 N GLY A 4 8.356 28.791 1.682 1.00 0.00 N ATOM 31 CA GLY A 4 9.656 28.192 1.922 1.00 0.00 C ATOM 32 C GLY A 4 9.567 26.702 2.186 1.00 0.00 C ATOM 33 O GLY A 4 8.893 26.269 3.120 1.00 0.00 O ATOM 0 H GLY A 4 7.579 28.131 1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.298 28.367 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.127 28.682 2.775 1.00 0.00 H new ATOM 37 N SER A 5 10.249 25.914 1.360 1.00 0.00 N ATOM 38 CA SER A 5 10.240 24.464 1.506 1.00 0.00 C ATOM 39 C SER A 5 11.535 23.974 2.147 1.00 0.00 C ATOM 40 O SER A 5 12.603 24.545 1.929 1.00 0.00 O ATOM 41 CB SER A 5 10.048 23.794 0.143 1.00 0.00 C ATOM 42 OG SER A 5 11.077 24.165 -0.757 1.00 0.00 O ATOM 0 H SER A 5 10.814 26.256 0.583 1.00 0.00 H new ATOM 0 HA SER A 5 9.408 24.195 2.157 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.040 22.711 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.080 24.075 -0.271 1.00 0.00 H new ATOM 0 HG SER A 5 10.932 23.723 -1.619 1.00 0.00 H new ATOM 48 N SER A 6 11.430 22.912 2.940 1.00 0.00 N ATOM 49 CA SER A 6 12.591 22.346 3.617 1.00 0.00 C ATOM 50 C SER A 6 12.926 20.966 3.060 1.00 0.00 C ATOM 51 O SER A 6 13.313 20.063 3.800 1.00 0.00 O ATOM 52 CB SER A 6 12.335 22.253 5.122 1.00 0.00 C ATOM 53 OG SER A 6 12.744 23.437 5.784 1.00 0.00 O ATOM 0 H SER A 6 10.553 22.427 3.129 1.00 0.00 H new ATOM 0 HA SER A 6 13.441 23.005 3.440 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.274 22.079 5.303 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.873 21.399 5.533 1.00 0.00 H new ATOM 0 HG SER A 6 12.568 23.352 6.744 1.00 0.00 H new ATOM 59 N GLY A 7 12.773 20.811 1.748 1.00 0.00 N ATOM 60 CA GLY A 7 13.063 19.538 1.113 1.00 0.00 C ATOM 61 C GLY A 7 11.806 18.780 0.734 1.00 0.00 C ATOM 62 O GLY A 7 10.774 18.875 1.398 1.00 0.00 O ATOM 0 H GLY A 7 12.454 21.544 1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.664 19.709 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.663 18.927 1.788 1.00 0.00 H new ATOM 66 N PRO A 8 11.883 18.008 -0.360 1.00 0.00 N ATOM 67 CA PRO A 8 10.752 17.217 -0.853 1.00 0.00 C ATOM 68 C PRO A 8 10.418 16.048 0.068 1.00 0.00 C ATOM 69 O PRO A 8 11.202 15.667 0.937 1.00 0.00 O ATOM 70 CB PRO A 8 11.240 16.706 -2.210 1.00 0.00 C ATOM 71 CG PRO A 8 12.726 16.696 -2.099 1.00 0.00 C ATOM 72 CD PRO A 8 13.082 17.848 -1.201 1.00 0.00 C ATOM 0 HA PRO A 8 9.836 17.806 -0.909 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.852 15.709 -2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.908 17.355 -3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.080 15.753 -1.683 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.191 16.807 -3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.967 17.632 -0.602 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.296 18.752 -1.772 1.00 0.00 H new ATOM 80 N PRO A 9 9.226 15.464 -0.125 1.00 0.00 N ATOM 81 CA PRO A 9 8.761 14.329 0.678 1.00 0.00 C ATOM 82 C PRO A 9 9.543 13.054 0.386 1.00 0.00 C ATOM 83 O PRO A 9 9.690 12.656 -0.770 1.00 0.00 O ATOM 84 CB PRO A 9 7.299 14.169 0.254 1.00 0.00 C ATOM 85 CG PRO A 9 7.238 14.745 -1.118 1.00 0.00 C ATOM 86 CD PRO A 9 8.240 15.866 -1.142 1.00 0.00 C ATOM 0 HA PRO A 9 8.892 14.504 1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.998 13.121 0.257 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.629 14.695 0.934 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.477 13.992 -1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.237 15.112 -1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.698 15.974 -2.125 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.778 16.823 -0.898 1.00 0.00 H new ATOM 94 N ILE A 10 10.043 12.417 1.440 1.00 0.00 N ATOM 95 CA ILE A 10 10.809 11.185 1.295 1.00 0.00 C ATOM 96 C ILE A 10 10.150 10.036 2.051 1.00 0.00 C ATOM 97 O ILE A 10 9.846 10.155 3.239 1.00 0.00 O ATOM 98 CB ILE A 10 12.253 11.357 1.801 1.00 0.00 C ATOM 99 CG1 ILE A 10 12.958 12.473 1.028 1.00 0.00 C ATOM 100 CG2 ILE A 10 13.019 10.049 1.672 1.00 0.00 C ATOM 101 CD1 ILE A 10 14.041 13.168 1.823 1.00 0.00 C ATOM 0 H ILE A 10 9.931 12.734 2.403 1.00 0.00 H new ATOM 0 HA ILE A 10 10.832 10.951 0.231 1.00 0.00 H new ATOM 0 HB ILE A 10 12.223 11.634 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.396 12.055 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.219 13.210 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.038 10.187 2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.525 9.278 2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 10 13.044 9.743 0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.497 13.947 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.606 13.616 2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.801 12.443 2.114 1.00 0.00 H new ATOM 113 N ILE A 11 9.935 8.924 1.357 1.00 0.00 N ATOM 114 CA ILE A 11 9.316 7.752 1.964 1.00 0.00 C ATOM 115 C ILE A 11 10.337 6.934 2.746 1.00 0.00 C ATOM 116 O ILE A 11 10.915 5.980 2.224 1.00 0.00 O ATOM 117 CB ILE A 11 8.655 6.851 0.904 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.510 7.595 0.213 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.151 5.565 1.541 1.00 0.00 C ATOM 120 CD1 ILE A 11 7.030 6.921 -1.053 1.00 0.00 C ATOM 0 H ILE A 11 10.180 8.810 0.374 1.00 0.00 H new ATOM 0 HA ILE A 11 8.549 8.118 2.646 1.00 0.00 H new ATOM 0 HB ILE A 11 9.401 6.592 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.674 7.684 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.836 8.607 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.687 4.939 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.987 5.029 1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.417 5.804 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.218 7.503 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.853 6.856 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.673 5.918 -0.818 1.00 0.00 H new ATOM 132 N LEU A 12 10.554 7.311 4.001 1.00 0.00 N ATOM 133 CA LEU A 12 11.505 6.611 4.858 1.00 0.00 C ATOM 134 C LEU A 12 11.437 5.104 4.628 1.00 0.00 C ATOM 135 O LEU A 12 12.465 4.441 4.492 1.00 0.00 O ATOM 136 CB LEU A 12 11.225 6.926 6.328 1.00 0.00 C ATOM 137 CG LEU A 12 11.235 8.407 6.710 1.00 0.00 C ATOM 138 CD1 LEU A 12 10.662 8.602 8.105 1.00 0.00 C ATOM 139 CD2 LEU A 12 12.646 8.970 6.627 1.00 0.00 C ATOM 0 H LEU A 12 10.084 8.098 4.448 1.00 0.00 H new ATOM 0 HA LEU A 12 12.507 6.955 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.252 6.510 6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.966 6.409 6.937 1.00 0.00 H new ATOM 0 HG LEU A 12 10.607 8.949 6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.677 9.662 8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.635 8.237 8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.262 8.047 8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.634 10.025 6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.296 8.424 7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.020 8.865 5.609 1.00 0.00 H new ATOM 151 N GLN A 13 10.221 4.571 4.582 1.00 0.00 N ATOM 152 CA GLN A 13 10.020 3.143 4.367 1.00 0.00 C ATOM 153 C GLN A 13 8.646 2.871 3.763 1.00 0.00 C ATOM 154 O GLN A 13 7.628 2.960 4.447 1.00 0.00 O ATOM 155 CB GLN A 13 10.171 2.381 5.685 1.00 0.00 C ATOM 156 CG GLN A 13 10.021 0.875 5.537 1.00 0.00 C ATOM 157 CD GLN A 13 9.671 0.193 6.845 1.00 0.00 C ATOM 158 OE1 GLN A 13 8.890 0.714 7.641 1.00 0.00 O ATOM 159 NE2 GLN A 13 10.249 -0.981 7.073 1.00 0.00 N ATOM 0 H GLN A 13 9.360 5.106 4.691 1.00 0.00 H new ATOM 0 HA GLN A 13 10.779 2.797 3.666 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.150 2.600 6.112 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.426 2.744 6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.246 0.661 4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.951 0.457 5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.890 -1.376 6.385 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.051 -1.488 7.936 1.00 0.00 H new ATOM 168 N GLY A 14 8.626 2.541 2.475 1.00 0.00 N ATOM 169 CA GLY A 14 7.372 2.262 1.800 1.00 0.00 C ATOM 170 C GLY A 14 7.024 0.786 1.811 1.00 0.00 C ATOM 171 O GLY A 14 7.494 0.022 2.653 1.00 0.00 O ATOM 0 H GLY A 14 9.456 2.462 1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.571 2.825 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.432 2.610 0.769 1.00 0.00 H new ATOM 175 N PRO A 15 6.178 0.367 0.858 1.00 0.00 N ATOM 176 CA PRO A 15 5.747 -1.029 0.740 1.00 0.00 C ATOM 177 C PRO A 15 6.875 -1.947 0.281 1.00 0.00 C ATOM 178 O PRO A 15 8.005 -1.504 0.079 1.00 0.00 O ATOM 179 CB PRO A 15 4.641 -0.971 -0.316 1.00 0.00 C ATOM 180 CG PRO A 15 4.956 0.238 -1.128 1.00 0.00 C ATOM 181 CD PRO A 15 5.578 1.224 -0.179 1.00 0.00 C ATOM 0 HA PRO A 15 5.420 -1.437 1.697 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.634 -1.871 -0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.657 -0.893 0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.640 -0.005 -1.941 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.054 0.649 -1.582 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.328 1.840 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.835 1.902 0.240 1.00 0.00 H new ATOM 189 N ALA A 16 6.560 -3.228 0.118 1.00 0.00 N ATOM 190 CA ALA A 16 7.546 -4.207 -0.320 1.00 0.00 C ATOM 191 C ALA A 16 6.871 -5.429 -0.935 1.00 0.00 C ATOM 192 O ALA A 16 5.723 -5.739 -0.622 1.00 0.00 O ATOM 193 CB ALA A 16 8.431 -4.623 0.846 1.00 0.00 C ATOM 0 H ALA A 16 5.629 -3.611 0.283 1.00 0.00 H new ATOM 0 HA ALA A 16 8.167 -3.742 -1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.163 -5.355 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.949 -3.748 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.816 -5.064 1.630 1.00 0.00 H new ATOM 199 N ASN A 17 7.593 -6.117 -1.814 1.00 0.00 N ATOM 200 CA ASN A 17 7.062 -7.304 -2.475 1.00 0.00 C ATOM 201 C ASN A 17 6.804 -8.419 -1.466 1.00 0.00 C ATOM 202 O ASN A 17 7.737 -9.060 -0.983 1.00 0.00 O ATOM 203 CB ASN A 17 8.034 -7.791 -3.552 1.00 0.00 C ATOM 204 CG ASN A 17 9.476 -7.765 -3.084 1.00 0.00 C ATOM 205 OD1 ASN A 17 9.818 -8.350 -2.056 1.00 0.00 O ATOM 206 ND2 ASN A 17 10.331 -7.083 -3.838 1.00 0.00 N ATOM 0 H ASN A 17 8.546 -5.873 -2.085 1.00 0.00 H new ATOM 0 HA ASN A 17 6.115 -7.036 -2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.768 -8.807 -3.845 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.932 -7.166 -4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.314 -7.029 -3.573 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.004 -6.613 -4.682 1.00 0.00 H new ATOM 213 N GLN A 18 5.532 -8.644 -1.153 1.00 0.00 N ATOM 214 CA GLN A 18 5.152 -9.682 -0.202 1.00 0.00 C ATOM 215 C GLN A 18 4.201 -10.687 -0.843 1.00 0.00 C ATOM 216 O GLN A 18 3.403 -10.336 -1.713 1.00 0.00 O ATOM 217 CB GLN A 18 4.496 -9.057 1.031 1.00 0.00 C ATOM 218 CG GLN A 18 3.574 -7.893 0.706 1.00 0.00 C ATOM 219 CD GLN A 18 3.173 -7.104 1.937 1.00 0.00 C ATOM 220 OE1 GLN A 18 3.029 -7.662 3.025 1.00 0.00 O ATOM 221 NE2 GLN A 18 2.990 -5.800 1.771 1.00 0.00 N ATOM 0 H GLN A 18 4.748 -8.122 -1.544 1.00 0.00 H new ATOM 0 HA GLN A 18 6.056 -10.209 0.103 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.928 -9.824 1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.275 -8.714 1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.070 -7.228 -0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.678 -8.271 0.214 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.121 -5.380 0.851 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.719 -5.218 2.564 1.00 0.00 H new ATOM 230 N THR A 19 4.292 -11.940 -0.409 1.00 0.00 N ATOM 231 CA THR A 19 3.442 -12.997 -0.942 1.00 0.00 C ATOM 232 C THR A 19 2.496 -13.533 0.126 1.00 0.00 C ATOM 233 O THR A 19 2.865 -14.401 0.918 1.00 0.00 O ATOM 234 CB THR A 19 4.279 -14.163 -1.502 1.00 0.00 C ATOM 235 OG1 THR A 19 5.134 -13.693 -2.550 1.00 0.00 O ATOM 236 CG2 THR A 19 3.379 -15.270 -2.032 1.00 0.00 C ATOM 0 H THR A 19 4.946 -12.248 0.311 1.00 0.00 H new ATOM 0 HA THR A 19 2.860 -12.556 -1.751 1.00 0.00 H new ATOM 0 HB THR A 19 4.886 -14.567 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.664 -14.440 -2.899 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.992 -16.082 -2.422 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.750 -15.646 -1.225 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.749 -14.876 -2.829 1.00 0.00 H new ATOM 244 N LEU A 20 1.274 -13.012 0.143 1.00 0.00 N ATOM 245 CA LEU A 20 0.273 -13.439 1.114 1.00 0.00 C ATOM 246 C LEU A 20 -0.680 -14.460 0.502 1.00 0.00 C ATOM 247 O LEU A 20 -0.660 -14.696 -0.706 1.00 0.00 O ATOM 248 CB LEU A 20 -0.516 -12.232 1.627 1.00 0.00 C ATOM 249 CG LEU A 20 0.312 -11.098 2.233 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.516 -9.825 2.327 1.00 0.00 C ATOM 251 CD2 LEU A 20 0.840 -11.496 3.603 1.00 0.00 C ATOM 0 H LEU A 20 0.953 -12.293 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 20 0.791 -13.909 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.100 -11.827 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.225 -12.579 2.379 1.00 0.00 H new ATOM 0 HG LEU A 20 1.164 -10.906 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.089 -9.029 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.844 -9.530 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.387 -10.003 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.427 -10.677 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.003 -11.716 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.469 -12.381 3.507 1.00 0.00 H new ATOM 263 N ALA A 21 -1.514 -15.062 1.343 1.00 0.00 N ATOM 264 CA ALA A 21 -2.478 -16.055 0.884 1.00 0.00 C ATOM 265 C ALA A 21 -3.874 -15.453 0.770 1.00 0.00 C ATOM 266 O ALA A 21 -4.304 -14.688 1.633 1.00 0.00 O ATOM 267 CB ALA A 21 -2.491 -17.251 1.824 1.00 0.00 C ATOM 0 H ALA A 21 -1.542 -14.880 2.346 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.174 -16.390 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.215 -17.985 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.500 -17.703 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.768 -16.923 2.826 1.00 0.00 H new ATOM 273 N VAL A 22 -4.579 -15.803 -0.302 1.00 0.00 N ATOM 274 CA VAL A 22 -5.927 -15.298 -0.529 1.00 0.00 C ATOM 275 C VAL A 22 -6.803 -15.496 0.704 1.00 0.00 C ATOM 276 O VAL A 22 -6.508 -16.330 1.560 1.00 0.00 O ATOM 277 CB VAL A 22 -6.591 -15.991 -1.733 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.698 -17.489 -1.495 1.00 0.00 C ATOM 279 CG2 VAL A 22 -7.961 -15.387 -2.006 1.00 0.00 C ATOM 0 H VAL A 22 -4.238 -16.435 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.834 -14.232 -0.738 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.967 -15.831 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.170 -17.962 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.701 -17.907 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.300 -17.674 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.416 -15.889 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.596 -15.515 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.853 -14.325 -2.224 1.00 0.00 H new ATOM 289 N ASP A 23 -7.880 -14.724 0.787 1.00 0.00 N ATOM 290 CA ASP A 23 -8.801 -14.815 1.915 1.00 0.00 C ATOM 291 C ASP A 23 -8.098 -14.459 3.221 1.00 0.00 C ATOM 292 O ASP A 23 -8.352 -15.066 4.260 1.00 0.00 O ATOM 293 CB ASP A 23 -9.391 -16.223 2.006 1.00 0.00 C ATOM 294 CG ASP A 23 -10.006 -16.679 0.698 1.00 0.00 C ATOM 295 OD1 ASP A 23 -10.934 -16.001 0.209 1.00 0.00 O ATOM 296 OD2 ASP A 23 -9.558 -17.714 0.161 1.00 0.00 O ATOM 0 H ASP A 23 -8.138 -14.028 0.087 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.608 -14.101 1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.609 -16.923 2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.150 -16.246 2.788 1.00 0.00 H new ATOM 301 N GLY A 24 -7.211 -13.470 3.159 1.00 0.00 N ATOM 302 CA GLY A 24 -6.483 -13.051 4.343 1.00 0.00 C ATOM 303 C GLY A 24 -6.466 -11.544 4.509 1.00 0.00 C ATOM 304 O GLY A 24 -7.466 -10.872 4.256 1.00 0.00 O ATOM 0 H GLY A 24 -6.984 -12.952 2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.936 -13.506 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.459 -13.419 4.285 1.00 0.00 H new ATOM 308 N THR A 25 -5.326 -11.011 4.939 1.00 0.00 N ATOM 309 CA THR A 25 -5.183 -9.575 5.143 1.00 0.00 C ATOM 310 C THR A 25 -3.816 -9.088 4.678 1.00 0.00 C ATOM 311 O THR A 25 -2.785 -9.630 5.075 1.00 0.00 O ATOM 312 CB THR A 25 -5.375 -9.196 6.623 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.542 -9.839 7.147 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.505 -7.688 6.783 1.00 0.00 C ATOM 0 H THR A 25 -4.489 -11.553 5.153 1.00 0.00 H new ATOM 0 HA THR A 25 -5.959 -9.092 4.549 1.00 0.00 H new ATOM 0 HB THR A 25 -4.498 -9.530 7.177 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.656 -9.594 8.089 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.640 -7.444 7.837 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.602 -7.203 6.411 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.366 -7.335 6.216 1.00 0.00 H new ATOM 322 N ALA A 26 -3.814 -8.060 3.835 1.00 0.00 N ATOM 323 CA ALA A 26 -2.572 -7.498 3.318 1.00 0.00 C ATOM 324 C ALA A 26 -2.310 -6.115 3.905 1.00 0.00 C ATOM 325 O ALA A 26 -3.011 -5.153 3.592 1.00 0.00 O ATOM 326 CB ALA A 26 -2.616 -7.429 1.799 1.00 0.00 C ATOM 0 H ALA A 26 -4.659 -7.600 3.496 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.753 -8.152 3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.682 -7.007 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.749 -8.432 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.449 -6.798 1.487 1.00 0.00 H new ATOM 332 N LEU A 27 -1.296 -6.023 4.759 1.00 0.00 N ATOM 333 CA LEU A 27 -0.941 -4.757 5.391 1.00 0.00 C ATOM 334 C LEU A 27 0.251 -4.114 4.690 1.00 0.00 C ATOM 335 O LEU A 27 1.384 -4.580 4.815 1.00 0.00 O ATOM 336 CB LEU A 27 -0.620 -4.976 6.871 1.00 0.00 C ATOM 337 CG LEU A 27 -1.806 -4.905 7.833 1.00 0.00 C ATOM 338 CD1 LEU A 27 -2.478 -3.544 7.753 1.00 0.00 C ATOM 339 CD2 LEU A 27 -2.805 -6.013 7.530 1.00 0.00 C ATOM 0 H LEU A 27 -0.706 -6.810 5.029 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.795 -4.085 5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.148 -5.953 6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.115 -4.231 7.177 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.434 -5.045 8.848 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.320 -3.513 8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.761 -2.768 8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.836 -3.374 6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.643 -5.947 8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.171 -5.904 6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.318 -6.982 7.640 1.00 0.00 H new ATOM 351 N LEU A 28 -0.011 -3.040 3.954 1.00 0.00 N ATOM 352 CA LEU A 28 1.040 -2.330 3.234 1.00 0.00 C ATOM 353 C LEU A 28 1.549 -1.143 4.045 1.00 0.00 C ATOM 354 O LEU A 28 0.885 -0.110 4.139 1.00 0.00 O ATOM 355 CB LEU A 28 0.522 -1.851 1.877 1.00 0.00 C ATOM 356 CG LEU A 28 0.130 -2.945 0.883 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.236 -3.516 1.230 1.00 0.00 C ATOM 358 CD2 LEU A 28 0.138 -2.402 -0.538 1.00 0.00 C ATOM 0 H LEU A 28 -0.943 -2.641 3.840 1.00 0.00 H new ATOM 0 HA LEU A 28 1.868 -3.021 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.346 -1.214 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.289 -1.228 1.417 1.00 0.00 H new ATOM 0 HG LEU A 28 0.864 -3.748 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.499 -4.293 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.208 -3.943 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.982 -2.722 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.143 -3.194 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.574 -1.580 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.137 -2.042 -0.784 1.00 0.00 H new ATOM 370 N LYS A 29 2.734 -1.295 4.628 1.00 0.00 N ATOM 371 CA LYS A 29 3.335 -0.235 5.428 1.00 0.00 C ATOM 372 C LYS A 29 3.949 0.839 4.536 1.00 0.00 C ATOM 373 O LYS A 29 4.496 0.540 3.474 1.00 0.00 O ATOM 374 CB LYS A 29 4.405 -0.814 6.357 1.00 0.00 C ATOM 375 CG LYS A 29 3.836 -1.502 7.586 1.00 0.00 C ATOM 376 CD LYS A 29 3.381 -2.918 7.272 1.00 0.00 C ATOM 377 CE LYS A 29 2.596 -3.520 8.427 1.00 0.00 C ATOM 378 NZ LYS A 29 2.226 -4.939 8.166 1.00 0.00 N ATOM 0 H LYS A 29 3.297 -2.143 4.561 1.00 0.00 H new ATOM 0 HA LYS A 29 2.549 0.223 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.011 -1.528 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.070 -0.012 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.591 -1.527 8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.995 -0.925 7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.763 -2.912 6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.249 -3.541 7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.190 -3.461 9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.692 -2.934 8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.370 -5.180 8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.043 -5.069 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.006 -5.561 8.459 1.00 0.00 H new ATOM 392 N CYS A 30 3.856 2.090 4.975 1.00 0.00 N ATOM 393 CA CYS A 30 4.403 3.209 4.217 1.00 0.00 C ATOM 394 C CYS A 30 4.467 4.468 5.076 1.00 0.00 C ATOM 395 O CYS A 30 3.506 4.813 5.764 1.00 0.00 O ATOM 396 CB CYS A 30 3.555 3.471 2.970 1.00 0.00 C ATOM 397 SG CYS A 30 4.484 4.183 1.575 1.00 0.00 S ATOM 0 H CYS A 30 3.407 2.354 5.852 1.00 0.00 H new ATOM 0 HA CYS A 30 5.416 2.948 3.911 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.101 2.534 2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.741 4.146 3.233 1.00 0.00 H new ATOM 402 N LYS A 31 5.606 5.151 5.031 1.00 0.00 N ATOM 403 CA LYS A 31 5.797 6.373 5.802 1.00 0.00 C ATOM 404 C LYS A 31 6.677 7.363 5.046 1.00 0.00 C ATOM 405 O LYS A 31 7.721 6.995 4.509 1.00 0.00 O ATOM 406 CB LYS A 31 6.425 6.051 7.160 1.00 0.00 C ATOM 407 CG LYS A 31 6.138 7.093 8.227 1.00 0.00 C ATOM 408 CD LYS A 31 6.513 6.592 9.611 1.00 0.00 C ATOM 409 CE LYS A 31 8.008 6.716 9.863 1.00 0.00 C ATOM 410 NZ LYS A 31 8.370 8.054 10.407 1.00 0.00 N ATOM 0 H LYS A 31 6.411 4.878 4.468 1.00 0.00 H new ATOM 0 HA LYS A 31 4.820 6.829 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.056 5.084 7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.504 5.956 7.038 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.694 8.004 8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.080 7.353 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.968 7.160 10.365 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.210 5.550 9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.324 5.942 10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.549 6.544 8.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.397 8.098 10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.092 8.791 9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.874 8.208 11.308 1.00 0.00 H new ATOM 424 N ALA A 32 6.247 8.620 5.008 1.00 0.00 N ATOM 425 CA ALA A 32 6.998 9.663 4.320 1.00 0.00 C ATOM 426 C ALA A 32 7.066 10.935 5.158 1.00 0.00 C ATOM 427 O ALA A 32 6.054 11.401 5.682 1.00 0.00 O ATOM 428 CB ALA A 32 6.373 9.956 2.964 1.00 0.00 C ATOM 0 H ALA A 32 5.383 8.941 5.445 1.00 0.00 H new ATOM 0 HA ALA A 32 8.016 9.303 4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.944 10.737 2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.382 9.051 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.345 10.290 3.102 1.00 0.00 H new ATOM 434 N THR A 33 8.266 11.493 5.283 1.00 0.00 N ATOM 435 CA THR A 33 8.467 12.710 6.060 1.00 0.00 C ATOM 436 C THR A 33 8.538 13.934 5.155 1.00 0.00 C ATOM 437 O THR A 33 8.928 13.837 3.992 1.00 0.00 O ATOM 438 CB THR A 33 9.754 12.633 6.903 1.00 0.00 C ATOM 439 OG1 THR A 33 9.960 13.869 7.595 1.00 0.00 O ATOM 440 CG2 THR A 33 10.958 12.330 6.025 1.00 0.00 C ATOM 0 H THR A 33 9.114 11.121 4.856 1.00 0.00 H new ATOM 0 HA THR A 33 7.610 12.804 6.727 1.00 0.00 H new ATOM 0 HB THR A 33 9.641 11.826 7.627 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.779 13.812 8.130 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.855 12.280 6.642 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.810 11.374 5.522 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.073 13.118 5.281 1.00 0.00 H new ATOM 448 N GLY A 34 8.158 15.088 5.697 1.00 0.00 N ATOM 449 CA GLY A 34 8.188 16.315 4.924 1.00 0.00 C ATOM 450 C GLY A 34 7.279 17.384 5.498 1.00 0.00 C ATOM 451 O GLY A 34 6.466 17.109 6.381 1.00 0.00 O ATOM 0 H GLY A 34 7.830 15.194 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.210 16.693 4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.890 16.102 3.898 1.00 0.00 H new ATOM 455 N ASP A 35 7.416 18.607 4.998 1.00 0.00 N ATOM 456 CA ASP A 35 6.601 19.721 5.467 1.00 0.00 C ATOM 457 C ASP A 35 6.191 20.621 4.306 1.00 0.00 C ATOM 458 O ASP A 35 7.027 21.157 3.578 1.00 0.00 O ATOM 459 CB ASP A 35 7.365 20.535 6.513 1.00 0.00 C ATOM 460 CG ASP A 35 6.478 21.532 7.232 1.00 0.00 C ATOM 461 OD1 ASP A 35 5.370 21.142 7.658 1.00 0.00 O ATOM 462 OD2 ASP A 35 6.892 22.702 7.370 1.00 0.00 O ATOM 0 H ASP A 35 8.084 18.852 4.267 1.00 0.00 H new ATOM 0 HA ASP A 35 5.699 19.312 5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.810 19.858 7.242 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.185 21.066 6.028 1.00 0.00 H new ATOM 467 N PRO A 36 4.872 20.791 4.126 1.00 0.00 N ATOM 468 CA PRO A 36 3.868 20.158 4.985 1.00 0.00 C ATOM 469 C PRO A 36 3.800 18.648 4.782 1.00 0.00 C ATOM 470 O PRO A 36 4.301 18.122 3.787 1.00 0.00 O ATOM 471 CB PRO A 36 2.558 20.816 4.545 1.00 0.00 C ATOM 472 CG PRO A 36 2.805 21.247 3.140 1.00 0.00 C ATOM 473 CD PRO A 36 4.261 21.614 3.069 1.00 0.00 C ATOM 0 HA PRO A 36 4.094 20.293 6.043 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.724 20.117 4.604 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.308 21.665 5.181 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.570 20.446 2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.175 22.097 2.876 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.685 21.390 2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.416 22.678 3.248 1.00 0.00 H new ATOM 481 N LEU A 37 3.178 17.956 5.730 1.00 0.00 N ATOM 482 CA LEU A 37 3.045 16.505 5.655 1.00 0.00 C ATOM 483 C LEU A 37 2.450 16.082 4.316 1.00 0.00 C ATOM 484 O LEU A 37 1.458 16.638 3.845 1.00 0.00 O ATOM 485 CB LEU A 37 2.168 15.994 6.799 1.00 0.00 C ATOM 486 CG LEU A 37 2.870 15.788 8.142 1.00 0.00 C ATOM 487 CD1 LEU A 37 3.743 14.543 8.102 1.00 0.00 C ATOM 488 CD2 LEU A 37 3.698 17.011 8.504 1.00 0.00 C ATOM 0 H LEU A 37 2.758 18.376 6.559 1.00 0.00 H new ATOM 0 HA LEU A 37 4.040 16.068 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.348 16.698 6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.724 15.046 6.495 1.00 0.00 H new ATOM 0 HG LEU A 37 2.110 15.649 8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.235 14.412 9.066 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.124 13.671 7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.497 14.652 7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.190 16.846 9.463 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.451 17.182 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.048 17.883 8.575 1.00 0.00 H new ATOM 500 N PRO A 38 3.068 15.071 3.686 1.00 0.00 N ATOM 501 CA PRO A 38 2.616 14.549 2.394 1.00 0.00 C ATOM 502 C PRO A 38 1.292 13.800 2.502 1.00 0.00 C ATOM 503 O PRO A 38 0.873 13.414 3.594 1.00 0.00 O ATOM 504 CB PRO A 38 3.739 13.592 1.985 1.00 0.00 C ATOM 505 CG PRO A 38 4.368 13.176 3.270 1.00 0.00 C ATOM 506 CD PRO A 38 4.256 14.361 4.188 1.00 0.00 C ATOM 0 HA PRO A 38 2.434 15.347 1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.348 12.733 1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.460 14.084 1.332 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.860 12.308 3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.411 12.895 3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.132 14.054 5.227 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.147 14.988 4.145 1.00 0.00 H new ATOM 514 N VAL A 39 0.636 13.598 1.364 1.00 0.00 N ATOM 515 CA VAL A 39 -0.640 12.894 1.331 1.00 0.00 C ATOM 516 C VAL A 39 -0.490 11.512 0.703 1.00 0.00 C ATOM 517 O VAL A 39 -0.770 11.324 -0.481 1.00 0.00 O ATOM 518 CB VAL A 39 -1.700 13.689 0.546 1.00 0.00 C ATOM 519 CG1 VAL A 39 -3.018 12.932 0.511 1.00 0.00 C ATOM 520 CG2 VAL A 39 -1.886 15.071 1.154 1.00 0.00 C ATOM 0 H VAL A 39 0.968 13.912 0.452 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.968 12.787 2.365 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.352 13.811 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.754 13.509 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.870 11.967 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.375 12.776 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.638 15.620 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.212 14.972 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.941 15.613 1.122 1.00 0.00 H new ATOM 530 N ILE A 40 -0.046 10.550 1.505 1.00 0.00 N ATOM 531 CA ILE A 40 0.140 9.185 1.028 1.00 0.00 C ATOM 532 C ILE A 40 -1.050 8.728 0.190 1.00 0.00 C ATOM 533 O ILE A 40 -2.199 9.036 0.506 1.00 0.00 O ATOM 534 CB ILE A 40 0.338 8.202 2.197 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.542 8.619 3.044 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.517 6.785 1.673 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.869 8.421 2.347 1.00 0.00 C ATOM 0 H ILE A 40 0.191 10.690 2.487 1.00 0.00 H new ATOM 0 HA ILE A 40 1.038 9.187 0.409 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.551 8.226 2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.437 9.669 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.539 8.047 3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.656 6.102 2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.368 6.491 1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.392 6.745 1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.677 8.738 3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.996 7.367 2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.892 9.015 1.433 1.00 0.00 H new ATOM 549 N SER A 41 -0.766 7.991 -0.878 1.00 0.00 N ATOM 550 CA SER A 41 -1.813 7.493 -1.763 1.00 0.00 C ATOM 551 C SER A 41 -1.386 6.188 -2.429 1.00 0.00 C ATOM 552 O SER A 41 -0.219 6.010 -2.778 1.00 0.00 O ATOM 553 CB SER A 41 -2.148 8.537 -2.830 1.00 0.00 C ATOM 554 OG SER A 41 -3.153 9.426 -2.374 1.00 0.00 O ATOM 0 H SER A 41 0.180 7.725 -1.152 1.00 0.00 H new ATOM 0 HA SER A 41 -2.701 7.301 -1.162 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.250 9.099 -3.088 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.484 8.038 -3.739 1.00 0.00 H new ATOM 0 HG SER A 41 -3.087 9.523 -1.401 1.00 0.00 H new ATOM 560 N TRP A 42 -2.339 5.280 -2.603 1.00 0.00 N ATOM 561 CA TRP A 42 -2.063 3.991 -3.227 1.00 0.00 C ATOM 562 C TRP A 42 -2.745 3.887 -4.586 1.00 0.00 C ATOM 563 O TRP A 42 -3.952 4.101 -4.704 1.00 0.00 O ATOM 564 CB TRP A 42 -2.529 2.852 -2.320 1.00 0.00 C ATOM 565 CG TRP A 42 -1.841 2.833 -0.988 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.232 3.486 0.146 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.642 2.127 -0.653 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.348 3.229 1.165 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.364 2.397 0.701 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.223 1.291 -1.364 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.743 1.862 1.355 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.321 0.761 -0.714 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.573 1.047 0.634 1.00 0.00 C ATOM 0 H TRP A 42 -3.310 5.412 -2.321 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.986 3.910 -3.375 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.604 2.938 -2.164 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.355 1.901 -2.824 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.108 4.112 0.229 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.414 3.598 2.114 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.037 1.063 -2.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.939 2.082 2.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.997 0.115 -1.255 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.439 0.616 1.114 1.00 0.00 H new ATOM 584 N LEU A 43 -1.966 3.558 -5.611 1.00 0.00 N ATOM 585 CA LEU A 43 -2.496 3.426 -6.963 1.00 0.00 C ATOM 586 C LEU A 43 -2.309 2.004 -7.485 1.00 0.00 C ATOM 587 O LEU A 43 -1.187 1.570 -7.746 1.00 0.00 O ATOM 588 CB LEU A 43 -1.809 4.420 -7.901 1.00 0.00 C ATOM 589 CG LEU A 43 -2.138 5.895 -7.673 1.00 0.00 C ATOM 590 CD1 LEU A 43 -1.192 6.782 -8.468 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.584 6.184 -8.047 1.00 0.00 C ATOM 0 H LEU A 43 -0.965 3.378 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.563 3.644 -6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.731 4.290 -7.808 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.074 4.164 -8.927 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.007 6.117 -6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.441 7.829 -8.293 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.166 6.596 -8.151 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.290 6.558 -9.530 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.800 7.239 -7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.743 5.945 -9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.247 5.575 -7.433 1.00 0.00 H new ATOM 603 N LYS A 44 -3.416 1.285 -7.635 1.00 0.00 N ATOM 604 CA LYS A 44 -3.376 -0.087 -8.129 1.00 0.00 C ATOM 605 C LYS A 44 -3.399 -0.117 -9.654 1.00 0.00 C ATOM 606 O LYS A 44 -4.417 0.187 -10.274 1.00 0.00 O ATOM 607 CB LYS A 44 -4.558 -0.885 -7.574 1.00 0.00 C ATOM 608 CG LYS A 44 -4.556 -2.345 -7.993 1.00 0.00 C ATOM 609 CD LYS A 44 -5.239 -3.223 -6.957 1.00 0.00 C ATOM 610 CE LYS A 44 -4.257 -3.701 -5.898 1.00 0.00 C ATOM 611 NZ LYS A 44 -4.744 -4.924 -5.203 1.00 0.00 N ATOM 0 H LYS A 44 -4.352 1.629 -7.422 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.446 -0.543 -7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.545 -0.828 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.487 -0.421 -7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.063 -2.450 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.529 -2.682 -8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.046 -2.666 -6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.692 -4.083 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.293 -3.907 -6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.096 -2.908 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.313 -4.981 -4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.779 -4.881 -5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.481 -5.765 -5.755 1.00 0.00 H new ATOM 625 N GLU A 45 -2.270 -0.488 -10.251 1.00 0.00 N ATOM 626 CA GLU A 45 -2.163 -0.558 -11.703 1.00 0.00 C ATOM 627 C GLU A 45 -2.560 0.769 -12.343 1.00 0.00 C ATOM 628 O GLU A 45 -3.221 0.798 -13.380 1.00 0.00 O ATOM 629 CB GLU A 45 -3.045 -1.683 -12.248 1.00 0.00 C ATOM 630 CG GLU A 45 -2.645 -3.064 -11.756 1.00 0.00 C ATOM 631 CD GLU A 45 -3.210 -4.177 -12.616 1.00 0.00 C ATOM 632 OE1 GLU A 45 -3.383 -3.956 -13.833 1.00 0.00 O ATOM 633 OE2 GLU A 45 -3.481 -5.268 -12.073 1.00 0.00 O ATOM 0 H GLU A 45 -1.418 -0.744 -9.752 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.123 -0.766 -11.955 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.080 -1.491 -11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.005 -1.669 -13.337 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.558 -3.139 -11.740 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.988 -3.193 -10.730 1.00 0.00 H new ATOM 640 N GLY A 46 -2.150 1.868 -11.716 1.00 0.00 N ATOM 641 CA GLY A 46 -2.472 3.183 -12.237 1.00 0.00 C ATOM 642 C GLY A 46 -3.943 3.519 -12.096 1.00 0.00 C ATOM 643 O GLY A 46 -4.550 4.080 -13.009 1.00 0.00 O ATOM 0 H GLY A 46 -1.601 1.870 -10.857 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.880 3.933 -11.713 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.191 3.232 -13.289 1.00 0.00 H new ATOM 647 N PHE A 47 -4.520 3.174 -10.949 1.00 0.00 N ATOM 648 CA PHE A 47 -5.930 3.439 -10.692 1.00 0.00 C ATOM 649 C PHE A 47 -6.174 3.698 -9.208 1.00 0.00 C ATOM 650 O PHE A 47 -5.556 3.071 -8.347 1.00 0.00 O ATOM 651 CB PHE A 47 -6.787 2.262 -11.164 1.00 0.00 C ATOM 652 CG PHE A 47 -6.755 2.056 -12.651 1.00 0.00 C ATOM 653 CD1 PHE A 47 -7.509 2.860 -13.492 1.00 0.00 C ATOM 654 CD2 PHE A 47 -5.972 1.058 -13.209 1.00 0.00 C ATOM 655 CE1 PHE A 47 -7.482 2.673 -14.861 1.00 0.00 C ATOM 656 CE2 PHE A 47 -5.941 0.867 -14.578 1.00 0.00 C ATOM 657 CZ PHE A 47 -6.698 1.674 -15.405 1.00 0.00 C ATOM 0 H PHE A 47 -4.032 2.710 -10.183 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.213 4.332 -11.250 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.443 1.352 -10.672 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.818 2.425 -10.850 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.125 3.642 -13.072 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.380 0.422 -12.567 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.073 3.307 -15.505 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.325 0.087 -15.001 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.677 1.524 -16.474 1.00 0.00 H new ATOM 667 N THR A 48 -7.079 4.626 -8.916 1.00 0.00 N ATOM 668 CA THR A 48 -7.404 4.969 -7.537 1.00 0.00 C ATOM 669 C THR A 48 -7.400 3.732 -6.647 1.00 0.00 C ATOM 670 O THR A 48 -7.789 2.645 -7.075 1.00 0.00 O ATOM 671 CB THR A 48 -8.780 5.654 -7.438 1.00 0.00 C ATOM 672 OG1 THR A 48 -9.022 6.077 -6.092 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.887 4.712 -7.886 1.00 0.00 C ATOM 0 H THR A 48 -7.600 5.154 -9.616 1.00 0.00 H new ATOM 0 HA THR A 48 -6.636 5.662 -7.194 1.00 0.00 H new ATOM 0 HB THR A 48 -8.776 6.523 -8.096 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.898 6.513 -6.039 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.849 5.218 -7.807 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.716 4.416 -8.921 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.890 3.826 -7.251 1.00 0.00 H new ATOM 681 N PHE A 49 -6.958 3.904 -5.405 1.00 0.00 N ATOM 682 CA PHE A 49 -6.903 2.800 -4.454 1.00 0.00 C ATOM 683 C PHE A 49 -6.478 3.293 -3.074 1.00 0.00 C ATOM 684 O PHE A 49 -5.570 4.112 -2.931 1.00 0.00 O ATOM 685 CB PHE A 49 -5.932 1.724 -4.945 1.00 0.00 C ATOM 686 CG PHE A 49 -6.107 0.401 -4.256 1.00 0.00 C ATOM 687 CD1 PHE A 49 -5.698 0.229 -2.943 1.00 0.00 C ATOM 688 CD2 PHE A 49 -6.680 -0.671 -4.921 1.00 0.00 C ATOM 689 CE1 PHE A 49 -5.857 -0.988 -2.308 1.00 0.00 C ATOM 690 CE2 PHE A 49 -6.842 -1.890 -4.290 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.431 -2.049 -2.982 1.00 0.00 C ATOM 0 H PHE A 49 -6.633 4.797 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.901 2.370 -4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.066 1.587 -6.018 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.910 2.071 -4.794 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.250 1.055 -2.410 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.004 -0.553 -5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.533 -1.110 -1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.290 -2.718 -4.820 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.558 -3.000 -2.487 1.00 0.00 H new ATOM 701 N PRO A 50 -7.151 2.783 -2.031 1.00 0.00 N ATOM 702 CA PRO A 50 -8.234 1.807 -2.189 1.00 0.00 C ATOM 703 C PRO A 50 -9.480 2.421 -2.818 1.00 0.00 C ATOM 704 O PRO A 50 -10.349 1.709 -3.319 1.00 0.00 O ATOM 705 CB PRO A 50 -8.523 1.364 -0.752 1.00 0.00 C ATOM 706 CG PRO A 50 -8.080 2.507 0.094 1.00 0.00 C ATOM 707 CD PRO A 50 -6.906 3.119 -0.619 1.00 0.00 C ATOM 0 HA PRO A 50 -7.954 0.990 -2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.583 1.153 -0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.980 0.453 -0.502 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.883 3.234 0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.798 2.168 1.091 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.860 4.197 -0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.961 2.706 -0.266 1.00 0.00 H new ATOM 715 N GLY A 51 -9.560 3.748 -2.787 1.00 0.00 N ATOM 716 CA GLY A 51 -10.704 4.435 -3.358 1.00 0.00 C ATOM 717 C GLY A 51 -11.928 4.362 -2.467 1.00 0.00 C ATOM 718 O GLY A 51 -11.888 4.779 -1.310 1.00 0.00 O ATOM 0 H GLY A 51 -8.854 4.359 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.447 5.480 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.939 3.999 -4.329 1.00 0.00 H new ATOM 722 N ARG A 52 -13.021 3.832 -3.008 1.00 0.00 N ATOM 723 CA ARG A 52 -14.263 3.709 -2.254 1.00 0.00 C ATOM 724 C ARG A 52 -14.594 2.243 -1.988 1.00 0.00 C ATOM 725 O ARG A 52 -15.716 1.797 -2.225 1.00 0.00 O ATOM 726 CB ARG A 52 -15.413 4.372 -3.014 1.00 0.00 C ATOM 727 CG ARG A 52 -15.381 5.891 -2.964 1.00 0.00 C ATOM 728 CD ARG A 52 -16.641 6.495 -3.564 1.00 0.00 C ATOM 729 NE ARG A 52 -16.428 7.868 -4.015 1.00 0.00 N ATOM 730 CZ ARG A 52 -17.404 8.660 -4.445 1.00 0.00 C ATOM 731 NH1 ARG A 52 -18.654 8.217 -4.482 1.00 0.00 N ATOM 732 NH2 ARG A 52 -17.131 9.897 -4.839 1.00 0.00 N ATOM 0 H ARG A 52 -13.071 3.481 -3.965 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.130 4.214 -1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.382 4.051 -4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.359 4.023 -2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.275 6.220 -1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.508 6.256 -3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.971 5.884 -4.404 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.440 6.477 -2.823 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.478 8.239 -3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.867 7.266 -4.180 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.402 8.827 -4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.171 10.241 -4.812 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.881 10.504 -5.169 1.00 0.00 H new ATOM 746 N ASP A 53 -13.609 1.501 -1.494 1.00 0.00 N ATOM 747 CA ASP A 53 -13.795 0.086 -1.194 1.00 0.00 C ATOM 748 C ASP A 53 -14.106 -0.120 0.285 1.00 0.00 C ATOM 749 O ASP A 53 -13.489 0.483 1.164 1.00 0.00 O ATOM 750 CB ASP A 53 -12.546 -0.708 -1.581 1.00 0.00 C ATOM 751 CG ASP A 53 -12.366 -0.808 -3.083 1.00 0.00 C ATOM 752 OD1 ASP A 53 -13.387 -0.843 -3.802 1.00 0.00 O ATOM 753 OD2 ASP A 53 -11.205 -0.851 -3.539 1.00 0.00 O ATOM 0 H ASP A 53 -12.674 1.856 -1.293 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.641 -0.276 -1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.667 -0.234 -1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.611 -1.711 -1.158 1.00 0.00 H new ATOM 758 N PRO A 54 -15.086 -0.991 0.569 1.00 0.00 N ATOM 759 CA PRO A 54 -15.501 -1.296 1.941 1.00 0.00 C ATOM 760 C PRO A 54 -14.444 -2.087 2.705 1.00 0.00 C ATOM 761 O PRO A 54 -14.086 -1.737 3.829 1.00 0.00 O ATOM 762 CB PRO A 54 -16.765 -2.138 1.751 1.00 0.00 C ATOM 763 CG PRO A 54 -16.611 -2.752 0.402 1.00 0.00 C ATOM 764 CD PRO A 54 -15.864 -1.745 -0.428 1.00 0.00 C ATOM 0 HA PRO A 54 -15.659 -0.392 2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.853 -2.900 2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -17.663 -1.522 1.806 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -16.063 -3.692 0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -17.583 -2.977 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -15.217 -2.228 -1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -16.544 -1.097 -0.981 1.00 0.00 H new ATOM 772 N ARG A 55 -13.948 -3.153 2.086 1.00 0.00 N ATOM 773 CA ARG A 55 -12.932 -3.993 2.708 1.00 0.00 C ATOM 774 C ARG A 55 -11.575 -3.296 2.707 1.00 0.00 C ATOM 775 O ARG A 55 -10.874 -3.280 3.719 1.00 0.00 O ATOM 776 CB ARG A 55 -12.830 -5.333 1.976 1.00 0.00 C ATOM 777 CG ARG A 55 -14.099 -6.166 2.051 1.00 0.00 C ATOM 778 CD ARG A 55 -13.903 -7.537 1.423 1.00 0.00 C ATOM 779 NE ARG A 55 -13.789 -7.462 -0.032 1.00 0.00 N ATOM 780 CZ ARG A 55 -13.971 -8.501 -0.838 1.00 0.00 C ATOM 781 NH1 ARG A 55 -14.274 -9.690 -0.334 1.00 0.00 N ATOM 782 NH2 ARG A 55 -13.851 -8.353 -2.151 1.00 0.00 N ATOM 0 H ARG A 55 -14.233 -3.455 1.155 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.228 -4.173 3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.588 -5.148 0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.004 -5.906 2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.399 -6.281 3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.909 -5.644 1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.005 -7.999 1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.742 -8.180 1.688 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.557 -6.562 -0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.368 -9.807 0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.413 -10.487 -0.955 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.619 -7.440 -2.542 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.991 -9.152 -2.769 1.00 0.00 H new ATOM 796 N ALA A 56 -11.210 -2.723 1.565 1.00 0.00 N ATOM 797 CA ALA A 56 -9.939 -2.023 1.433 1.00 0.00 C ATOM 798 C ALA A 56 -10.004 -0.639 2.071 1.00 0.00 C ATOM 799 O ALA A 56 -10.978 0.093 1.892 1.00 0.00 O ATOM 800 CB ALA A 56 -9.546 -1.913 -0.033 1.00 0.00 C ATOM 0 H ALA A 56 -11.777 -2.730 0.717 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.179 -2.601 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.595 -1.388 -0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.448 -2.911 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.314 -1.361 -0.575 1.00 0.00 H new ATOM 806 N THR A 57 -8.962 -0.287 2.817 1.00 0.00 N ATOM 807 CA THR A 57 -8.902 1.008 3.483 1.00 0.00 C ATOM 808 C THR A 57 -7.559 1.209 4.175 1.00 0.00 C ATOM 809 O THR A 57 -6.846 0.246 4.458 1.00 0.00 O ATOM 810 CB THR A 57 -10.030 1.159 4.522 1.00 0.00 C ATOM 811 OG1 THR A 57 -10.168 2.533 4.900 1.00 0.00 O ATOM 812 CG2 THR A 57 -9.746 0.314 5.754 1.00 0.00 C ATOM 0 H THR A 57 -8.148 -0.881 2.975 1.00 0.00 H new ATOM 0 HA THR A 57 -9.026 1.766 2.710 1.00 0.00 H new ATOM 0 HB THR A 57 -10.960 0.813 4.070 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.888 2.620 5.559 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.555 0.436 6.474 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.671 -0.735 5.467 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.807 0.634 6.206 1.00 0.00 H new ATOM 820 N ILE A 58 -7.221 2.465 4.447 1.00 0.00 N ATOM 821 CA ILE A 58 -5.963 2.791 5.108 1.00 0.00 C ATOM 822 C ILE A 58 -6.145 2.885 6.619 1.00 0.00 C ATOM 823 O ILE A 58 -7.169 3.369 7.101 1.00 0.00 O ATOM 824 CB ILE A 58 -5.382 4.119 4.589 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.434 4.160 3.060 1.00 0.00 C ATOM 826 CG2 ILE A 58 -3.953 4.300 5.080 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.197 5.539 2.485 1.00 0.00 C ATOM 0 H ILE A 58 -7.800 3.273 4.220 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.267 1.985 4.877 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.986 4.939 4.977 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.686 3.475 2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.407 3.799 2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.556 5.243 4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.941 4.309 6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.337 3.477 4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.248 5.493 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.960 6.224 2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.212 5.895 2.787 1.00 0.00 H new ATOM 839 N GLN A 59 -5.145 2.421 7.360 1.00 0.00 N ATOM 840 CA GLN A 59 -5.194 2.454 8.817 1.00 0.00 C ATOM 841 C GLN A 59 -4.549 3.727 9.355 1.00 0.00 C ATOM 842 O GLN A 59 -5.240 4.646 9.795 1.00 0.00 O ATOM 843 CB GLN A 59 -4.492 1.227 9.401 1.00 0.00 C ATOM 844 CG GLN A 59 -5.355 -0.025 9.401 1.00 0.00 C ATOM 845 CD GLN A 59 -6.763 0.237 9.899 1.00 0.00 C ATOM 846 OE1 GLN A 59 -7.019 0.235 11.103 1.00 0.00 O ATOM 847 NE2 GLN A 59 -7.686 0.465 8.971 1.00 0.00 N ATOM 0 H GLN A 59 -4.291 2.018 6.976 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.241 2.443 9.120 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.584 1.032 8.830 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.185 1.447 10.424 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.401 -0.430 8.390 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.887 -0.784 10.028 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.429 0.457 7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.651 0.648 9.246 1.00 0.00 H new ATOM 856 N GLU A 60 -3.221 3.774 9.317 1.00 0.00 N ATOM 857 CA GLU A 60 -2.484 4.934 9.802 1.00 0.00 C ATOM 858 C GLU A 60 -2.052 5.828 8.643 1.00 0.00 C ATOM 859 O GLU A 60 -0.860 5.984 8.378 1.00 0.00 O ATOM 860 CB GLU A 60 -1.257 4.489 10.602 1.00 0.00 C ATOM 861 CG GLU A 60 -1.590 3.991 11.998 1.00 0.00 C ATOM 862 CD GLU A 60 -2.559 4.902 12.727 1.00 0.00 C ATOM 863 OE1 GLU A 60 -2.172 6.043 13.053 1.00 0.00 O ATOM 864 OE2 GLU A 60 -3.706 4.472 12.971 1.00 0.00 O ATOM 0 H GLU A 60 -2.634 3.022 8.955 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.145 5.506 10.453 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.745 3.697 10.055 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.561 5.325 10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.018 2.991 11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.671 3.906 12.578 1.00 0.00 H new ATOM 871 N GLN A 61 -3.029 6.410 7.956 1.00 0.00 N ATOM 872 CA GLN A 61 -2.750 7.287 6.824 1.00 0.00 C ATOM 873 C GLN A 61 -1.521 6.811 6.057 1.00 0.00 C ATOM 874 O GLN A 61 -0.715 7.617 5.595 1.00 0.00 O ATOM 875 CB GLN A 61 -2.542 8.724 7.305 1.00 0.00 C ATOM 876 CG GLN A 61 -1.489 8.854 8.394 1.00 0.00 C ATOM 877 CD GLN A 61 -1.317 10.283 8.871 1.00 0.00 C ATOM 878 OE1 GLN A 61 -0.690 11.102 8.199 1.00 0.00 O ATOM 879 NE2 GLN A 61 -1.875 10.590 10.036 1.00 0.00 N ATOM 0 H GLN A 61 -4.021 6.291 8.163 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.608 7.257 6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.254 9.344 6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.489 9.114 7.678 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.766 8.224 9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.535 8.483 8.018 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.386 9.879 10.560 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.793 11.537 10.407 1.00 0.00 H new ATOM 888 N GLY A 62 -1.384 5.495 5.927 1.00 0.00 N ATOM 889 CA GLY A 62 -0.250 4.934 5.215 1.00 0.00 C ATOM 890 C GLY A 62 -0.212 3.420 5.285 1.00 0.00 C ATOM 891 O GLY A 62 0.355 2.764 4.411 1.00 0.00 O ATOM 0 H GLY A 62 -2.038 4.807 6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.290 5.245 4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.673 5.337 5.633 1.00 0.00 H new ATOM 895 N THR A 63 -0.816 2.862 6.330 1.00 0.00 N ATOM 896 CA THR A 63 -0.847 1.417 6.512 1.00 0.00 C ATOM 897 C THR A 63 -2.090 0.808 5.873 1.00 0.00 C ATOM 898 O THR A 63 -3.061 0.488 6.560 1.00 0.00 O ATOM 899 CB THR A 63 -0.814 1.038 8.005 1.00 0.00 C ATOM 900 OG1 THR A 63 0.410 1.488 8.597 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.947 -0.466 8.185 1.00 0.00 C ATOM 0 H THR A 63 -1.290 3.390 7.063 1.00 0.00 H new ATOM 0 HA THR A 63 0.042 1.018 6.023 1.00 0.00 H new ATOM 0 HB THR A 63 -1.656 1.522 8.499 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.423 1.245 9.546 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.921 -0.709 9.247 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.893 -0.801 7.759 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.123 -0.967 7.678 1.00 0.00 H new ATOM 909 N LEU A 64 -2.055 0.650 4.555 1.00 0.00 N ATOM 910 CA LEU A 64 -3.179 0.079 3.822 1.00 0.00 C ATOM 911 C LEU A 64 -3.588 -1.266 4.414 1.00 0.00 C ATOM 912 O LEU A 64 -2.783 -1.943 5.053 1.00 0.00 O ATOM 913 CB LEU A 64 -2.818 -0.090 2.345 1.00 0.00 C ATOM 914 CG LEU A 64 -3.981 0.001 1.355 1.00 0.00 C ATOM 915 CD1 LEU A 64 -3.506 0.567 0.026 1.00 0.00 C ATOM 916 CD2 LEU A 64 -4.621 -1.365 1.158 1.00 0.00 C ATOM 0 H LEU A 64 -1.260 0.910 3.971 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.022 0.765 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.083 0.671 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.334 -1.058 2.218 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.732 0.675 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.346 0.625 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.095 1.564 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.736 -0.082 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.446 -1.282 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.879 -2.062 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.997 -1.732 2.113 1.00 0.00 H new ATOM 928 N GLN A 65 -4.843 -1.647 4.195 1.00 0.00 N ATOM 929 CA GLN A 65 -5.357 -2.912 4.707 1.00 0.00 C ATOM 930 C GLN A 65 -6.420 -3.483 3.775 1.00 0.00 C ATOM 931 O GLN A 65 -7.391 -2.806 3.435 1.00 0.00 O ATOM 932 CB GLN A 65 -5.940 -2.720 6.108 1.00 0.00 C ATOM 933 CG GLN A 65 -6.393 -4.016 6.761 1.00 0.00 C ATOM 934 CD GLN A 65 -6.904 -3.811 8.173 1.00 0.00 C ATOM 935 OE1 GLN A 65 -6.268 -4.228 9.142 1.00 0.00 O ATOM 936 NE2 GLN A 65 -8.057 -3.166 8.298 1.00 0.00 N ATOM 0 H GLN A 65 -5.522 -1.098 3.667 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.528 -3.618 4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.191 -2.246 6.742 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.787 -2.037 6.049 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.179 -4.467 6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.561 -4.720 6.779 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.550 -2.838 7.468 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.450 -2.998 9.224 1.00 0.00 H new ATOM 945 N ILE A 66 -6.231 -4.733 3.365 1.00 0.00 N ATOM 946 CA ILE A 66 -7.175 -5.395 2.473 1.00 0.00 C ATOM 947 C ILE A 66 -7.565 -6.769 3.008 1.00 0.00 C ATOM 948 O ILE A 66 -6.746 -7.688 3.050 1.00 0.00 O ATOM 949 CB ILE A 66 -6.593 -5.555 1.056 1.00 0.00 C ATOM 950 CG1 ILE A 66 -5.969 -4.240 0.586 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.674 -6.011 0.088 1.00 0.00 C ATOM 952 CD1 ILE A 66 -4.949 -4.415 -0.517 1.00 0.00 C ATOM 0 H ILE A 66 -5.433 -5.307 3.636 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.061 -4.761 2.424 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.813 -6.316 1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.760 -3.577 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.493 -3.749 1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.247 -6.120 -0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.076 -6.969 0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.474 -5.271 0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.549 -3.442 -0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.138 -5.053 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.424 -4.877 -1.382 1.00 0.00 H new ATOM 964 N LYS A 67 -8.823 -6.903 3.416 1.00 0.00 N ATOM 965 CA LYS A 67 -9.325 -8.165 3.946 1.00 0.00 C ATOM 966 C LYS A 67 -10.019 -8.976 2.855 1.00 0.00 C ATOM 967 O LYS A 67 -10.553 -8.417 1.899 1.00 0.00 O ATOM 968 CB LYS A 67 -10.297 -7.907 5.100 1.00 0.00 C ATOM 969 CG LYS A 67 -9.640 -7.286 6.320 1.00 0.00 C ATOM 970 CD LYS A 67 -10.673 -6.810 7.328 1.00 0.00 C ATOM 971 CE LYS A 67 -10.036 -6.500 8.674 1.00 0.00 C ATOM 972 NZ LYS A 67 -11.047 -6.449 9.767 1.00 0.00 N ATOM 0 H LYS A 67 -9.513 -6.153 3.390 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.475 -8.738 4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.094 -7.250 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.764 -8.849 5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.981 -8.016 6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.018 -6.446 6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.172 -5.919 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.439 -7.575 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.289 -7.259 8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.514 -5.545 8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.574 -6.235 10.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.746 -5.708 9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.528 -7.368 9.838 1.00 0.00 H new ATOM 986 N ASN A 68 -10.007 -10.296 3.008 1.00 0.00 N ATOM 987 CA ASN A 68 -10.636 -11.183 2.036 1.00 0.00 C ATOM 988 C ASN A 68 -9.975 -11.046 0.667 1.00 0.00 C ATOM 989 O ASN A 68 -10.654 -10.988 -0.359 1.00 0.00 O ATOM 990 CB ASN A 68 -12.131 -10.876 1.926 1.00 0.00 C ATOM 991 CG ASN A 68 -12.877 -11.165 3.214 1.00 0.00 C ATOM 992 OD1 ASN A 68 -13.727 -12.054 3.265 1.00 0.00 O ATOM 993 ND2 ASN A 68 -12.561 -10.414 4.262 1.00 0.00 N ATOM 0 H ASN A 68 -9.569 -10.775 3.795 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.507 -12.209 2.381 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.265 -9.828 1.659 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.562 -11.468 1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.029 -10.563 5.156 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.850 -9.688 4.173 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.648 -10.996 0.660 1.00 0.00 N ATOM 1001 CA LEU A 69 -7.894 -10.867 -0.583 1.00 0.00 C ATOM 1002 C LEU A 69 -8.472 -11.771 -1.667 1.00 0.00 C ATOM 1003 O LEU A 69 -9.265 -12.669 -1.383 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.422 -11.211 -0.347 1.00 0.00 C ATOM 1005 CG LEU A 69 -5.676 -10.321 0.647 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.495 -11.067 1.249 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.211 -9.039 -0.029 1.00 0.00 C ATOM 0 H LEU A 69 -8.071 -11.043 1.500 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.970 -9.833 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.362 -12.242 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.902 -11.168 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.361 -10.055 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.976 -10.418 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.853 -11.955 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.809 -11.363 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.682 -8.418 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.543 -9.285 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.075 -8.495 -0.411 1.00 0.00 H new ATOM 1019 N ARG A 70 -8.068 -11.529 -2.909 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.545 -12.322 -4.036 1.00 0.00 C ATOM 1021 C ARG A 70 -7.455 -12.476 -5.093 1.00 0.00 C ATOM 1022 O ARG A 70 -6.723 -11.530 -5.386 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.784 -11.672 -4.656 1.00 0.00 C ATOM 1024 CG ARG A 70 -10.918 -11.458 -3.668 1.00 0.00 C ATOM 1025 CD ARG A 70 -12.189 -11.004 -4.368 1.00 0.00 C ATOM 1026 NE ARG A 70 -12.985 -12.133 -4.842 1.00 0.00 N ATOM 1027 CZ ARG A 70 -13.637 -12.963 -4.036 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -13.587 -12.792 -2.722 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -14.340 -13.967 -4.543 1.00 0.00 N ATOM 0 H ARG A 70 -7.411 -10.790 -3.161 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.809 -13.312 -3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.503 -10.711 -5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.140 -12.297 -5.475 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.110 -12.385 -3.127 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.622 -10.713 -2.929 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.785 -10.402 -3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.930 -10.364 -5.211 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.043 -12.293 -5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.047 -12.022 -2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.089 -13.431 -2.105 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.380 -14.102 -5.553 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.840 -14.604 -3.923 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.354 -13.672 -5.661 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.354 -13.949 -6.685 1.00 0.00 C ATOM 1045 C ILE A 71 -6.198 -12.766 -7.635 1.00 0.00 C ATOM 1046 O ILE A 71 -5.131 -12.556 -8.211 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.716 -15.204 -7.501 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.732 -16.439 -6.598 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.735 -15.392 -8.648 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -5.368 -16.811 -6.060 1.00 0.00 C ATOM 0 H ILE A 71 -7.952 -14.465 -5.430 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.411 -14.123 -6.166 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.713 -15.071 -7.921 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.407 -16.259 -5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.136 -17.283 -7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.005 -16.283 -9.215 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.769 -14.521 -9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.727 -15.507 -8.250 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.455 -17.695 -5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.695 -17.023 -6.891 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.970 -15.983 -5.473 1.00 0.00 H new ATOM 1062 N SER A 72 -7.270 -11.996 -7.793 1.00 0.00 N ATOM 1063 CA SER A 72 -7.254 -10.835 -8.675 1.00 0.00 C ATOM 1064 C SER A 72 -6.486 -9.680 -8.038 1.00 0.00 C ATOM 1065 O SER A 72 -5.723 -8.984 -8.708 1.00 0.00 O ATOM 1066 CB SER A 72 -8.682 -10.394 -9.000 1.00 0.00 C ATOM 1067 OG SER A 72 -8.686 -9.241 -9.823 1.00 0.00 O ATOM 0 H SER A 72 -8.160 -12.155 -7.322 1.00 0.00 H new ATOM 0 HA SER A 72 -6.750 -11.119 -9.599 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.211 -11.204 -9.502 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.221 -10.186 -8.076 1.00 0.00 H new ATOM 0 HG SER A 72 -9.611 -8.981 -10.017 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.694 -9.484 -6.741 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.021 -8.415 -6.012 1.00 0.00 C ATOM 1075 C ASP A 73 -4.582 -8.251 -6.493 1.00 0.00 C ATOM 1076 O ASP A 73 -4.095 -7.132 -6.660 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.040 -8.703 -4.510 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.426 -8.563 -3.911 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.411 -8.633 -4.675 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -7.525 -8.384 -2.679 1.00 0.00 O ATOM 0 H ASP A 73 -7.323 -10.051 -6.173 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.557 -7.485 -6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.671 -9.713 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.358 -8.020 -4.003 1.00 0.00 H new ATOM 1085 N THR A 74 -3.906 -9.374 -6.714 1.00 0.00 N ATOM 1086 CA THR A 74 -2.523 -9.355 -7.173 1.00 0.00 C ATOM 1087 C THR A 74 -2.296 -8.242 -8.190 1.00 0.00 C ATOM 1088 O THR A 74 -3.030 -8.125 -9.170 1.00 0.00 O ATOM 1089 CB THR A 74 -2.122 -10.702 -7.805 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.283 -11.757 -6.851 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.681 -10.664 -8.290 1.00 0.00 C ATOM 0 H THR A 74 -4.294 -10.308 -6.582 1.00 0.00 H new ATOM 0 HA THR A 74 -1.902 -9.174 -6.296 1.00 0.00 H new ATOM 0 HB THR A 74 -2.771 -10.885 -8.661 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.143 -12.203 -6.998 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.420 -11.626 -8.732 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.569 -9.879 -9.038 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.019 -10.461 -7.448 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.274 -7.427 -7.950 1.00 0.00 N ATOM 1100 CA GLY A 75 -0.968 -6.334 -8.855 1.00 0.00 C ATOM 1101 C GLY A 75 0.297 -5.595 -8.465 1.00 0.00 C ATOM 1102 O GLY A 75 1.279 -6.208 -8.044 1.00 0.00 O ATOM 0 H GLY A 75 -0.652 -7.504 -7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.860 -6.724 -9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.804 -5.634 -8.870 1.00 0.00 H new ATOM 1106 N THR A 76 0.276 -4.273 -8.607 1.00 0.00 N ATOM 1107 CA THR A 76 1.430 -3.450 -8.270 1.00 0.00 C ATOM 1108 C THR A 76 1.009 -2.198 -7.509 1.00 0.00 C ATOM 1109 O THR A 76 0.414 -1.284 -8.079 1.00 0.00 O ATOM 1110 CB THR A 76 2.210 -3.032 -9.531 1.00 0.00 C ATOM 1111 OG1 THR A 76 2.775 -4.187 -10.163 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.314 -2.046 -9.183 1.00 0.00 C ATOM 0 H THR A 76 -0.528 -3.750 -8.953 1.00 0.00 H new ATOM 0 HA THR A 76 2.077 -4.057 -7.636 1.00 0.00 H new ATOM 0 HB THR A 76 1.515 -2.547 -10.217 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.268 -3.913 -10.965 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.851 -1.766 -10.089 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.877 -1.156 -8.730 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.007 -2.509 -8.480 1.00 0.00 H new ATOM 1120 N TYR A 77 1.323 -2.163 -6.219 1.00 0.00 N ATOM 1121 CA TYR A 77 0.976 -1.023 -5.378 1.00 0.00 C ATOM 1122 C TYR A 77 2.017 0.084 -5.505 1.00 0.00 C ATOM 1123 O TYR A 77 3.221 -0.174 -5.493 1.00 0.00 O ATOM 1124 CB TYR A 77 0.853 -1.458 -3.917 1.00 0.00 C ATOM 1125 CG TYR A 77 -0.360 -2.318 -3.641 1.00 0.00 C ATOM 1126 CD1 TYR A 77 -1.609 -1.745 -3.432 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.258 -3.702 -3.589 1.00 0.00 C ATOM 1128 CE1 TYR A 77 -2.720 -2.526 -3.179 1.00 0.00 C ATOM 1129 CE2 TYR A 77 -1.364 -4.491 -3.338 1.00 0.00 C ATOM 1130 CZ TYR A 77 -2.592 -3.898 -3.133 1.00 0.00 C ATOM 1131 OH TYR A 77 -3.696 -4.681 -2.882 1.00 0.00 O ATOM 0 H TYR A 77 1.817 -2.911 -5.732 1.00 0.00 H new ATOM 0 HA TYR A 77 0.015 -0.634 -5.716 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.750 -2.008 -3.634 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.810 -0.571 -3.285 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.713 -0.671 -3.468 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.703 -4.170 -3.748 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.683 -2.065 -3.018 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.267 -5.566 -3.303 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.435 -5.625 -2.885 1.00 0.00 H new ATOM 1141 N THR A 78 1.545 1.321 -5.626 1.00 0.00 N ATOM 1142 CA THR A 78 2.433 2.470 -5.755 1.00 0.00 C ATOM 1143 C THR A 78 2.158 3.503 -4.668 1.00 0.00 C ATOM 1144 O THR A 78 1.250 4.325 -4.795 1.00 0.00 O ATOM 1145 CB THR A 78 2.287 3.140 -7.134 1.00 0.00 C ATOM 1146 OG1 THR A 78 2.455 2.168 -8.172 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.309 4.254 -7.305 1.00 0.00 C ATOM 0 H THR A 78 0.552 1.553 -5.637 1.00 0.00 H new ATOM 0 HA THR A 78 3.451 2.096 -5.647 1.00 0.00 H new ATOM 0 HB THR A 78 1.288 3.571 -7.200 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.359 2.602 -9.045 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.187 4.712 -8.286 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.159 5.007 -6.531 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.314 3.842 -7.220 1.00 0.00 H new ATOM 1155 N CYS A 79 2.947 3.456 -3.600 1.00 0.00 N ATOM 1156 CA CYS A 79 2.789 4.388 -2.490 1.00 0.00 C ATOM 1157 C CYS A 79 3.382 5.751 -2.836 1.00 0.00 C ATOM 1158 O CYS A 79 4.594 5.950 -2.760 1.00 0.00 O ATOM 1159 CB CYS A 79 3.457 3.833 -1.231 1.00 0.00 C ATOM 1160 SG CYS A 79 3.021 4.723 0.297 1.00 0.00 S ATOM 0 H CYS A 79 3.703 2.782 -3.480 1.00 0.00 H new ATOM 0 HA CYS A 79 1.723 4.513 -2.302 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.182 2.784 -1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.539 3.866 -1.362 1.00 0.00 H new ATOM 1165 N VAL A 80 2.518 6.687 -3.216 1.00 0.00 N ATOM 1166 CA VAL A 80 2.956 8.031 -3.572 1.00 0.00 C ATOM 1167 C VAL A 80 2.600 9.032 -2.479 1.00 0.00 C ATOM 1168 O VAL A 80 1.542 8.938 -1.858 1.00 0.00 O ATOM 1169 CB VAL A 80 2.327 8.493 -4.901 1.00 0.00 C ATOM 1170 CG1 VAL A 80 0.870 8.061 -4.981 1.00 0.00 C ATOM 1171 CG2 VAL A 80 2.453 10.001 -5.054 1.00 0.00 C ATOM 0 H VAL A 80 1.511 6.539 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 80 4.039 7.991 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 80 2.867 8.021 -5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.443 8.396 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.809 6.974 -4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.314 8.503 -4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.004 10.310 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.939 10.495 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.506 10.281 -5.045 1.00 0.00 H new ATOM 1181 N ALA A 81 3.490 9.992 -2.250 1.00 0.00 N ATOM 1182 CA ALA A 81 3.269 11.013 -1.234 1.00 0.00 C ATOM 1183 C ALA A 81 3.454 12.412 -1.812 1.00 0.00 C ATOM 1184 O ALA A 81 4.580 12.877 -1.994 1.00 0.00 O ATOM 1185 CB ALA A 81 4.209 10.798 -0.057 1.00 0.00 C ATOM 0 H ALA A 81 4.371 10.084 -2.755 1.00 0.00 H new ATOM 0 HA ALA A 81 2.240 10.926 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.033 11.568 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.027 9.816 0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.242 10.856 -0.401 1.00 0.00 H new ATOM 1191 N THR A 82 2.341 13.080 -2.099 1.00 0.00 N ATOM 1192 CA THR A 82 2.380 14.425 -2.658 1.00 0.00 C ATOM 1193 C THR A 82 2.410 15.478 -1.556 1.00 0.00 C ATOM 1194 O THR A 82 1.901 15.255 -0.457 1.00 0.00 O ATOM 1195 CB THR A 82 1.169 14.689 -3.572 1.00 0.00 C ATOM 1196 OG1 THR A 82 1.094 13.684 -4.589 1.00 0.00 O ATOM 1197 CG2 THR A 82 1.267 16.063 -4.217 1.00 0.00 C ATOM 0 H THR A 82 1.401 12.711 -1.953 1.00 0.00 H new ATOM 0 HA THR A 82 3.293 14.495 -3.249 1.00 0.00 H new ATOM 0 HB THR A 82 0.267 14.655 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.663 13.940 -5.345 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.401 16.227 -4.858 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.294 16.828 -3.441 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.177 16.120 -4.815 1.00 0.00 H new ATOM 1205 N SER A 83 3.008 16.626 -1.857 1.00 0.00 N ATOM 1206 CA SER A 83 3.106 17.713 -0.890 1.00 0.00 C ATOM 1207 C SER A 83 3.474 19.023 -1.580 1.00 0.00 C ATOM 1208 O SER A 83 4.044 19.024 -2.671 1.00 0.00 O ATOM 1209 CB SER A 83 4.146 17.379 0.182 1.00 0.00 C ATOM 1210 OG SER A 83 5.436 17.236 -0.387 1.00 0.00 O ATOM 0 H SER A 83 3.432 16.828 -2.763 1.00 0.00 H new ATOM 0 HA SER A 83 2.132 17.833 -0.416 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.162 18.167 0.935 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.865 16.457 0.691 1.00 0.00 H new ATOM 0 HG SER A 83 5.359 17.186 -1.363 1.00 0.00 H new ATOM 1216 N SER A 84 3.144 20.138 -0.935 1.00 0.00 N ATOM 1217 CA SER A 84 3.436 21.455 -1.488 1.00 0.00 C ATOM 1218 C SER A 84 4.875 21.528 -1.988 1.00 0.00 C ATOM 1219 O SER A 84 5.173 22.225 -2.958 1.00 0.00 O ATOM 1220 CB SER A 84 3.195 22.538 -0.434 1.00 0.00 C ATOM 1221 OG SER A 84 3.085 23.818 -1.034 1.00 0.00 O ATOM 0 H SER A 84 2.675 20.155 -0.030 1.00 0.00 H new ATOM 0 HA SER A 84 2.768 21.624 -2.332 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.284 22.314 0.121 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.014 22.539 0.285 1.00 0.00 H new ATOM 0 HG SER A 84 2.930 24.492 -0.340 1.00 0.00 H new ATOM 1227 N SER A 85 5.765 20.803 -1.318 1.00 0.00 N ATOM 1228 CA SER A 85 7.175 20.787 -1.690 1.00 0.00 C ATOM 1229 C SER A 85 7.390 19.985 -2.971 1.00 0.00 C ATOM 1230 O SER A 85 7.646 20.548 -4.034 1.00 0.00 O ATOM 1231 CB SER A 85 8.017 20.197 -0.558 1.00 0.00 C ATOM 1232 OG SER A 85 8.140 21.112 0.517 1.00 0.00 O ATOM 0 H SER A 85 5.535 20.219 -0.514 1.00 0.00 H new ATOM 0 HA SER A 85 7.490 21.815 -1.868 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.559 19.274 -0.203 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.007 19.938 -0.934 1.00 0.00 H new ATOM 0 HG SER A 85 8.681 20.710 1.228 1.00 0.00 H new ATOM 1238 N GLY A 86 7.282 18.664 -2.859 1.00 0.00 N ATOM 1239 CA GLY A 86 7.468 17.805 -4.014 1.00 0.00 C ATOM 1240 C GLY A 86 6.553 16.597 -3.990 1.00 0.00 C ATOM 1241 O GLY A 86 5.441 16.663 -3.466 1.00 0.00 O ATOM 0 H GLY A 86 7.069 18.174 -1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.284 18.378 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.505 17.471 -4.052 1.00 0.00 H new ATOM 1245 N GLU A 87 7.021 15.491 -4.560 1.00 0.00 N ATOM 1246 CA GLU A 87 6.235 14.263 -4.604 1.00 0.00 C ATOM 1247 C GLU A 87 7.114 13.066 -4.952 1.00 0.00 C ATOM 1248 O GLU A 87 8.002 13.158 -5.800 1.00 0.00 O ATOM 1249 CB GLU A 87 5.103 14.393 -5.625 1.00 0.00 C ATOM 1250 CG GLU A 87 4.343 13.097 -5.859 1.00 0.00 C ATOM 1251 CD GLU A 87 3.663 13.057 -7.214 1.00 0.00 C ATOM 1252 OE1 GLU A 87 2.574 13.653 -7.350 1.00 0.00 O ATOM 1253 OE2 GLU A 87 4.221 12.429 -8.139 1.00 0.00 O ATOM 0 H GLU A 87 7.940 15.420 -4.997 1.00 0.00 H new ATOM 0 HA GLU A 87 5.806 14.101 -3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.405 15.158 -5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.517 14.738 -6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.032 12.256 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.594 12.973 -5.077 1.00 0.00 H new ATOM 1260 N THR A 88 6.861 11.941 -4.290 1.00 0.00 N ATOM 1261 CA THR A 88 7.630 10.726 -4.527 1.00 0.00 C ATOM 1262 C THR A 88 6.719 9.506 -4.609 1.00 0.00 C ATOM 1263 O THR A 88 5.677 9.453 -3.956 1.00 0.00 O ATOM 1264 CB THR A 88 8.676 10.497 -3.419 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.512 9.385 -3.756 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.999 10.242 -2.081 1.00 0.00 C ATOM 0 H THR A 88 6.129 11.846 -3.586 1.00 0.00 H new ATOM 0 HA THR A 88 8.143 10.858 -5.479 1.00 0.00 H new ATOM 0 HB THR A 88 9.286 11.396 -3.334 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.175 9.248 -3.047 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.757 10.083 -1.314 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.387 11.103 -1.813 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.367 9.357 -2.156 1.00 0.00 H new ATOM 1274 N SER A 89 7.119 8.528 -5.416 1.00 0.00 N ATOM 1275 CA SER A 89 6.336 7.310 -5.586 1.00 0.00 C ATOM 1276 C SER A 89 7.185 6.074 -5.303 1.00 0.00 C ATOM 1277 O SER A 89 8.383 6.054 -5.584 1.00 0.00 O ATOM 1278 CB SER A 89 5.767 7.237 -7.004 1.00 0.00 C ATOM 1279 OG SER A 89 6.804 7.121 -7.964 1.00 0.00 O ATOM 0 H SER A 89 7.980 8.556 -5.962 1.00 0.00 H new ATOM 0 HA SER A 89 5.512 7.335 -4.873 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.094 6.383 -7.086 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.176 8.130 -7.209 1.00 0.00 H new ATOM 0 HG SER A 89 6.415 7.074 -8.862 1.00 0.00 H new ATOM 1285 N TRP A 90 6.556 5.047 -4.744 1.00 0.00 N ATOM 1286 CA TRP A 90 7.253 3.807 -4.422 1.00 0.00 C ATOM 1287 C TRP A 90 6.785 2.670 -5.323 1.00 0.00 C ATOM 1288 O TRP A 90 5.819 2.816 -6.072 1.00 0.00 O ATOM 1289 CB TRP A 90 7.028 3.438 -2.955 1.00 0.00 C ATOM 1290 CG TRP A 90 8.142 2.625 -2.369 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.204 1.263 -2.279 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.353 3.122 -1.791 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.381 0.885 -1.680 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.104 2.006 -1.371 1.00 0.00 C ATOM 1295 CE3 TRP A 90 9.878 4.402 -1.589 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.349 2.134 -0.761 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.114 4.526 -0.983 1.00 0.00 C ATOM 1298 CH2 TRP A 90 11.839 3.398 -0.575 1.00 0.00 C ATOM 0 H TRP A 90 5.565 5.048 -4.504 1.00 0.00 H new ATOM 0 HA TRP A 90 8.318 3.964 -4.590 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.909 4.351 -2.372 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.096 2.880 -2.867 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.440 0.584 -2.627 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.670 -0.076 -1.495 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.328 5.278 -1.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.909 1.266 -0.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.529 5.510 -0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.803 3.529 -0.105 1.00 0.00 H new ATOM 1309 N SER A 91 7.476 1.537 -5.246 1.00 0.00 N ATOM 1310 CA SER A 91 7.132 0.375 -6.058 1.00 0.00 C ATOM 1311 C SER A 91 7.044 -0.882 -5.198 1.00 0.00 C ATOM 1312 O SER A 91 7.838 -1.074 -4.277 1.00 0.00 O ATOM 1313 CB SER A 91 8.168 0.177 -7.166 1.00 0.00 C ATOM 1314 OG SER A 91 9.475 0.067 -6.630 1.00 0.00 O ATOM 0 H SER A 91 8.277 1.399 -4.630 1.00 0.00 H new ATOM 0 HA SER A 91 6.156 0.554 -6.510 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.929 -0.721 -7.735 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.126 1.016 -7.861 1.00 0.00 H new ATOM 0 HG SER A 91 10.118 -0.061 -7.359 1.00 0.00 H new ATOM 1320 N ALA A 92 6.073 -1.735 -5.506 1.00 0.00 N ATOM 1321 CA ALA A 92 5.882 -2.975 -4.764 1.00 0.00 C ATOM 1322 C ALA A 92 5.175 -4.023 -5.618 1.00 0.00 C ATOM 1323 O ALA A 92 4.863 -3.780 -6.784 1.00 0.00 O ATOM 1324 CB ALA A 92 5.094 -2.711 -3.490 1.00 0.00 C ATOM 0 H ALA A 92 5.406 -1.590 -6.264 1.00 0.00 H new ATOM 0 HA ALA A 92 6.864 -3.365 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.959 -3.646 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.639 -2.003 -2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.119 -2.295 -3.745 1.00 0.00 H new ATOM 1330 N VAL A 93 4.926 -5.189 -5.030 1.00 0.00 N ATOM 1331 CA VAL A 93 4.256 -6.273 -5.737 1.00 0.00 C ATOM 1332 C VAL A 93 3.581 -7.231 -4.762 1.00 0.00 C ATOM 1333 O VAL A 93 4.236 -7.820 -3.900 1.00 0.00 O ATOM 1334 CB VAL A 93 5.242 -7.064 -6.617 1.00 0.00 C ATOM 1335 CG1 VAL A 93 4.528 -8.202 -7.330 1.00 0.00 C ATOM 1336 CG2 VAL A 93 5.922 -6.141 -7.617 1.00 0.00 C ATOM 0 H VAL A 93 5.178 -5.407 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 93 3.500 -5.815 -6.374 1.00 0.00 H new ATOM 0 HB VAL A 93 6.010 -7.495 -5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.241 -8.749 -7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.093 -8.877 -6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.738 -7.797 -7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.615 -6.717 -8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.169 -5.679 -8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 93 6.469 -5.365 -7.082 1.00 0.00 H new ATOM 1346 N LEU A 94 2.269 -7.383 -4.903 1.00 0.00 N ATOM 1347 CA LEU A 94 1.504 -8.271 -4.034 1.00 0.00 C ATOM 1348 C LEU A 94 1.130 -9.558 -4.763 1.00 0.00 C ATOM 1349 O LEU A 94 0.378 -9.534 -5.737 1.00 0.00 O ATOM 1350 CB LEU A 94 0.241 -7.567 -3.537 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.399 -8.146 -2.275 1.00 0.00 C ATOM 1352 CD1 LEU A 94 -0.794 -9.598 -2.495 1.00 0.00 C ATOM 1353 CD2 LEU A 94 0.550 -8.023 -1.092 1.00 0.00 C ATOM 0 H LEU A 94 1.713 -6.903 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 94 2.129 -8.529 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.482 -6.521 -3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.499 -7.585 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.301 -7.575 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.248 -9.993 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.510 -9.660 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.092 -10.183 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.078 -8.440 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.469 -8.569 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.783 -6.972 -0.920 1.00 0.00 H new ATOM 1365 N ASP A 95 1.659 -10.678 -4.284 1.00 0.00 N ATOM 1366 CA ASP A 95 1.378 -11.975 -4.888 1.00 0.00 C ATOM 1367 C ASP A 95 0.434 -12.791 -4.011 1.00 0.00 C ATOM 1368 O ASP A 95 0.848 -13.372 -3.008 1.00 0.00 O ATOM 1369 CB ASP A 95 2.679 -12.749 -5.115 1.00 0.00 C ATOM 1370 CG ASP A 95 2.582 -13.715 -6.279 1.00 0.00 C ATOM 1371 OD1 ASP A 95 1.769 -14.659 -6.199 1.00 0.00 O ATOM 1372 OD2 ASP A 95 3.320 -13.528 -7.269 1.00 0.00 O ATOM 0 H ASP A 95 2.285 -10.714 -3.479 1.00 0.00 H new ATOM 0 HA ASP A 95 0.894 -11.802 -5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.490 -12.044 -5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.933 -13.300 -4.210 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.839 -12.827 -4.395 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.843 -13.571 -3.643 1.00 0.00 C ATOM 1379 C VAL A 96 -1.919 -15.020 -4.112 1.00 0.00 C ATOM 1380 O VAL A 96 -2.284 -15.296 -5.255 1.00 0.00 O ATOM 1381 CB VAL A 96 -3.235 -12.926 -3.776 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.283 -13.766 -3.063 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -3.218 -11.505 -3.233 1.00 0.00 C ATOM 0 H VAL A 96 -1.199 -12.350 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.538 -13.547 -2.597 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.497 -12.883 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.260 -13.295 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.312 -14.763 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.029 -13.844 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.210 -11.065 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.935 -11.521 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.497 -10.910 -3.794 1.00 0.00 H new ATOM 1393 N THR A 97 -1.571 -15.943 -3.221 1.00 0.00 N ATOM 1394 CA THR A 97 -1.599 -17.364 -3.542 1.00 0.00 C ATOM 1395 C THR A 97 -2.728 -18.074 -2.803 1.00 0.00 C ATOM 1396 O THR A 97 -3.097 -17.684 -1.695 1.00 0.00 O ATOM 1397 CB THR A 97 -0.263 -18.046 -3.192 1.00 0.00 C ATOM 1398 OG1 THR A 97 0.078 -17.783 -1.827 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.851 -17.553 -4.103 1.00 0.00 C ATOM 0 H THR A 97 -1.266 -15.731 -2.271 1.00 0.00 H new ATOM 0 HA THR A 97 -1.767 -17.441 -4.616 1.00 0.00 H new ATOM 0 HB THR A 97 -0.380 -19.120 -3.336 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.053 -17.775 -1.729 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.785 -18.049 -3.837 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.601 -17.781 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.966 -16.475 -3.987 1.00 0.00 H new ATOM 1407 N GLU A 98 -3.271 -19.117 -3.422 1.00 0.00 N ATOM 1408 CA GLU A 98 -4.359 -19.880 -2.820 1.00 0.00 C ATOM 1409 C GLU A 98 -3.859 -20.693 -1.629 1.00 0.00 C ATOM 1410 O GLU A 98 -4.486 -20.711 -0.570 1.00 0.00 O ATOM 1411 CB GLU A 98 -4.993 -20.810 -3.856 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.995 -20.117 -4.764 1.00 0.00 C ATOM 1413 CD GLU A 98 -7.319 -19.851 -4.074 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -7.691 -20.637 -3.179 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -7.983 -18.855 -4.431 1.00 0.00 O ATOM 0 H GLU A 98 -2.976 -19.453 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.111 -19.175 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.205 -21.250 -4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.491 -21.630 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.574 -19.173 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.167 -20.733 -5.647 1.00 0.00 H new ATOM 1422 N SER A 99 -2.726 -21.364 -1.812 1.00 0.00 N ATOM 1423 CA SER A 99 -2.144 -22.182 -0.755 1.00 0.00 C ATOM 1424 C SER A 99 -0.767 -21.659 -0.359 1.00 0.00 C ATOM 1425 O SER A 99 0.169 -22.431 -0.156 1.00 0.00 O ATOM 1426 CB SER A 99 -2.037 -23.639 -1.209 1.00 0.00 C ATOM 1427 OG SER A 99 -1.372 -23.737 -2.457 1.00 0.00 O ATOM 0 H SER A 99 -2.193 -21.357 -2.682 1.00 0.00 H new ATOM 0 HA SER A 99 -2.798 -22.127 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.497 -24.218 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.034 -24.072 -1.290 1.00 0.00 H new ATOM 0 HG SER A 99 -1.315 -24.678 -2.724 1.00 0.00 H new ATOM 1433 N GLY A 100 -0.651 -20.339 -0.251 1.00 0.00 N ATOM 1434 CA GLY A 100 0.615 -19.733 0.120 1.00 0.00 C ATOM 1435 C GLY A 100 1.310 -20.482 1.239 1.00 0.00 C ATOM 1436 O GLY A 100 0.710 -20.755 2.279 1.00 0.00 O ATOM 0 H GLY A 100 -1.411 -19.678 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.268 -19.701 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.444 -18.702 0.429 1.00 0.00 H new TER 1440 GLY A 100