USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 848 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 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.464 K(o=-0.46,f=-5.7!) USER MOD Single : A 18 MET CE :methyl -124:sc= -0.372 (180deg=-1.01) USER MOD Single : A 19 MET CE :methyl 165:sc= -0.124 (180deg=-0.967) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= -0.0464 (180deg=-0.218) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.1 K(o=1.1,f=-3.1!) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.146) USER MOD Single : A 65 SER OG : rot -160:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 102 LYS NZ :NH3+ -159:sc= -0.0894 (180deg=-0.568) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 106 MET CE :methyl -155:sc= -1.46 (180deg=-2.18) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 9.740 3.838 -3.929 1.00 0.00 N ATOM 42 CA LEU A 4 10.949 3.064 -4.166 1.00 0.00 C ATOM 43 C LEU A 4 10.587 1.629 -4.551 1.00 0.00 C ATOM 44 O LEU A 4 10.301 0.800 -3.685 1.00 0.00 O ATOM 45 CB LEU A 4 11.833 3.111 -2.911 1.00 0.00 C ATOM 46 CG LEU A 4 13.007 2.130 -2.980 1.00 0.00 C ATOM 47 CD1 LEU A 4 13.847 2.363 -4.233 1.00 0.00 C ATOM 48 CD2 LEU A 4 13.896 2.330 -1.759 1.00 0.00 C ATOM 0 HA LEU A 4 11.510 3.493 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.217 4.123 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.226 2.884 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 4 12.605 1.117 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.673 1.652 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 4 13.226 2.225 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.243 3.379 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.734 1.635 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.273 3.353 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.317 2.146 -0.854 1.00 0.00 H new ATOM 60 N THR A 5 10.603 1.342 -5.855 1.00 0.00 N ATOM 61 CA THR A 5 10.362 0.001 -6.375 1.00 0.00 C ATOM 62 C THR A 5 11.243 -0.334 -7.578 1.00 0.00 C ATOM 63 O THR A 5 11.636 -1.488 -7.742 1.00 0.00 O ATOM 64 CB THR A 5 8.875 -0.207 -6.715 1.00 0.00 C ATOM 65 OG1 THR A 5 8.590 0.363 -7.976 1.00 0.00 O ATOM 66 CG2 THR A 5 7.947 0.407 -5.667 1.00 0.00 C ATOM 0 H THR A 5 10.784 2.037 -6.579 1.00 0.00 H new ATOM 0 HA THR A 5 10.636 -0.690 -5.578 1.00 0.00 H new ATOM 0 HB THR A 5 8.695 -1.282 -6.731 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.643 0.227 -8.190 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.910 0.233 -5.953 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.138 -0.053 -4.698 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.131 1.479 -5.602 1.00 0.00 H new ATOM 74 N GLN A 6 11.563 0.653 -8.418 1.00 0.00 N ATOM 75 CA GLN A 6 12.407 0.422 -9.583 1.00 0.00 C ATOM 76 C GLN A 6 13.867 0.448 -9.135 1.00 0.00 C ATOM 77 O GLN A 6 14.374 1.506 -8.764 1.00 0.00 O ATOM 78 CB GLN A 6 12.148 1.496 -10.643 1.00 0.00 C ATOM 79 CG GLN A 6 10.650 1.758 -10.858 1.00 0.00 C ATOM 80 CD GLN A 6 9.887 0.527 -11.332 1.00 0.00 C ATOM 81 OE1 GLN A 6 10.471 -0.436 -11.818 1.00 0.00 O ATOM 82 NE2 GLN A 6 8.566 0.554 -11.195 1.00 0.00 N ATOM 0 H GLN A 6 11.249 1.617 -8.310 1.00 0.00 H new ATOM 0 HA GLN A 6 12.178 -0.547 -10.026 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.637 2.423 -10.344 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.599 1.188 -11.586 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.212 2.112 -9.925 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.529 2.557 -11.590 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.112 1.371 -10.787 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.005 -0.242 -11.498 1.00 0.00 H new ATOM 91 N ILE A 7 14.538 -0.702 -9.169 1.00 0.00 N ATOM 92 CA ILE A 7 15.914 -0.798 -8.706 1.00 0.00 C ATOM 93 C ILE A 7 16.797 -1.477 -9.747 1.00 0.00 C ATOM 94 O ILE A 7 16.422 -2.502 -10.314 1.00 0.00 O ATOM 95 CB ILE A 7 15.954 -1.518 -7.353 1.00 0.00 C ATOM 96 CG1 ILE A 7 15.176 -0.684 -6.323 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.408 -1.714 -6.905 1.00 0.00 C ATOM 98 CD1 ILE A 7 15.239 -1.288 -4.921 1.00 0.00 C ATOM 0 H ILE A 7 14.147 -1.579 -9.513 1.00 0.00 H new ATOM 0 HA ILE A 7 16.316 0.205 -8.566 1.00 0.00 H new ATOM 0 HB ILE A 7 15.492 -2.501 -7.442 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.580 0.328 -6.299 1.00 0.00 H new ATOM 0 HG13 ILE A 7 14.135 -0.604 -6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.426 -2.226 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.939 -2.313 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.893 -0.743 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.674 -0.662 -4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.810 -2.290 -4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.278 -1.343 -4.595 1.00 0.00 H new ATOM 110 N LEU A 8 17.981 -0.900 -9.992 1.00 0.00 N ATOM 111 CA LEU A 8 18.979 -1.491 -10.868 1.00 0.00 C ATOM 112 C LEU A 8 20.018 -2.249 -10.037 1.00 0.00 C ATOM 113 O LEU A 8 20.241 -1.916 -8.875 1.00 0.00 O ATOM 114 CB LEU A 8 19.650 -0.405 -11.716 1.00 0.00 C ATOM 115 CG LEU A 8 20.325 -1.027 -12.948 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.314 -1.119 -14.092 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.504 -0.184 -13.412 1.00 0.00 C ATOM 0 H LEU A 8 18.266 -0.010 -9.584 1.00 0.00 H new ATOM 0 HA LEU A 8 18.491 -2.196 -11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.908 0.329 -12.032 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.390 0.127 -11.118 1.00 0.00 H new ATOM 0 HG LEU A 8 20.684 -2.018 -12.671 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.793 -1.560 -14.966 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.473 -1.742 -13.786 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.954 -0.121 -14.341 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.962 -0.649 -14.285 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.156 0.815 -13.673 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.239 -0.114 -12.610 1.00 0.00 H new ATOM 129 N ILE A 9 20.648 -3.262 -10.629 1.00 0.00 N ATOM 130 CA ILE A 9 21.707 -4.014 -9.974 1.00 0.00 C ATOM 131 C ILE A 9 22.960 -3.953 -10.848 1.00 0.00 C ATOM 132 O ILE A 9 22.863 -4.020 -12.071 1.00 0.00 O ATOM 133 CB ILE A 9 21.243 -5.460 -9.734 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.879 -5.492 -9.033 1.00 0.00 C ATOM 135 CG2 ILE A 9 22.287 -6.216 -8.908 1.00 0.00 C ATOM 136 CD1 ILE A 9 19.270 -6.890 -9.114 1.00 0.00 C ATOM 0 H ILE A 9 20.436 -3.581 -11.574 1.00 0.00 H new ATOM 0 HA ILE A 9 21.943 -3.583 -9.001 1.00 0.00 H new ATOM 0 HB ILE A 9 21.134 -5.950 -10.701 1.00 0.00 H new ATOM 0 HG12 ILE A 9 19.993 -5.198 -7.990 1.00 0.00 H new ATOM 0 HG13 ILE A 9 19.208 -4.769 -9.497 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.949 -7.239 -8.743 1.00 0.00 H new ATOM 0 HG22 ILE A 9 23.236 -6.229 -9.445 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.420 -5.719 -7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 9 18.303 -6.895 -8.612 1.00 0.00 H new ATOM 0 HD12 ILE A 9 19.138 -7.169 -10.159 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.934 -7.605 -8.629 1.00 0.00 H new ATOM 148 N VAL A 10 24.136 -3.826 -10.225 1.00 0.00 N ATOM 149 CA VAL A 10 25.387 -3.706 -10.956 1.00 0.00 C ATOM 150 C VAL A 10 26.482 -4.545 -10.307 1.00 0.00 C ATOM 151 O VAL A 10 27.083 -4.131 -9.316 1.00 0.00 O ATOM 152 CB VAL A 10 25.810 -2.234 -11.071 1.00 0.00 C ATOM 153 CG1 VAL A 10 27.002 -2.113 -12.016 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.660 -1.367 -11.589 1.00 0.00 C ATOM 0 H VAL A 10 24.240 -3.804 -9.211 1.00 0.00 H new ATOM 0 HA VAL A 10 25.230 -4.090 -11.964 1.00 0.00 H new ATOM 0 HB VAL A 10 26.087 -1.882 -10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.299 -1.067 -12.095 1.00 0.00 H new ATOM 0 HG12 VAL A 10 27.835 -2.699 -11.627 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.724 -2.487 -13.002 1.00 0.00 H new ATOM 0 HG21 VAL A 10 24.989 -0.330 -11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.354 -1.719 -12.574 1.00 0.00 H new ATOM 0 HG23 VAL A 10 23.816 -1.434 -10.902 1.00 0.00 H new ATOM 164 N GLU A 11 26.744 -5.727 -10.871 1.00 0.00 N ATOM 165 CA GLU A 11 27.749 -6.643 -10.359 1.00 0.00 C ATOM 166 C GLU A 11 28.035 -7.729 -11.389 1.00 0.00 C ATOM 167 O GLU A 11 27.319 -7.854 -12.382 1.00 0.00 O ATOM 168 CB GLU A 11 27.257 -7.262 -9.048 1.00 0.00 C ATOM 169 CG GLU A 11 25.990 -8.091 -9.267 1.00 0.00 C ATOM 170 CD GLU A 11 25.387 -8.529 -7.935 1.00 0.00 C ATOM 171 OE1 GLU A 11 26.060 -8.330 -6.898 1.00 0.00 O ATOM 172 OE2 GLU A 11 24.258 -9.061 -7.973 1.00 0.00 O ATOM 0 H GLU A 11 26.259 -6.071 -11.700 1.00 0.00 H new ATOM 0 HA GLU A 11 28.673 -6.098 -10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 11 28.039 -7.893 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 11 27.057 -6.473 -8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 11 25.260 -7.506 -9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 11 26.224 -8.968 -9.870 1.00 0.00 H new ATOM 179 N ASP A 12 29.087 -8.521 -11.156 1.00 0.00 N ATOM 180 CA ASP A 12 29.503 -9.563 -12.085 1.00 0.00 C ATOM 181 C ASP A 12 29.187 -10.984 -11.590 1.00 0.00 C ATOM 182 O ASP A 12 29.177 -11.927 -12.379 1.00 0.00 O ATOM 183 CB ASP A 12 30.980 -9.363 -12.436 1.00 0.00 C ATOM 184 CG ASP A 12 31.575 -10.548 -13.196 1.00 0.00 C ATOM 185 OD1 ASP A 12 30.994 -10.920 -14.238 1.00 0.00 O ATOM 186 OD2 ASP A 12 32.613 -11.064 -12.722 1.00 0.00 O ATOM 0 H ASP A 12 29.668 -8.454 -10.320 1.00 0.00 H new ATOM 0 HA ASP A 12 28.913 -9.465 -12.996 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.086 -8.461 -13.038 1.00 0.00 H new ATOM 0 HB3 ASP A 12 31.548 -9.203 -11.519 1.00 0.00 H new ATOM 191 N GLU A 13 28.927 -11.152 -10.287 1.00 0.00 N ATOM 192 CA GLU A 13 28.643 -12.471 -9.740 1.00 0.00 C ATOM 193 C GLU A 13 27.202 -12.870 -10.088 1.00 0.00 C ATOM 194 O GLU A 13 26.281 -12.087 -9.861 1.00 0.00 O ATOM 195 CB GLU A 13 28.844 -12.448 -8.216 1.00 0.00 C ATOM 196 CG GLU A 13 28.719 -13.848 -7.605 1.00 0.00 C ATOM 197 CD GLU A 13 29.899 -14.759 -7.969 1.00 0.00 C ATOM 198 OE1 GLU A 13 30.812 -14.282 -8.678 1.00 0.00 O ATOM 199 OE2 GLU A 13 29.869 -15.927 -7.528 1.00 0.00 O ATOM 0 H GLU A 13 28.909 -10.395 -9.604 1.00 0.00 H new ATOM 0 HA GLU A 13 29.323 -13.205 -10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 13 29.827 -12.037 -7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.107 -11.786 -7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 13 28.652 -13.762 -6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.791 -14.308 -7.946 1.00 0.00 H new ATOM 206 N PRO A 14 26.990 -14.081 -10.628 1.00 0.00 N ATOM 207 CA PRO A 14 25.667 -14.573 -10.964 1.00 0.00 C ATOM 208 C PRO A 14 24.849 -14.894 -9.719 1.00 0.00 C ATOM 209 O PRO A 14 23.655 -14.602 -9.675 1.00 0.00 O ATOM 210 CB PRO A 14 25.894 -15.841 -11.782 1.00 0.00 C ATOM 211 CG PRO A 14 27.313 -16.294 -11.439 1.00 0.00 C ATOM 212 CD PRO A 14 28.029 -15.028 -10.981 1.00 0.00 C ATOM 0 HA PRO A 14 25.105 -13.819 -11.514 1.00 0.00 H new ATOM 0 HB2 PRO A 14 25.164 -16.609 -11.528 1.00 0.00 H new ATOM 0 HB3 PRO A 14 25.791 -15.644 -12.849 1.00 0.00 H new ATOM 0 HG2 PRO A 14 27.307 -17.051 -10.654 1.00 0.00 H new ATOM 0 HG3 PRO A 14 27.807 -16.736 -12.304 1.00 0.00 H new ATOM 0 HD2 PRO A 14 28.675 -15.233 -10.127 1.00 0.00 H new ATOM 0 HD3 PRO A 14 28.664 -14.632 -11.773 1.00 0.00 H new ATOM 220 N LEU A 15 25.482 -15.493 -8.709 1.00 0.00 N ATOM 221 CA LEU A 15 24.770 -15.977 -7.532 1.00 0.00 C ATOM 222 C LEU A 15 24.099 -14.822 -6.797 1.00 0.00 C ATOM 223 O LEU A 15 22.959 -14.953 -6.356 1.00 0.00 O ATOM 224 CB LEU A 15 25.754 -16.693 -6.596 1.00 0.00 C ATOM 225 CG LEU A 15 25.925 -18.160 -6.989 1.00 0.00 C ATOM 226 CD1 LEU A 15 26.606 -18.309 -8.347 1.00 0.00 C ATOM 227 CD2 LEU A 15 26.780 -18.863 -5.936 1.00 0.00 C ATOM 0 H LEU A 15 26.489 -15.653 -8.686 1.00 0.00 H new ATOM 0 HA LEU A 15 23.997 -16.676 -7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.721 -16.191 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 15 25.395 -16.629 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 15 24.933 -18.606 -7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.708 -19.367 -8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 15 26.004 -17.819 -9.112 1.00 0.00 H new ATOM 0 HD13 LEU A 15 27.593 -17.848 -8.312 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.906 -19.910 -6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 15 27.757 -18.382 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 15 26.288 -18.799 -4.966 1.00 0.00 H new ATOM 239 N ILE A 16 24.791 -13.687 -6.659 1.00 0.00 N ATOM 240 CA ILE A 16 24.226 -12.547 -5.953 1.00 0.00 C ATOM 241 C ILE A 16 23.157 -11.877 -6.818 1.00 0.00 C ATOM 242 O ILE A 16 22.203 -11.307 -6.290 1.00 0.00 O ATOM 243 CB ILE A 16 25.343 -11.552 -5.600 1.00 0.00 C ATOM 244 CG1 ILE A 16 26.521 -12.250 -4.900 1.00 0.00 C ATOM 245 CG2 ILE A 16 24.786 -10.441 -4.707 1.00 0.00 C ATOM 246 CD1 ILE A 16 26.116 -12.914 -3.584 1.00 0.00 C ATOM 0 H ILE A 16 25.732 -13.539 -7.024 1.00 0.00 H new ATOM 0 HA ILE A 16 23.758 -12.887 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 16 25.716 -11.121 -6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 16 26.941 -13.002 -5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.308 -11.520 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.582 -9.739 -4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 16 23.990 -9.916 -5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.389 -10.876 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 16 26.987 -13.391 -3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 16 25.722 -12.160 -2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.350 -13.665 -3.776 1.00 0.00 H new ATOM 258 N ALA A 17 23.305 -11.944 -8.144 1.00 0.00 N ATOM 259 CA ALA A 17 22.380 -11.286 -9.047 1.00 0.00 C ATOM 260 C ALA A 17 21.037 -12.002 -9.058 1.00 0.00 C ATOM 261 O ALA A 17 19.996 -11.353 -9.000 1.00 0.00 O ATOM 262 CB ALA A 17 22.984 -11.241 -10.452 1.00 0.00 C ATOM 0 H ALA A 17 24.060 -12.450 -8.608 1.00 0.00 H new ATOM 0 HA ALA A 17 22.209 -10.266 -8.702 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.289 -10.747 -11.131 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.923 -10.688 -10.427 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.171 -12.257 -10.800 1.00 0.00 H new ATOM 268 N MET A 18 21.046 -13.339 -9.132 1.00 0.00 N ATOM 269 CA MET A 18 19.807 -14.102 -9.187 1.00 0.00 C ATOM 270 C MET A 18 19.101 -14.069 -7.831 1.00 0.00 C ATOM 271 O MET A 18 17.883 -14.237 -7.767 1.00 0.00 O ATOM 272 CB MET A 18 20.107 -15.537 -9.629 1.00 0.00 C ATOM 273 CG MET A 18 20.985 -16.269 -8.613 1.00 0.00 C ATOM 274 SD MET A 18 21.431 -17.958 -9.100 1.00 0.00 S ATOM 275 CE MET A 18 22.512 -17.600 -10.516 1.00 0.00 C ATOM 0 H MET A 18 21.894 -13.905 -9.155 1.00 0.00 H new ATOM 0 HA MET A 18 19.135 -13.652 -9.918 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.171 -16.081 -9.760 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.606 -15.523 -10.598 1.00 0.00 H new ATOM 0 HG2 MET A 18 21.898 -15.694 -8.457 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.463 -16.304 -7.657 1.00 0.00 H new ATOM 0 HE1 MET A 18 22.139 -18.119 -11.399 1.00 0.00 H new ATOM 0 HE2 MET A 18 22.523 -16.526 -10.703 1.00 0.00 H new ATOM 0 HE3 MET A 18 23.524 -17.940 -10.296 1.00 0.00 H new ATOM 285 N MET A 19 19.853 -13.849 -6.748 1.00 0.00 N ATOM 286 CA MET A 19 19.263 -13.692 -5.429 1.00 0.00 C ATOM 287 C MET A 19 18.556 -12.344 -5.321 1.00 0.00 C ATOM 288 O MET A 19 17.489 -12.256 -4.718 1.00 0.00 O ATOM 289 CB MET A 19 20.349 -13.821 -4.358 1.00 0.00 C ATOM 290 CG MET A 19 20.729 -15.291 -4.169 1.00 0.00 C ATOM 291 SD MET A 19 21.965 -15.591 -2.881 1.00 0.00 S ATOM 292 CE MET A 19 20.982 -15.152 -1.421 1.00 0.00 C ATOM 0 H MET A 19 20.870 -13.777 -6.766 1.00 0.00 H new ATOM 0 HA MET A 19 18.523 -14.477 -5.273 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.227 -13.245 -4.648 1.00 0.00 H new ATOM 0 HB3 MET A 19 19.992 -13.405 -3.416 1.00 0.00 H new ATOM 0 HG2 MET A 19 19.829 -15.857 -3.929 1.00 0.00 H new ATOM 0 HG3 MET A 19 21.107 -15.679 -5.115 1.00 0.00 H new ATOM 0 HE1 MET A 19 21.478 -15.522 -0.524 1.00 0.00 H new ATOM 0 HE2 MET A 19 20.884 -14.068 -1.361 1.00 0.00 H new ATOM 0 HE3 MET A 19 19.992 -15.602 -1.500 1.00 0.00 H new ATOM 302 N LEU A 20 19.140 -11.293 -5.901 1.00 0.00 N ATOM 303 CA LEU A 20 18.558 -9.961 -5.841 1.00 0.00 C ATOM 304 C LEU A 20 17.333 -9.857 -6.748 1.00 0.00 C ATOM 305 O LEU A 20 16.434 -9.066 -6.475 1.00 0.00 O ATOM 306 CB LEU A 20 19.611 -8.928 -6.247 1.00 0.00 C ATOM 307 CG LEU A 20 20.660 -8.745 -5.147 1.00 0.00 C ATOM 308 CD1 LEU A 20 21.810 -7.898 -5.680 1.00 0.00 C ATOM 309 CD2 LEU A 20 20.055 -8.032 -3.941 1.00 0.00 C ATOM 0 H LEU A 20 20.018 -11.345 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 20 18.233 -9.765 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.099 -9.245 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.127 -7.974 -6.454 1.00 0.00 H new ATOM 0 HG LEU A 20 21.017 -9.729 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.558 -7.767 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.264 -8.398 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.432 -6.923 -5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.816 -7.911 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.687 -7.052 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.229 -8.623 -3.546 1.00 0.00 H new ATOM 321 N GLU A 21 17.288 -10.646 -7.826 1.00 0.00 N ATOM 322 CA GLU A 21 16.123 -10.666 -8.699 1.00 0.00 C ATOM 323 C GLU A 21 14.944 -11.325 -7.989 1.00 0.00 C ATOM 324 O GLU A 21 13.795 -10.941 -8.206 1.00 0.00 O ATOM 325 CB GLU A 21 16.459 -11.415 -9.991 1.00 0.00 C ATOM 326 CG GLU A 21 17.412 -10.583 -10.855 1.00 0.00 C ATOM 327 CD GLU A 21 17.865 -11.347 -12.102 1.00 0.00 C ATOM 328 OE1 GLU A 21 17.459 -12.524 -12.252 1.00 0.00 O ATOM 329 OE2 GLU A 21 18.612 -10.742 -12.903 1.00 0.00 O ATOM 0 H GLU A 21 18.041 -11.273 -8.109 1.00 0.00 H new ATOM 0 HA GLU A 21 15.844 -9.642 -8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.917 -12.375 -9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.545 -11.626 -10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.917 -9.659 -11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.284 -10.301 -10.265 1.00 0.00 H new ATOM 336 N ASP A 22 15.224 -12.320 -7.139 1.00 0.00 N ATOM 337 CA ASP A 22 14.187 -13.018 -6.397 1.00 0.00 C ATOM 338 C ASP A 22 13.654 -12.153 -5.252 1.00 0.00 C ATOM 339 O ASP A 22 12.444 -12.083 -5.027 1.00 0.00 O ATOM 340 CB ASP A 22 14.757 -14.345 -5.881 1.00 0.00 C ATOM 341 CG ASP A 22 13.767 -15.123 -5.018 1.00 0.00 C ATOM 342 OD1 ASP A 22 12.546 -14.923 -5.206 1.00 0.00 O ATOM 343 OD2 ASP A 22 14.242 -15.917 -4.177 1.00 0.00 O ATOM 0 H ASP A 22 16.169 -12.656 -6.953 1.00 0.00 H new ATOM 0 HA ASP A 22 13.343 -13.224 -7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.054 -14.961 -6.730 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.658 -14.146 -5.301 1.00 0.00 H new ATOM 348 N PHE A 23 14.558 -11.489 -4.524 1.00 0.00 N ATOM 349 CA PHE A 23 14.174 -10.697 -3.364 1.00 0.00 C ATOM 350 C PHE A 23 13.417 -9.413 -3.685 1.00 0.00 C ATOM 351 O PHE A 23 12.610 -8.954 -2.881 1.00 0.00 O ATOM 352 CB PHE A 23 15.391 -10.411 -2.487 1.00 0.00 C ATOM 353 CG PHE A 23 15.877 -11.605 -1.696 1.00 0.00 C ATOM 354 CD1 PHE A 23 14.990 -12.327 -0.881 1.00 0.00 C ATOM 355 CD2 PHE A 23 17.219 -11.993 -1.781 1.00 0.00 C ATOM 356 CE1 PHE A 23 15.449 -13.438 -0.161 1.00 0.00 C ATOM 357 CE2 PHE A 23 17.680 -13.098 -1.056 1.00 0.00 C ATOM 358 CZ PHE A 23 16.794 -13.823 -0.248 1.00 0.00 C ATOM 0 H PHE A 23 15.559 -11.488 -4.722 1.00 0.00 H new ATOM 0 HA PHE A 23 13.460 -11.312 -2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.204 -10.052 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.145 -9.606 -1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.955 -12.026 -0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.901 -11.438 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 23 14.766 -13.998 0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 23 18.717 -13.391 -1.119 1.00 0.00 H new ATOM 0 HZ PHE A 23 17.148 -14.679 0.308 1.00 0.00 H new ATOM 368 N LEU A 24 13.668 -8.822 -4.855 1.00 0.00 N ATOM 369 CA LEU A 24 12.992 -7.591 -5.225 1.00 0.00 C ATOM 370 C LEU A 24 11.568 -7.892 -5.687 1.00 0.00 C ATOM 371 O LEU A 24 10.664 -7.104 -5.428 1.00 0.00 O ATOM 372 CB LEU A 24 13.785 -6.869 -6.321 1.00 0.00 C ATOM 373 CG LEU A 24 15.075 -6.259 -5.756 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.937 -5.735 -6.900 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.745 -5.097 -4.820 1.00 0.00 C ATOM 0 H LEU A 24 14.326 -9.175 -5.550 1.00 0.00 H new ATOM 0 HA LEU A 24 12.935 -6.936 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.029 -7.570 -7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.170 -6.084 -6.762 1.00 0.00 H new ATOM 0 HG LEU A 24 15.612 -7.031 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.853 -5.302 -6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 24 16.189 -6.556 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.387 -4.972 -7.450 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.669 -4.673 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.200 -4.330 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.131 -5.458 -3.995 1.00 0.00 H new ATOM 387 N GLU A 25 11.359 -9.021 -6.365 1.00 0.00 N ATOM 388 CA GLU A 25 10.033 -9.364 -6.861 1.00 0.00 C ATOM 389 C GLU A 25 9.118 -9.851 -5.735 1.00 0.00 C ATOM 390 O GLU A 25 7.898 -9.746 -5.852 1.00 0.00 O ATOM 391 CB GLU A 25 10.151 -10.412 -7.962 1.00 0.00 C ATOM 392 CG GLU A 25 10.807 -9.802 -9.205 1.00 0.00 C ATOM 393 CD GLU A 25 10.870 -10.793 -10.364 1.00 0.00 C ATOM 394 OE1 GLU A 25 11.299 -10.360 -11.459 1.00 0.00 O ATOM 395 OE2 GLU A 25 10.492 -11.970 -10.155 1.00 0.00 O ATOM 0 H GLU A 25 12.085 -9.705 -6.580 1.00 0.00 H new ATOM 0 HA GLU A 25 9.578 -8.464 -7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.741 -11.257 -7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.163 -10.797 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.248 -8.919 -9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.815 -9.470 -8.957 1.00 0.00 H new ATOM 402 N VAL A 26 9.691 -10.379 -4.643 1.00 0.00 N ATOM 403 CA VAL A 26 8.891 -10.813 -3.501 1.00 0.00 C ATOM 404 C VAL A 26 8.536 -9.663 -2.561 1.00 0.00 C ATOM 405 O VAL A 26 7.565 -9.744 -1.810 1.00 0.00 O ATOM 406 CB VAL A 26 9.579 -11.973 -2.774 1.00 0.00 C ATOM 407 CG1 VAL A 26 10.656 -11.476 -1.811 1.00 0.00 C ATOM 408 CG2 VAL A 26 8.545 -12.769 -1.977 1.00 0.00 C ATOM 0 H VAL A 26 10.696 -10.513 -4.532 1.00 0.00 H new ATOM 0 HA VAL A 26 7.938 -11.178 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 26 10.049 -12.601 -3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.121 -12.328 -1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.413 -10.922 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.203 -10.823 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.039 -13.593 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.069 -12.117 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.790 -13.166 -2.655 1.00 0.00 H new ATOM 418 N LEU A 27 9.322 -8.580 -2.602 1.00 0.00 N ATOM 419 CA LEU A 27 9.037 -7.366 -1.848 1.00 0.00 C ATOM 420 C LEU A 27 8.088 -6.455 -2.633 1.00 0.00 C ATOM 421 O LEU A 27 7.949 -5.278 -2.300 1.00 0.00 O ATOM 422 CB LEU A 27 10.345 -6.627 -1.531 1.00 0.00 C ATOM 423 CG LEU A 27 11.190 -7.375 -0.494 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.522 -6.644 -0.335 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.477 -7.411 0.859 1.00 0.00 C ATOM 0 H LEU A 27 10.173 -8.527 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 27 8.551 -7.642 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.922 -6.502 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.116 -5.628 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 27 11.348 -8.399 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.137 -7.163 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.042 -6.623 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.339 -5.623 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.094 -7.946 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.310 -6.392 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.519 -7.920 0.752 1.00 0.00 H new ATOM 437 N ASP A 28 7.440 -6.992 -3.671 1.00 0.00 N ATOM 438 CA ASP A 28 6.575 -6.228 -4.561 1.00 0.00 C ATOM 439 C ASP A 28 7.290 -5.058 -5.243 1.00 0.00 C ATOM 440 O ASP A 28 6.648 -4.100 -5.675 1.00 0.00 O ATOM 441 CB ASP A 28 5.279 -5.812 -3.854 1.00 0.00 C ATOM 442 CG ASP A 28 4.373 -7.005 -3.549 1.00 0.00 C ATOM 443 OD1 ASP A 28 3.336 -6.775 -2.883 1.00 0.00 O ATOM 444 OD2 ASP A 28 4.714 -8.130 -3.976 1.00 0.00 O ATOM 0 H ASP A 28 7.505 -7.980 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 28 6.294 -6.894 -5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.524 -5.298 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.740 -5.100 -4.479 1.00 0.00 H new ATOM 449 N LYS A 29 8.620 -5.146 -5.339 1.00 0.00 N ATOM 450 CA LYS A 29 9.429 -4.177 -6.068 1.00 0.00 C ATOM 451 C LYS A 29 9.754 -4.729 -7.451 1.00 0.00 C ATOM 452 O LYS A 29 9.262 -5.793 -7.830 1.00 0.00 O ATOM 453 CB LYS A 29 10.699 -3.856 -5.276 1.00 0.00 C ATOM 454 CG LYS A 29 10.337 -3.180 -3.955 1.00 0.00 C ATOM 455 CD LYS A 29 11.607 -2.755 -3.221 1.00 0.00 C ATOM 456 CE LYS A 29 11.252 -1.958 -1.962 1.00 0.00 C ATOM 457 NZ LYS A 29 10.436 -2.755 -1.028 1.00 0.00 N ATOM 0 H LYS A 29 9.163 -5.895 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 29 8.874 -3.247 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.258 -4.772 -5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.347 -3.204 -5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.707 -2.310 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.759 -3.864 -3.333 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.190 -3.635 -2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.230 -2.150 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.167 -1.637 -1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.708 -1.056 -2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.342 -2.245 -0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.493 -2.911 -1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.897 -3.672 -0.860 1.00 0.00 H new ATOM 471 N THR A 30 10.580 -4.010 -8.212 1.00 0.00 N ATOM 472 CA THR A 30 10.876 -4.367 -9.591 1.00 0.00 C ATOM 473 C THR A 30 12.364 -4.265 -9.933 1.00 0.00 C ATOM 474 O THR A 30 12.913 -3.165 -9.966 1.00 0.00 O ATOM 475 CB THR A 30 10.038 -3.501 -10.538 1.00 0.00 C ATOM 476 OG1 THR A 30 8.706 -3.422 -10.076 1.00 0.00 O ATOM 477 CG2 THR A 30 10.065 -4.069 -11.954 1.00 0.00 C ATOM 0 H THR A 30 11.058 -3.169 -7.888 1.00 0.00 H new ATOM 0 HA THR A 30 10.610 -5.416 -9.718 1.00 0.00 H new ATOM 0 HB THR A 30 10.468 -2.500 -10.557 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.180 -2.865 -10.687 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.464 -3.439 -12.610 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.093 -4.094 -12.316 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.658 -5.080 -11.948 1.00 0.00 H new ATOM 485 N PRO A 31 13.026 -5.403 -10.191 1.00 0.00 N ATOM 486 CA PRO A 31 14.370 -5.431 -10.734 1.00 0.00 C ATOM 487 C PRO A 31 14.303 -5.072 -12.217 1.00 0.00 C ATOM 488 O PRO A 31 14.027 -5.932 -13.054 1.00 0.00 O ATOM 489 CB PRO A 31 14.870 -6.857 -10.514 1.00 0.00 C ATOM 490 CG PRO A 31 13.599 -7.707 -10.453 1.00 0.00 C ATOM 491 CD PRO A 31 12.509 -6.746 -9.976 1.00 0.00 C ATOM 0 HA PRO A 31 15.045 -4.718 -10.260 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.523 -7.178 -11.326 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.445 -6.937 -9.592 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.357 -8.127 -11.429 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.716 -8.545 -9.766 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.584 -6.900 -10.532 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.279 -6.910 -8.923 1.00 0.00 H new ATOM 499 N VAL A 32 14.555 -3.801 -12.548 1.00 0.00 N ATOM 500 CA VAL A 32 14.388 -3.318 -13.914 1.00 0.00 C ATOM 501 C VAL A 32 15.549 -3.703 -14.830 1.00 0.00 C ATOM 502 O VAL A 32 15.480 -3.468 -16.035 1.00 0.00 O ATOM 503 CB VAL A 32 14.143 -1.805 -13.920 1.00 0.00 C ATOM 504 CG1 VAL A 32 13.040 -1.440 -12.931 1.00 0.00 C ATOM 505 CG2 VAL A 32 15.408 -1.030 -13.546 1.00 0.00 C ATOM 0 H VAL A 32 14.875 -3.093 -11.887 1.00 0.00 H new ATOM 0 HA VAL A 32 13.509 -3.815 -14.324 1.00 0.00 H new ATOM 0 HB VAL A 32 13.845 -1.532 -14.932 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.878 -0.362 -12.948 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.118 -1.949 -13.210 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.335 -1.747 -11.928 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.197 0.039 -13.560 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.732 -1.323 -12.547 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.197 -1.254 -14.264 1.00 0.00 H new ATOM 515 N GLY A 33 16.613 -4.296 -14.282 1.00 0.00 N ATOM 516 CA GLY A 33 17.718 -4.768 -15.099 1.00 0.00 C ATOM 517 C GLY A 33 18.989 -4.977 -14.286 1.00 0.00 C ATOM 518 O GLY A 33 19.082 -4.565 -13.129 1.00 0.00 O ATOM 0 H GLY A 33 16.726 -4.457 -13.281 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.438 -5.706 -15.579 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.912 -4.049 -15.894 1.00 0.00 H new ATOM 522 N THR A 34 19.973 -5.623 -14.916 1.00 0.00 N ATOM 523 CA THR A 34 21.279 -5.882 -14.323 1.00 0.00 C ATOM 524 C THR A 34 22.392 -5.723 -15.347 1.00 0.00 C ATOM 525 O THR A 34 22.241 -6.133 -16.497 1.00 0.00 O ATOM 526 CB THR A 34 21.318 -7.268 -13.676 1.00 0.00 C ATOM 527 OG1 THR A 34 20.178 -7.466 -12.869 1.00 0.00 O ATOM 528 CG2 THR A 34 22.582 -7.438 -12.831 1.00 0.00 C ATOM 0 H THR A 34 19.880 -5.984 -15.865 1.00 0.00 H new ATOM 0 HA THR A 34 21.444 -5.140 -13.541 1.00 0.00 H new ATOM 0 HB THR A 34 21.326 -8.011 -14.473 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.216 -8.357 -12.463 1.00 0.00 H new ATOM 0 HG21 THR A 34 22.588 -8.431 -12.381 1.00 0.00 H new ATOM 0 HG22 THR A 34 23.461 -7.321 -13.464 1.00 0.00 H new ATOM 0 HG23 THR A 34 22.598 -6.683 -12.045 1.00 0.00 H new ATOM 536 N VAL A 35 23.514 -5.131 -14.929 1.00 0.00 N ATOM 537 CA VAL A 35 24.665 -4.928 -15.800 1.00 0.00 C ATOM 538 C VAL A 35 25.969 -5.241 -15.067 1.00 0.00 C ATOM 539 O VAL A 35 25.991 -5.278 -13.838 1.00 0.00 O ATOM 540 CB VAL A 35 24.661 -3.512 -16.399 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.275 -3.110 -16.901 1.00 0.00 C ATOM 542 CG2 VAL A 35 25.094 -2.493 -15.352 1.00 0.00 C ATOM 0 H VAL A 35 23.646 -4.782 -13.980 1.00 0.00 H new ATOM 0 HA VAL A 35 24.591 -5.627 -16.633 1.00 0.00 H new ATOM 0 HB VAL A 35 25.357 -3.524 -17.238 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.316 -2.103 -17.316 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.951 -3.808 -17.673 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.567 -3.132 -16.072 1.00 0.00 H new ATOM 0 HG21 VAL A 35 25.086 -1.495 -15.790 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.405 -2.524 -14.508 1.00 0.00 H new ATOM 0 HG23 VAL A 35 26.101 -2.730 -15.008 1.00 0.00 H new ATOM 552 N ASP A 36 27.052 -5.467 -15.817 1.00 0.00 N ATOM 553 CA ASP A 36 28.336 -5.850 -15.245 1.00 0.00 C ATOM 554 C ASP A 36 29.466 -4.860 -15.539 1.00 0.00 C ATOM 555 O ASP A 36 30.611 -5.102 -15.167 1.00 0.00 O ATOM 556 CB ASP A 36 28.716 -7.280 -15.660 1.00 0.00 C ATOM 557 CG ASP A 36 28.615 -7.532 -17.164 1.00 0.00 C ATOM 558 OD1 ASP A 36 28.260 -6.589 -17.904 1.00 0.00 O ATOM 559 OD2 ASP A 36 28.902 -8.684 -17.562 1.00 0.00 O ATOM 0 H ASP A 36 27.058 -5.389 -16.834 1.00 0.00 H new ATOM 0 HA ASP A 36 28.204 -5.823 -14.163 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.736 -7.484 -15.334 1.00 0.00 H new ATOM 0 HB3 ASP A 36 28.068 -7.984 -15.138 1.00 0.00 H new ATOM 564 N THR A 37 29.146 -3.746 -16.204 1.00 0.00 N ATOM 565 CA THR A 37 30.108 -2.685 -16.492 1.00 0.00 C ATOM 566 C THR A 37 29.534 -1.300 -16.243 1.00 0.00 C ATOM 567 O THR A 37 28.318 -1.112 -16.279 1.00 0.00 O ATOM 568 CB THR A 37 30.681 -2.804 -17.907 1.00 0.00 C ATOM 569 OG1 THR A 37 29.792 -2.210 -18.826 1.00 0.00 O ATOM 570 CG2 THR A 37 30.929 -4.256 -18.313 1.00 0.00 C ATOM 0 H THR A 37 28.208 -3.557 -16.558 1.00 0.00 H new ATOM 0 HA THR A 37 30.932 -2.819 -15.791 1.00 0.00 H new ATOM 0 HB THR A 37 31.642 -2.289 -17.914 1.00 0.00 H new ATOM 0 HG1 THR A 37 30.159 -2.285 -19.731 1.00 0.00 H new ATOM 0 HG21 THR A 37 31.335 -4.287 -19.324 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.639 -4.711 -17.623 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.990 -4.808 -18.282 1.00 0.00 H new ATOM 578 N VAL A 38 30.407 -0.320 -15.986 1.00 0.00 N ATOM 579 CA VAL A 38 29.955 1.031 -15.709 1.00 0.00 C ATOM 580 C VAL A 38 29.389 1.726 -16.941 1.00 0.00 C ATOM 581 O VAL A 38 28.582 2.638 -16.809 1.00 0.00 O ATOM 582 CB VAL A 38 31.040 1.869 -15.022 1.00 0.00 C ATOM 583 CG1 VAL A 38 31.859 1.023 -14.046 1.00 0.00 C ATOM 584 CG2 VAL A 38 31.982 2.524 -16.029 1.00 0.00 C ATOM 0 H VAL A 38 31.419 -0.443 -15.966 1.00 0.00 H new ATOM 0 HA VAL A 38 29.128 0.939 -15.005 1.00 0.00 H new ATOM 0 HB VAL A 38 30.519 2.653 -14.473 1.00 0.00 H new ATOM 0 HG11 VAL A 38 32.620 1.645 -13.575 1.00 0.00 H new ATOM 0 HG12 VAL A 38 31.201 0.612 -13.280 1.00 0.00 H new ATOM 0 HG13 VAL A 38 32.340 0.208 -14.586 1.00 0.00 H new ATOM 0 HG21 VAL A 38 32.734 3.107 -15.498 1.00 0.00 H new ATOM 0 HG22 VAL A 38 32.473 1.753 -16.622 1.00 0.00 H new ATOM 0 HG23 VAL A 38 31.412 3.180 -16.687 1.00 0.00 H new ATOM 594 N ALA A 39 29.804 1.299 -18.137 1.00 0.00 N ATOM 595 CA ALA A 39 29.281 1.860 -19.370 1.00 0.00 C ATOM 596 C ALA A 39 27.816 1.469 -19.543 1.00 0.00 C ATOM 597 O ALA A 39 27.018 2.248 -20.063 1.00 0.00 O ATOM 598 CB ALA A 39 30.120 1.355 -20.545 1.00 0.00 C ATOM 0 H ALA A 39 30.501 0.566 -18.270 1.00 0.00 H new ATOM 0 HA ALA A 39 29.338 2.948 -19.334 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.733 1.772 -21.474 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.156 1.665 -20.412 1.00 0.00 H new ATOM 0 HB3 ALA A 39 30.069 0.267 -20.587 1.00 0.00 H new ATOM 604 N GLY A 40 27.457 0.260 -19.097 1.00 0.00 N ATOM 605 CA GLY A 40 26.082 -0.207 -19.166 1.00 0.00 C ATOM 606 C GLY A 40 25.273 0.346 -17.994 1.00 0.00 C ATOM 607 O GLY A 40 24.068 0.544 -18.116 1.00 0.00 O ATOM 0 H GLY A 40 28.107 -0.409 -18.685 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.631 0.107 -20.108 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.060 -1.297 -19.150 1.00 0.00 H new ATOM 611 N ALA A 41 25.934 0.598 -16.858 1.00 0.00 N ATOM 612 CA ALA A 41 25.267 1.118 -15.677 1.00 0.00 C ATOM 613 C ALA A 41 24.978 2.609 -15.831 1.00 0.00 C ATOM 614 O ALA A 41 23.940 3.085 -15.374 1.00 0.00 O ATOM 615 CB ALA A 41 26.148 0.853 -14.458 1.00 0.00 C ATOM 0 H ALA A 41 26.936 0.446 -16.740 1.00 0.00 H new ATOM 0 HA ALA A 41 24.309 0.614 -15.546 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.658 1.239 -13.564 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.307 -0.220 -14.350 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.109 1.351 -14.589 1.00 0.00 H new ATOM 621 N LEU A 42 25.888 3.350 -16.474 1.00 0.00 N ATOM 622 CA LEU A 42 25.682 4.766 -16.746 1.00 0.00 C ATOM 623 C LEU A 42 24.590 4.937 -17.797 1.00 0.00 C ATOM 624 O LEU A 42 23.836 5.905 -17.754 1.00 0.00 O ATOM 625 CB LEU A 42 26.996 5.385 -17.240 1.00 0.00 C ATOM 626 CG LEU A 42 27.983 5.602 -16.087 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.355 5.952 -16.653 1.00 0.00 C ATOM 628 CD2 LEU A 42 27.520 6.753 -15.194 1.00 0.00 C ATOM 0 H LEU A 42 26.777 2.984 -16.815 1.00 0.00 H new ATOM 0 HA LEU A 42 25.370 5.272 -15.833 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.447 4.734 -17.989 1.00 0.00 H new ATOM 0 HB3 LEU A 42 26.790 6.338 -17.728 1.00 0.00 H new ATOM 0 HG LEU A 42 28.034 4.685 -15.499 1.00 0.00 H new ATOM 0 HD11 LEU A 42 30.058 6.107 -15.834 1.00 0.00 H new ATOM 0 HD12 LEU A 42 29.707 5.136 -17.284 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.282 6.864 -17.246 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.233 6.892 -14.381 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.458 7.668 -15.783 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.539 6.520 -14.780 1.00 0.00 H new ATOM 640 N ALA A 43 24.499 3.994 -18.743 1.00 0.00 N ATOM 641 CA ALA A 43 23.481 4.041 -19.779 1.00 0.00 C ATOM 642 C ALA A 43 22.107 3.690 -19.205 1.00 0.00 C ATOM 643 O ALA A 43 21.092 4.191 -19.690 1.00 0.00 O ATOM 644 CB ALA A 43 23.866 3.066 -20.892 1.00 0.00 C ATOM 0 H ALA A 43 25.124 3.190 -18.805 1.00 0.00 H new ATOM 0 HA ALA A 43 23.420 5.051 -20.184 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.109 3.092 -21.676 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.831 3.353 -21.309 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.932 2.057 -20.485 1.00 0.00 H new ATOM 650 N ARG A 44 22.070 2.834 -18.178 1.00 0.00 N ATOM 651 CA ARG A 44 20.817 2.434 -17.552 1.00 0.00 C ATOM 652 C ARG A 44 20.268 3.526 -16.641 1.00 0.00 C ATOM 653 O ARG A 44 19.069 3.799 -16.673 1.00 0.00 O ATOM 654 CB ARG A 44 21.032 1.137 -16.760 1.00 0.00 C ATOM 655 CG ARG A 44 20.916 -0.097 -17.659 1.00 0.00 C ATOM 656 CD ARG A 44 19.489 -0.229 -18.195 1.00 0.00 C ATOM 657 NE ARG A 44 19.269 -1.559 -18.777 1.00 0.00 N ATOM 658 CZ ARG A 44 18.246 -2.356 -18.455 1.00 0.00 C ATOM 659 NH1 ARG A 44 17.332 -1.965 -17.570 1.00 0.00 N ATOM 660 NH2 ARG A 44 18.136 -3.553 -19.024 1.00 0.00 N ATOM 0 H ARG A 44 22.899 2.407 -17.766 1.00 0.00 H new ATOM 0 HA ARG A 44 20.081 2.266 -18.338 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.016 1.155 -16.291 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.297 1.074 -15.957 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.618 -0.018 -18.489 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.185 -0.992 -17.097 1.00 0.00 H new ATOM 0 HD2 ARG A 44 18.776 -0.058 -17.388 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.307 0.537 -18.949 1.00 0.00 H new ATOM 0 HE ARG A 44 19.938 -1.895 -19.470 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.408 -1.048 -17.130 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.556 -2.582 -17.332 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.831 -3.860 -19.704 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.356 -4.164 -18.780 1.00 0.00 H new ATOM 674 N VAL A 45 21.127 4.149 -15.835 1.00 0.00 N ATOM 675 CA VAL A 45 20.682 5.201 -14.928 1.00 0.00 C ATOM 676 C VAL A 45 20.387 6.512 -15.658 1.00 0.00 C ATOM 677 O VAL A 45 19.625 7.340 -15.154 1.00 0.00 O ATOM 678 CB VAL A 45 21.677 5.366 -13.775 1.00 0.00 C ATOM 679 CG1 VAL A 45 22.934 6.119 -14.206 1.00 0.00 C ATOM 680 CG2 VAL A 45 21.017 6.136 -12.631 1.00 0.00 C ATOM 0 H VAL A 45 22.125 3.945 -15.793 1.00 0.00 H new ATOM 0 HA VAL A 45 19.729 4.896 -14.495 1.00 0.00 H new ATOM 0 HB VAL A 45 21.967 4.366 -13.453 1.00 0.00 H new ATOM 0 HG11 VAL A 45 23.611 6.213 -13.357 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.430 5.571 -15.007 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.659 7.112 -14.562 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.728 6.252 -11.813 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.708 7.120 -12.985 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.144 5.587 -12.279 1.00 0.00 H new ATOM 690 N GLU A 46 20.977 6.710 -16.838 1.00 0.00 N ATOM 691 CA GLU A 46 20.727 7.905 -17.629 1.00 0.00 C ATOM 692 C GLU A 46 19.322 7.882 -18.226 1.00 0.00 C ATOM 693 O GLU A 46 18.742 8.936 -18.486 1.00 0.00 O ATOM 694 CB GLU A 46 21.796 8.000 -18.724 1.00 0.00 C ATOM 695 CG GLU A 46 21.506 9.101 -19.748 1.00 0.00 C ATOM 696 CD GLU A 46 21.507 10.506 -19.144 1.00 0.00 C ATOM 697 OE1 GLU A 46 21.761 10.625 -17.923 1.00 0.00 O ATOM 698 OE2 GLU A 46 21.251 11.458 -19.916 1.00 0.00 O ATOM 0 H GLU A 46 21.632 6.054 -17.263 1.00 0.00 H new ATOM 0 HA GLU A 46 20.785 8.786 -16.990 1.00 0.00 H new ATOM 0 HB2 GLU A 46 22.766 8.187 -18.262 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.867 7.042 -19.239 1.00 0.00 H new ATOM 0 HG2 GLU A 46 22.251 9.054 -20.542 1.00 0.00 H new ATOM 0 HG3 GLU A 46 20.537 8.912 -20.209 1.00 0.00 H new ATOM 705 N ASP A 47 18.769 6.686 -18.449 1.00 0.00 N ATOM 706 CA ASP A 47 17.410 6.549 -18.957 1.00 0.00 C ATOM 707 C ASP A 47 16.360 6.960 -17.927 1.00 0.00 C ATOM 708 O ASP A 47 15.206 7.197 -18.278 1.00 0.00 O ATOM 709 CB ASP A 47 17.166 5.118 -19.448 1.00 0.00 C ATOM 710 CG ASP A 47 17.932 4.807 -20.734 1.00 0.00 C ATOM 711 OD1 ASP A 47 17.902 3.624 -21.139 1.00 0.00 O ATOM 712 OD2 ASP A 47 18.536 5.746 -21.302 1.00 0.00 O ATOM 0 H ASP A 47 19.247 5.800 -18.284 1.00 0.00 H new ATOM 0 HA ASP A 47 17.307 7.233 -19.799 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.464 4.414 -18.671 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.099 4.972 -19.619 1.00 0.00 H new ATOM 717 N GLY A 48 16.767 7.047 -16.655 1.00 0.00 N ATOM 718 CA GLY A 48 15.900 7.514 -15.584 1.00 0.00 C ATOM 719 C GLY A 48 14.790 6.515 -15.277 1.00 0.00 C ATOM 720 O GLY A 48 14.818 5.377 -15.747 1.00 0.00 O ATOM 0 H GLY A 48 17.706 6.795 -16.347 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.493 7.686 -14.686 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.460 8.471 -15.864 1.00 0.00 H new ATOM 724 N GLY A 49 13.807 6.947 -14.482 1.00 0.00 N ATOM 725 CA GLY A 49 12.689 6.106 -14.079 1.00 0.00 C ATOM 726 C GLY A 49 13.095 5.126 -12.976 1.00 0.00 C ATOM 727 O GLY A 49 12.255 4.386 -12.471 1.00 0.00 O ATOM 0 H GLY A 49 13.769 7.893 -14.102 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.869 6.732 -13.727 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.319 5.552 -14.942 1.00 0.00 H new ATOM 731 N ILE A 50 14.380 5.122 -12.605 1.00 0.00 N ATOM 732 CA ILE A 50 14.896 4.256 -11.557 1.00 0.00 C ATOM 733 C ILE A 50 14.880 4.998 -10.221 1.00 0.00 C ATOM 734 O ILE A 50 15.153 6.197 -10.175 1.00 0.00 O ATOM 735 CB ILE A 50 16.305 3.780 -11.936 1.00 0.00 C ATOM 736 CG1 ILE A 50 16.236 2.957 -13.229 1.00 0.00 C ATOM 737 CG2 ILE A 50 16.901 2.932 -10.812 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.624 2.765 -13.836 1.00 0.00 C ATOM 0 H ILE A 50 15.087 5.723 -13.028 1.00 0.00 H new ATOM 0 HA ILE A 50 14.264 3.374 -11.450 1.00 0.00 H new ATOM 0 HB ILE A 50 16.943 4.650 -12.091 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.790 1.985 -13.021 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.588 3.458 -13.948 1.00 0.00 H new ATOM 0 HG21 ILE A 50 17.900 2.602 -11.096 1.00 0.00 H new ATOM 0 HG22 ILE A 50 16.961 3.526 -9.900 1.00 0.00 H new ATOM 0 HG23 ILE A 50 16.268 2.062 -10.637 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.543 2.178 -14.751 1.00 0.00 H new ATOM 0 HD12 ILE A 50 18.058 3.738 -14.066 1.00 0.00 H new ATOM 0 HD13 ILE A 50 18.263 2.242 -13.125 1.00 0.00 H new ATOM 750 N ASP A 51 14.562 4.287 -9.134 1.00 0.00 N ATOM 751 CA ASP A 51 14.423 4.890 -7.813 1.00 0.00 C ATOM 752 C ASP A 51 15.698 4.708 -6.989 1.00 0.00 C ATOM 753 O ASP A 51 16.002 5.545 -6.146 1.00 0.00 O ATOM 754 CB ASP A 51 13.239 4.248 -7.091 1.00 0.00 C ATOM 755 CG ASP A 51 11.941 4.360 -7.884 1.00 0.00 C ATOM 756 OD1 ASP A 51 11.844 5.278 -8.728 1.00 0.00 O ATOM 757 OD2 ASP A 51 11.053 3.516 -7.628 1.00 0.00 O ATOM 0 H ASP A 51 14.395 3.281 -9.149 1.00 0.00 H new ATOM 0 HA ASP A 51 14.250 5.960 -7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.458 3.197 -6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.109 4.723 -6.119 1.00 0.00 H new ATOM 762 N ALA A 52 16.441 3.620 -7.230 1.00 0.00 N ATOM 763 CA ALA A 52 17.676 3.328 -6.512 1.00 0.00 C ATOM 764 C ALA A 52 18.494 2.300 -7.298 1.00 0.00 C ATOM 765 O ALA A 52 18.020 1.753 -8.288 1.00 0.00 O ATOM 766 CB ALA A 52 17.338 2.783 -5.123 1.00 0.00 C ATOM 0 H ALA A 52 16.197 2.920 -7.931 1.00 0.00 H new ATOM 0 HA ALA A 52 18.264 4.240 -6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.260 2.564 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.763 3.526 -4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.751 1.870 -5.223 1.00 0.00 H new ATOM 772 N ALA A 53 19.725 2.033 -6.856 1.00 0.00 N ATOM 773 CA ALA A 53 20.577 1.060 -7.528 1.00 0.00 C ATOM 774 C ALA A 53 21.508 0.348 -6.546 1.00 0.00 C ATOM 775 O ALA A 53 21.655 0.770 -5.399 1.00 0.00 O ATOM 776 CB ALA A 53 21.383 1.762 -8.619 1.00 0.00 C ATOM 0 H ALA A 53 20.149 2.476 -6.041 1.00 0.00 H new ATOM 0 HA ALA A 53 19.941 0.297 -7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 53 22.021 1.037 -9.123 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.702 2.211 -9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 53 22.001 2.540 -8.171 1.00 0.00 H new ATOM 782 N ILE A 54 22.140 -0.732 -7.011 1.00 0.00 N ATOM 783 CA ILE A 54 23.095 -1.511 -6.225 1.00 0.00 C ATOM 784 C ILE A 54 24.399 -1.628 -7.012 1.00 0.00 C ATOM 785 O ILE A 54 24.365 -1.750 -8.236 1.00 0.00 O ATOM 786 CB ILE A 54 22.511 -2.896 -5.903 1.00 0.00 C ATOM 787 CG1 ILE A 54 21.092 -2.757 -5.334 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.432 -3.625 -4.916 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.504 -4.113 -4.940 1.00 0.00 C ATOM 0 H ILE A 54 22.000 -1.093 -7.955 1.00 0.00 H new ATOM 0 HA ILE A 54 23.297 -1.011 -5.277 1.00 0.00 H new ATOM 0 HB ILE A 54 22.447 -3.484 -6.819 1.00 0.00 H new ATOM 0 HG12 ILE A 54 21.112 -2.102 -4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.448 -2.283 -6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 54 23.017 -4.607 -4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.421 -3.743 -5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.514 -3.044 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.499 -3.972 -4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.460 -4.759 -5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 54 21.134 -4.576 -4.180 1.00 0.00 H new ATOM 801 N LEU A 55 25.549 -1.593 -6.325 1.00 0.00 N ATOM 802 CA LEU A 55 26.846 -1.569 -6.988 1.00 0.00 C ATOM 803 C LEU A 55 27.879 -2.409 -6.243 1.00 0.00 C ATOM 804 O LEU A 55 28.139 -2.174 -5.068 1.00 0.00 O ATOM 805 CB LEU A 55 27.320 -0.115 -7.092 1.00 0.00 C ATOM 806 CG LEU A 55 28.660 -0.003 -7.824 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.528 -0.453 -9.279 1.00 0.00 C ATOM 808 CD2 LEU A 55 29.123 1.453 -7.799 1.00 0.00 C ATOM 0 H LEU A 55 25.600 -1.581 -5.306 1.00 0.00 H new ATOM 0 HA LEU A 55 26.737 -2.002 -7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.569 0.475 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 55 27.416 0.308 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 55 29.383 -0.646 -7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.494 -0.364 -9.777 1.00 0.00 H new ATOM 0 HD12 LEU A 55 28.198 -1.492 -9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.798 0.175 -9.789 1.00 0.00 H new ATOM 0 HD21 LEU A 55 30.077 1.540 -8.319 1.00 0.00 H new ATOM 0 HD22 LEU A 55 28.381 2.079 -8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 55 29.241 1.779 -6.766 1.00 0.00 H new ATOM 820 N ASP A 56 28.473 -3.388 -6.928 1.00 0.00 N ATOM 821 CA ASP A 56 29.568 -4.166 -6.375 1.00 0.00 C ATOM 822 C ASP A 56 30.841 -3.313 -6.420 1.00 0.00 C ATOM 823 O ASP A 56 31.079 -2.602 -7.399 1.00 0.00 O ATOM 824 CB ASP A 56 29.705 -5.462 -7.182 1.00 0.00 C ATOM 825 CG ASP A 56 30.760 -6.427 -6.636 1.00 0.00 C ATOM 826 OD1 ASP A 56 31.514 -6.034 -5.724 1.00 0.00 O ATOM 827 OD2 ASP A 56 30.792 -7.566 -7.154 1.00 0.00 O ATOM 0 H ASP A 56 28.206 -3.658 -7.875 1.00 0.00 H new ATOM 0 HA ASP A 56 29.384 -4.439 -5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.740 -5.969 -7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 56 29.956 -5.211 -8.213 1.00 0.00 H new ATOM 832 N VAL A 57 31.661 -3.378 -5.370 1.00 0.00 N ATOM 833 CA VAL A 57 32.879 -2.583 -5.280 1.00 0.00 C ATOM 834 C VAL A 57 33.802 -2.898 -6.457 1.00 0.00 C ATOM 835 O VAL A 57 34.555 -2.030 -6.895 1.00 0.00 O ATOM 836 CB VAL A 57 33.581 -2.882 -3.951 1.00 0.00 C ATOM 837 CG1 VAL A 57 34.884 -2.084 -3.837 1.00 0.00 C ATOM 838 CG2 VAL A 57 32.678 -2.499 -2.780 1.00 0.00 C ATOM 0 H VAL A 57 31.498 -3.981 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 57 32.626 -1.524 -5.320 1.00 0.00 H new ATOM 0 HB VAL A 57 33.801 -3.949 -3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.367 -2.310 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.550 -2.355 -4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 57 34.663 -1.018 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.188 -2.716 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.448 -1.435 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.753 -3.073 -2.831 1.00 0.00 H new ATOM 848 N ASN A 58 33.738 -4.133 -6.967 1.00 0.00 N ATOM 849 CA ASN A 58 34.533 -4.557 -8.106 1.00 0.00 C ATOM 850 C ASN A 58 33.625 -5.195 -9.153 1.00 0.00 C ATOM 851 O ASN A 58 32.897 -6.141 -8.857 1.00 0.00 O ATOM 852 CB ASN A 58 35.623 -5.533 -7.648 1.00 0.00 C ATOM 853 CG ASN A 58 36.558 -4.910 -6.617 1.00 0.00 C ATOM 854 OD1 ASN A 58 36.946 -3.755 -6.739 1.00 0.00 O ATOM 855 ND2 ASN A 58 36.924 -5.679 -5.599 1.00 0.00 N ATOM 0 H ASN A 58 33.130 -4.862 -6.595 1.00 0.00 H new ATOM 0 HA ASN A 58 35.022 -3.693 -8.556 1.00 0.00 H new ATOM 0 HB2 ASN A 58 35.157 -6.422 -7.223 1.00 0.00 H new ATOM 0 HB3 ASN A 58 36.203 -5.859 -8.512 1.00 0.00 H new ATOM 0 HD21 ASN A 58 37.551 -5.312 -4.882 1.00 0.00 H new ATOM 0 HD22 ASN A 58 36.579 -6.637 -5.533 1.00 0.00 H new ATOM 862 N LEU A 59 33.670 -4.672 -10.379 1.00 0.00 N ATOM 863 CA LEU A 59 32.862 -5.171 -11.485 1.00 0.00 C ATOM 864 C LEU A 59 33.658 -6.214 -12.269 1.00 0.00 C ATOM 865 O LEU A 59 34.705 -6.676 -11.816 1.00 0.00 O ATOM 866 CB LEU A 59 32.445 -3.990 -12.372 1.00 0.00 C ATOM 867 CG LEU A 59 31.072 -3.450 -11.963 1.00 0.00 C ATOM 868 CD1 LEU A 59 30.986 -3.182 -10.464 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.810 -2.140 -12.698 1.00 0.00 C ATOM 0 H LEU A 59 34.271 -3.887 -10.631 1.00 0.00 H new ATOM 0 HA LEU A 59 31.959 -5.654 -11.112 1.00 0.00 H new ATOM 0 HB2 LEU A 59 33.188 -3.196 -12.298 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.419 -4.306 -13.415 1.00 0.00 H new ATOM 0 HG LEU A 59 30.331 -4.206 -12.222 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.995 -2.800 -10.219 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.163 -4.109 -9.918 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.738 -2.445 -10.182 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.833 -1.751 -12.411 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.581 -1.415 -12.436 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.828 -2.316 -13.773 1.00 0.00 H new ATOM 881 N ARG A 60 33.154 -6.587 -13.447 1.00 0.00 N ATOM 882 CA ARG A 60 33.769 -7.593 -14.293 1.00 0.00 C ATOM 883 C ARG A 60 35.239 -7.260 -14.536 1.00 0.00 C ATOM 884 O ARG A 60 35.594 -6.096 -14.726 1.00 0.00 O ATOM 885 CB ARG A 60 32.982 -7.667 -15.601 1.00 0.00 C ATOM 886 CG ARG A 60 33.374 -8.895 -16.424 1.00 0.00 C ATOM 887 CD ARG A 60 32.395 -9.039 -17.589 1.00 0.00 C ATOM 888 NE ARG A 60 32.680 -10.243 -18.377 1.00 0.00 N ATOM 889 CZ ARG A 60 31.741 -11.040 -18.898 1.00 0.00 C ATOM 890 NH1 ARG A 60 30.447 -10.767 -18.736 1.00 0.00 N ATOM 891 NH2 ARG A 60 32.097 -12.119 -19.587 1.00 0.00 N ATOM 0 H ARG A 60 32.299 -6.191 -13.838 1.00 0.00 H new ATOM 0 HA ARG A 60 33.742 -8.567 -13.805 1.00 0.00 H new ATOM 0 HB2 ARG A 60 31.915 -7.700 -15.383 1.00 0.00 H new ATOM 0 HB3 ARG A 60 33.160 -6.764 -16.185 1.00 0.00 H new ATOM 0 HG2 ARG A 60 34.393 -8.790 -16.798 1.00 0.00 H new ATOM 0 HG3 ARG A 60 33.354 -9.789 -15.801 1.00 0.00 H new ATOM 0 HD2 ARG A 60 31.375 -9.085 -17.207 1.00 0.00 H new ATOM 0 HD3 ARG A 60 32.456 -8.159 -18.230 1.00 0.00 H new ATOM 0 HE ARG A 60 33.657 -10.488 -18.538 1.00 0.00 H new ATOM 0 HH11 ARG A 60 30.162 -9.941 -18.209 1.00 0.00 H new ATOM 0 HH12 ARG A 60 29.741 -11.384 -19.139 1.00 0.00 H new ATOM 0 HH21 ARG A 60 33.085 -12.338 -19.718 1.00 0.00 H new ATOM 0 HH22 ARG A 60 31.383 -12.728 -19.985 1.00 0.00 H new ATOM 905 N GLY A 61 36.092 -8.284 -14.528 1.00 0.00 N ATOM 906 CA GLY A 61 37.532 -8.099 -14.640 1.00 0.00 C ATOM 907 C GLY A 61 38.161 -7.770 -13.280 1.00 0.00 C ATOM 908 O GLY A 61 39.378 -7.632 -13.183 1.00 0.00 O ATOM 0 H GLY A 61 35.803 -9.259 -14.444 1.00 0.00 H new ATOM 0 HA2 GLY A 61 37.986 -9.004 -15.043 1.00 0.00 H new ATOM 0 HA3 GLY A 61 37.743 -7.295 -15.345 1.00 0.00 H new ATOM 912 N GLY A 62 37.335 -7.647 -12.236 1.00 0.00 N ATOM 913 CA GLY A 62 37.794 -7.406 -10.870 1.00 0.00 C ATOM 914 C GLY A 62 38.208 -5.956 -10.642 1.00 0.00 C ATOM 915 O GLY A 62 38.719 -5.624 -9.574 1.00 0.00 O ATOM 0 H GLY A 62 36.321 -7.713 -12.319 1.00 0.00 H new ATOM 0 HA2 GLY A 62 37.000 -7.668 -10.171 1.00 0.00 H new ATOM 0 HA3 GLY A 62 38.638 -8.060 -10.653 1.00 0.00 H new ATOM 919 N GLU A 63 37.993 -5.082 -11.632 1.00 0.00 N ATOM 920 CA GLU A 63 38.367 -3.680 -11.524 1.00 0.00 C ATOM 921 C GLU A 63 37.406 -2.934 -10.595 1.00 0.00 C ATOM 922 O GLU A 63 36.200 -3.183 -10.611 1.00 0.00 O ATOM 923 CB GLU A 63 38.391 -3.049 -12.920 1.00 0.00 C ATOM 924 CG GLU A 63 38.806 -1.577 -12.837 1.00 0.00 C ATOM 925 CD GLU A 63 38.958 -0.947 -14.222 1.00 0.00 C ATOM 926 OE1 GLU A 63 38.812 -1.686 -15.224 1.00 0.00 O ATOM 927 OE2 GLU A 63 39.215 0.278 -14.266 1.00 0.00 O ATOM 0 H GLU A 63 37.558 -5.330 -12.521 1.00 0.00 H new ATOM 0 HA GLU A 63 39.364 -3.606 -11.090 1.00 0.00 H new ATOM 0 HB2 GLU A 63 39.086 -3.593 -13.559 1.00 0.00 H new ATOM 0 HB3 GLU A 63 37.406 -3.130 -13.379 1.00 0.00 H new ATOM 0 HG2 GLU A 63 38.062 -1.022 -12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 63 39.749 -1.496 -12.296 1.00 0.00 H new ATOM 934 N LYS A 64 37.949 -2.017 -9.787 1.00 0.00 N ATOM 935 CA LYS A 64 37.172 -1.219 -8.850 1.00 0.00 C ATOM 936 C LYS A 64 36.323 -0.195 -9.600 1.00 0.00 C ATOM 937 O LYS A 64 36.771 0.359 -10.603 1.00 0.00 O ATOM 938 CB LYS A 64 38.138 -0.534 -7.886 1.00 0.00 C ATOM 939 CG LYS A 64 37.392 0.351 -6.890 1.00 0.00 C ATOM 940 CD LYS A 64 38.407 1.018 -5.958 1.00 0.00 C ATOM 941 CE LYS A 64 37.708 1.949 -4.964 1.00 0.00 C ATOM 942 NZ LYS A 64 36.796 1.206 -4.069 1.00 0.00 N ATOM 0 H LYS A 64 38.948 -1.811 -9.770 1.00 0.00 H new ATOM 0 HA LYS A 64 36.490 -1.857 -8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 64 38.713 -1.287 -7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.851 0.069 -8.449 1.00 0.00 H new ATOM 0 HG2 LYS A 64 36.813 1.108 -7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 64 36.685 -0.245 -6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 64 38.965 0.255 -5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 64 39.129 1.584 -6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 64 38.456 2.473 -4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 64 37.146 2.707 -5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 36.485 1.828 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 35.968 0.883 -4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 37.293 0.383 -3.672 1.00 0.00 H new ATOM 956 N SER A 65 35.103 0.060 -9.121 1.00 0.00 N ATOM 957 CA SER A 65 34.193 0.989 -9.776 1.00 0.00 C ATOM 958 C SER A 65 33.301 1.714 -8.774 1.00 0.00 C ATOM 959 O SER A 65 32.720 1.090 -7.886 1.00 0.00 O ATOM 960 CB SER A 65 33.330 0.229 -10.780 1.00 0.00 C ATOM 961 OG SER A 65 34.132 -0.312 -11.810 1.00 0.00 O ATOM 0 H SER A 65 34.725 -0.369 -8.276 1.00 0.00 H new ATOM 0 HA SER A 65 34.792 1.742 -10.288 1.00 0.00 H new ATOM 0 HB2 SER A 65 32.790 -0.571 -10.273 1.00 0.00 H new ATOM 0 HB3 SER A 65 32.582 0.898 -11.206 1.00 0.00 H new ATOM 0 HG SER A 65 33.573 -0.511 -12.590 1.00 0.00 H new ATOM 967 N THR A 66 33.195 3.040 -8.929 1.00 0.00 N ATOM 968 CA THR A 66 32.259 3.879 -8.186 1.00 0.00 C ATOM 969 C THR A 66 31.575 4.989 -9.006 1.00 0.00 C ATOM 970 O THR A 66 30.937 5.855 -8.408 1.00 0.00 O ATOM 971 CB THR A 66 32.927 4.474 -6.938 1.00 0.00 C ATOM 972 OG1 THR A 66 33.643 5.636 -7.301 1.00 0.00 O ATOM 973 CG2 THR A 66 33.882 3.505 -6.246 1.00 0.00 C ATOM 0 H THR A 66 33.770 3.565 -9.588 1.00 0.00 H new ATOM 0 HA THR A 66 31.456 3.201 -7.896 1.00 0.00 H new ATOM 0 HB THR A 66 32.128 4.702 -6.232 1.00 0.00 H new ATOM 0 HG1 THR A 66 34.069 6.019 -6.506 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.320 3.988 -5.372 1.00 0.00 H new ATOM 0 HG22 THR A 66 33.335 2.616 -5.933 1.00 0.00 H new ATOM 0 HG23 THR A 66 34.674 3.219 -6.938 1.00 0.00 H new ATOM 981 N PRO A 67 31.672 5.009 -10.351 1.00 0.00 N ATOM 982 CA PRO A 67 31.227 6.150 -11.139 1.00 0.00 C ATOM 983 C PRO A 67 29.712 6.332 -11.069 1.00 0.00 C ATOM 984 O PRO A 67 29.224 7.452 -11.212 1.00 0.00 O ATOM 985 CB PRO A 67 31.676 5.859 -12.573 1.00 0.00 C ATOM 986 CG PRO A 67 31.771 4.338 -12.619 1.00 0.00 C ATOM 987 CD PRO A 67 32.202 3.965 -11.209 1.00 0.00 C ATOM 0 HA PRO A 67 31.654 7.078 -10.759 1.00 0.00 H new ATOM 0 HB2 PRO A 67 30.960 6.238 -13.302 1.00 0.00 H new ATOM 0 HB3 PRO A 67 32.635 6.327 -12.795 1.00 0.00 H new ATOM 0 HG2 PRO A 67 30.815 3.884 -12.879 1.00 0.00 H new ATOM 0 HG3 PRO A 67 32.495 4.004 -13.362 1.00 0.00 H new ATOM 0 HD2 PRO A 67 31.811 2.988 -10.925 1.00 0.00 H new ATOM 0 HD3 PRO A 67 33.288 3.908 -11.133 1.00 0.00 H new ATOM 995 N VAL A 68 28.963 5.247 -10.853 1.00 0.00 N ATOM 996 CA VAL A 68 27.510 5.330 -10.794 1.00 0.00 C ATOM 997 C VAL A 68 27.013 5.584 -9.377 1.00 0.00 C ATOM 998 O VAL A 68 25.941 6.152 -9.196 1.00 0.00 O ATOM 999 CB VAL A 68 26.880 4.062 -11.373 1.00 0.00 C ATOM 1000 CG1 VAL A 68 27.378 3.849 -12.801 1.00 0.00 C ATOM 1001 CG2 VAL A 68 27.196 2.832 -10.529 1.00 0.00 C ATOM 0 H VAL A 68 29.340 4.309 -10.718 1.00 0.00 H new ATOM 0 HA VAL A 68 27.203 6.182 -11.400 1.00 0.00 H new ATOM 0 HB VAL A 68 25.798 4.196 -11.370 1.00 0.00 H new ATOM 0 HG11 VAL A 68 26.928 2.945 -13.212 1.00 0.00 H new ATOM 0 HG12 VAL A 68 27.099 4.705 -13.415 1.00 0.00 H new ATOM 0 HG13 VAL A 68 28.463 3.744 -12.796 1.00 0.00 H new ATOM 0 HG21 VAL A 68 26.729 1.954 -10.976 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.276 2.687 -10.487 1.00 0.00 H new ATOM 0 HG23 VAL A 68 26.809 2.974 -9.520 1.00 0.00 H new ATOM 1011 N ALA A 69 27.772 5.178 -8.358 1.00 0.00 N ATOM 1012 CA ALA A 69 27.372 5.438 -6.986 1.00 0.00 C ATOM 1013 C ALA A 69 27.528 6.925 -6.680 1.00 0.00 C ATOM 1014 O ALA A 69 26.789 7.478 -5.869 1.00 0.00 O ATOM 1015 CB ALA A 69 28.222 4.590 -6.055 1.00 0.00 C ATOM 0 H ALA A 69 28.654 4.675 -8.460 1.00 0.00 H new ATOM 0 HA ALA A 69 26.325 5.173 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 69 27.929 4.778 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 69 28.075 3.535 -6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.273 4.847 -6.187 1.00 0.00 H new ATOM 1021 N GLU A 70 28.494 7.574 -7.337 1.00 0.00 N ATOM 1022 CA GLU A 70 28.668 9.015 -7.235 1.00 0.00 C ATOM 1023 C GLU A 70 27.604 9.735 -8.061 1.00 0.00 C ATOM 1024 O GLU A 70 27.225 10.861 -7.738 1.00 0.00 O ATOM 1025 CB GLU A 70 30.070 9.384 -7.725 1.00 0.00 C ATOM 1026 CG GLU A 70 31.139 8.867 -6.756 1.00 0.00 C ATOM 1027 CD GLU A 70 31.123 9.612 -5.422 1.00 0.00 C ATOM 1028 OE1 GLU A 70 30.431 10.653 -5.336 1.00 0.00 O ATOM 1029 OE2 GLU A 70 31.806 9.131 -4.492 1.00 0.00 O ATOM 0 H GLU A 70 29.169 7.115 -7.948 1.00 0.00 H new ATOM 0 HA GLU A 70 28.556 9.325 -6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 70 30.236 8.962 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 70 30.153 10.467 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 70 30.980 7.804 -6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 70 32.122 8.970 -7.215 1.00 0.00 H new ATOM 1036 N ALA A 71 27.119 9.090 -9.128 1.00 0.00 N ATOM 1037 CA ALA A 71 26.052 9.645 -9.947 1.00 0.00 C ATOM 1038 C ALA A 71 24.708 9.516 -9.235 1.00 0.00 C ATOM 1039 O ALA A 71 23.834 10.355 -9.422 1.00 0.00 O ATOM 1040 CB ALA A 71 26.019 8.919 -11.290 1.00 0.00 C ATOM 0 H ALA A 71 27.455 8.179 -9.440 1.00 0.00 H new ATOM 0 HA ALA A 71 26.242 10.705 -10.116 1.00 0.00 H new ATOM 0 HB1 ALA A 71 25.221 9.332 -11.907 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.975 9.050 -11.798 1.00 0.00 H new ATOM 0 HB3 ALA A 71 25.838 7.857 -11.125 1.00 0.00 H new ATOM 1046 N LEU A 72 24.539 8.473 -8.416 1.00 0.00 N ATOM 1047 CA LEU A 72 23.316 8.293 -7.647 1.00 0.00 C ATOM 1048 C LEU A 72 23.241 9.368 -6.567 1.00 0.00 C ATOM 1049 O LEU A 72 22.153 9.826 -6.226 1.00 0.00 O ATOM 1050 CB LEU A 72 23.314 6.892 -7.018 1.00 0.00 C ATOM 1051 CG LEU A 72 22.869 5.764 -7.971 1.00 0.00 C ATOM 1052 CD1 LEU A 72 21.492 5.259 -7.543 1.00 0.00 C ATOM 1053 CD2 LEU A 72 22.774 6.175 -9.437 1.00 0.00 C ATOM 0 H LEU A 72 25.237 7.744 -8.272 1.00 0.00 H new ATOM 0 HA LEU A 72 22.446 8.386 -8.297 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.317 6.669 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 72 22.655 6.898 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 72 23.641 4.998 -7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 72 21.172 4.461 -8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 72 21.545 4.877 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.774 6.078 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 72 22.455 5.321 -10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 72 22.050 6.983 -9.542 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.750 6.516 -9.783 1.00 0.00 H new ATOM 1065 N ALA A 73 24.395 9.777 -6.031 1.00 0.00 N ATOM 1066 CA ALA A 73 24.451 10.838 -5.040 1.00 0.00 C ATOM 1067 C ALA A 73 24.167 12.196 -5.690 1.00 0.00 C ATOM 1068 O ALA A 73 23.665 13.104 -5.026 1.00 0.00 O ATOM 1069 CB ALA A 73 25.831 10.834 -4.383 1.00 0.00 C ATOM 0 H ALA A 73 25.304 9.382 -6.273 1.00 0.00 H new ATOM 0 HA ALA A 73 23.689 10.666 -4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.881 11.628 -3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 73 26.001 9.872 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.596 11.000 -5.142 1.00 0.00 H new ATOM 1075 N ALA A 74 24.483 12.339 -6.981 1.00 0.00 N ATOM 1076 CA ALA A 74 24.225 13.574 -7.707 1.00 0.00 C ATOM 1077 C ALA A 74 22.763 13.646 -8.153 1.00 0.00 C ATOM 1078 O ALA A 74 22.195 14.732 -8.255 1.00 0.00 O ATOM 1079 CB ALA A 74 25.151 13.630 -8.923 1.00 0.00 C ATOM 0 H ALA A 74 24.920 11.607 -7.542 1.00 0.00 H new ATOM 0 HA ALA A 74 24.417 14.425 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.969 14.551 -9.477 1.00 0.00 H new ATOM 0 HB2 ALA A 74 26.189 13.606 -8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.956 12.774 -9.568 1.00 0.00 H new ATOM 1085 N ARG A 75 22.159 12.479 -8.413 1.00 0.00 N ATOM 1086 CA ARG A 75 20.771 12.366 -8.842 1.00 0.00 C ATOM 1087 C ARG A 75 19.825 12.277 -7.645 1.00 0.00 C ATOM 1088 O ARG A 75 18.618 12.116 -7.820 1.00 0.00 O ATOM 1089 CB ARG A 75 20.631 11.148 -9.753 1.00 0.00 C ATOM 1090 CG ARG A 75 21.393 11.373 -11.064 1.00 0.00 C ATOM 1091 CD ARG A 75 21.434 10.071 -11.861 1.00 0.00 C ATOM 1092 NE ARG A 75 22.276 10.206 -13.057 1.00 0.00 N ATOM 1093 CZ ARG A 75 21.806 10.354 -14.303 1.00 0.00 C ATOM 1094 NH1 ARG A 75 20.494 10.421 -14.533 1.00 0.00 N ATOM 1095 NH2 ARG A 75 22.652 10.440 -15.323 1.00 0.00 N ATOM 0 H ARG A 75 22.632 11.579 -8.328 1.00 0.00 H new ATOM 0 HA ARG A 75 20.492 13.262 -9.396 1.00 0.00 H new ATOM 0 HB2 ARG A 75 21.016 10.262 -9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.578 10.962 -9.964 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.908 12.154 -11.649 1.00 0.00 H new ATOM 0 HG3 ARG A 75 22.406 11.715 -10.854 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.818 9.268 -11.232 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.423 9.790 -12.155 1.00 0.00 H new ATOM 0 HE ARG A 75 23.288 10.186 -12.930 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.836 10.360 -13.756 1.00 0.00 H new ATOM 0 HH12 ARG A 75 20.148 10.534 -15.486 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.657 10.393 -15.157 1.00 0.00 H new ATOM 0 HH22 ARG A 75 22.296 10.553 -16.272 1.00 0.00 H new ATOM 1109 N ASP A 76 20.372 12.378 -6.431 1.00 0.00 N ATOM 1110 CA ASP A 76 19.605 12.329 -5.194 1.00 0.00 C ATOM 1111 C ASP A 76 18.748 11.058 -5.115 1.00 0.00 C ATOM 1112 O ASP A 76 17.564 11.110 -4.777 1.00 0.00 O ATOM 1113 CB ASP A 76 18.791 13.620 -5.032 1.00 0.00 C ATOM 1114 CG ASP A 76 17.995 13.652 -3.726 1.00 0.00 C ATOM 1115 OD1 ASP A 76 18.393 12.936 -2.780 1.00 0.00 O ATOM 1116 OD2 ASP A 76 16.991 14.399 -3.688 1.00 0.00 O ATOM 0 H ASP A 76 21.374 12.498 -6.283 1.00 0.00 H new ATOM 0 HA ASP A 76 20.291 12.272 -4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.464 14.476 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.106 13.721 -5.874 1.00 0.00 H new ATOM 1121 N ILE A 77 19.351 9.910 -5.435 1.00 0.00 N ATOM 1122 CA ILE A 77 18.691 8.616 -5.313 1.00 0.00 C ATOM 1123 C ILE A 77 19.547 7.682 -4.450 1.00 0.00 C ATOM 1124 O ILE A 77 20.773 7.733 -4.531 1.00 0.00 O ATOM 1125 CB ILE A 77 18.419 8.002 -6.699 1.00 0.00 C ATOM 1126 CG1 ILE A 77 19.437 8.474 -7.742 1.00 0.00 C ATOM 1127 CG2 ILE A 77 17.015 8.404 -7.151 1.00 0.00 C ATOM 1128 CD1 ILE A 77 19.211 7.797 -9.094 1.00 0.00 C ATOM 0 H ILE A 77 20.308 9.856 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 77 17.726 8.755 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 77 18.505 6.919 -6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 77 19.364 9.555 -7.859 1.00 0.00 H new ATOM 0 HG13 ILE A 77 20.446 8.258 -7.390 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.812 7.974 -8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.282 8.034 -6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.949 9.490 -7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 77 19.951 8.156 -9.809 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.309 6.717 -8.981 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.211 8.034 -9.457 1.00 0.00 H new ATOM 1140 N PRO A 78 18.923 6.831 -3.623 1.00 0.00 N ATOM 1141 CA PRO A 78 19.626 5.938 -2.718 1.00 0.00 C ATOM 1142 C PRO A 78 20.439 4.893 -3.481 1.00 0.00 C ATOM 1143 O PRO A 78 20.106 4.540 -4.610 1.00 0.00 O ATOM 1144 CB PRO A 78 18.555 5.271 -1.854 1.00 0.00 C ATOM 1145 CG PRO A 78 17.299 6.118 -2.067 1.00 0.00 C ATOM 1146 CD PRO A 78 17.491 6.694 -3.464 1.00 0.00 C ATOM 0 HA PRO A 78 20.340 6.491 -2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.391 4.237 -2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.848 5.254 -0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.393 5.516 -2.002 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.213 6.904 -1.317 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.072 6.034 -4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 78 16.989 7.656 -3.566 1.00 0.00 H new ATOM 1154 N PHE A 79 21.507 4.398 -2.850 1.00 0.00 N ATOM 1155 CA PHE A 79 22.354 3.370 -3.437 1.00 0.00 C ATOM 1156 C PHE A 79 22.875 2.370 -2.412 1.00 0.00 C ATOM 1157 O PHE A 79 23.197 2.747 -1.287 1.00 0.00 O ATOM 1158 CB PHE A 79 23.497 4.016 -4.229 1.00 0.00 C ATOM 1159 CG PHE A 79 24.241 5.092 -3.464 1.00 0.00 C ATOM 1160 CD1 PHE A 79 23.758 6.409 -3.452 1.00 0.00 C ATOM 1161 CD2 PHE A 79 25.416 4.775 -2.770 1.00 0.00 C ATOM 1162 CE1 PHE A 79 24.449 7.405 -2.752 1.00 0.00 C ATOM 1163 CE2 PHE A 79 26.108 5.774 -2.071 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.625 7.088 -2.059 1.00 0.00 C ATOM 0 H PHE A 79 21.804 4.700 -1.922 1.00 0.00 H new ATOM 0 HA PHE A 79 21.734 2.792 -4.123 1.00 0.00 H new ATOM 0 HB2 PHE A 79 24.203 3.241 -4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 79 23.093 4.448 -5.145 1.00 0.00 H new ATOM 0 HD1 PHE A 79 22.851 6.655 -3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 79 25.789 3.761 -2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 79 24.076 8.418 -2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 79 27.016 5.529 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 79 26.157 7.855 -1.517 1.00 0.00 H new ATOM 1174 N VAL A 80 22.964 1.096 -2.803 1.00 0.00 N ATOM 1175 CA VAL A 80 23.535 0.047 -1.966 1.00 0.00 C ATOM 1176 C VAL A 80 24.838 -0.429 -2.587 1.00 0.00 C ATOM 1177 O VAL A 80 25.000 -0.388 -3.804 1.00 0.00 O ATOM 1178 CB VAL A 80 22.560 -1.135 -1.833 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.160 -2.249 -0.980 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.253 -0.726 -1.176 1.00 0.00 C ATOM 0 H VAL A 80 22.640 0.766 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 80 23.722 0.450 -0.970 1.00 0.00 H new ATOM 0 HB VAL A 80 22.373 -1.481 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.449 -3.071 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.080 -2.607 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.381 -1.866 0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.596 -1.592 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.454 -0.338 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.770 0.046 -1.775 1.00 0.00 H new ATOM 1190 N PHE A 81 25.772 -0.889 -1.750 1.00 0.00 N ATOM 1191 CA PHE A 81 26.966 -1.557 -2.232 1.00 0.00 C ATOM 1192 C PHE A 81 26.917 -3.071 -2.075 1.00 0.00 C ATOM 1193 O PHE A 81 26.197 -3.583 -1.218 1.00 0.00 O ATOM 1194 CB PHE A 81 28.230 -0.939 -1.637 1.00 0.00 C ATOM 1195 CG PHE A 81 28.645 0.344 -2.318 1.00 0.00 C ATOM 1196 CD1 PHE A 81 28.169 1.574 -1.849 1.00 0.00 C ATOM 1197 CD2 PHE A 81 29.508 0.304 -3.421 1.00 0.00 C ATOM 1198 CE1 PHE A 81 28.570 2.764 -2.472 1.00 0.00 C ATOM 1199 CE2 PHE A 81 29.921 1.492 -4.034 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.453 2.724 -3.558 1.00 0.00 C ATOM 0 H PHE A 81 25.716 -0.807 -0.735 1.00 0.00 H new ATOM 0 HA PHE A 81 27.002 -1.389 -3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 81 28.066 -0.743 -0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 81 29.045 -1.659 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 81 27.493 1.606 -1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 81 29.855 -0.646 -3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 81 28.198 3.712 -2.114 1.00 0.00 H new ATOM 0 HE2 PHE A 81 30.600 1.459 -4.873 1.00 0.00 H new ATOM 0 HZ PHE A 81 29.773 3.642 -4.028 1.00 0.00 H new ATOM 1210 N ALA A 82 27.678 -3.791 -2.894 1.00 0.00 N ATOM 1211 CA ALA A 82 27.795 -5.232 -2.771 1.00 0.00 C ATOM 1212 C ALA A 82 29.259 -5.595 -2.569 1.00 0.00 C ATOM 1213 O ALA A 82 30.144 -4.992 -3.174 1.00 0.00 O ATOM 1214 CB ALA A 82 27.196 -5.919 -3.999 1.00 0.00 C ATOM 0 H ALA A 82 28.226 -3.391 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 82 27.233 -5.582 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 82 27.290 -7.000 -3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 82 26.142 -5.654 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.728 -5.594 -4.893 1.00 0.00 H new ATOM 1220 N THR A 83 29.516 -6.587 -1.715 1.00 0.00 N ATOM 1221 CA THR A 83 30.873 -6.997 -1.374 1.00 0.00 C ATOM 1222 C THR A 83 30.923 -8.519 -1.259 1.00 0.00 C ATOM 1223 O THR A 83 29.908 -9.199 -1.395 1.00 0.00 O ATOM 1224 CB THR A 83 31.288 -6.350 -0.052 1.00 0.00 C ATOM 1225 OG1 THR A 83 30.344 -6.643 0.952 1.00 0.00 O ATOM 1226 CG2 THR A 83 31.398 -4.832 -0.211 1.00 0.00 C ATOM 0 H THR A 83 28.790 -7.125 -1.243 1.00 0.00 H new ATOM 0 HA THR A 83 31.564 -6.675 -2.153 1.00 0.00 H new ATOM 0 HB THR A 83 32.259 -6.753 0.234 1.00 0.00 H new ATOM 0 HG1 THR A 83 30.621 -6.225 1.794 1.00 0.00 H new ATOM 0 HG21 THR A 83 31.694 -4.387 0.739 1.00 0.00 H new ATOM 0 HG22 THR A 83 32.145 -4.599 -0.970 1.00 0.00 H new ATOM 0 HG23 THR A 83 30.433 -4.427 -0.516 1.00 0.00 H new ATOM 1234 N GLY A 84 32.119 -9.050 -1.010 1.00 0.00 N ATOM 1235 CA GLY A 84 32.340 -10.478 -0.889 1.00 0.00 C ATOM 1236 C GLY A 84 33.818 -10.748 -0.633 1.00 0.00 C ATOM 1237 O GLY A 84 34.545 -9.856 -0.198 1.00 0.00 O ATOM 0 H GLY A 84 32.964 -8.492 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 84 31.740 -10.881 -0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 84 32.020 -10.984 -1.800 1.00 0.00 H new ATOM 1241 N GLY A 85 34.265 -11.978 -0.902 1.00 0.00 N ATOM 1242 CA GLY A 85 35.664 -12.337 -0.737 1.00 0.00 C ATOM 1243 C GLY A 85 36.535 -11.487 -1.659 1.00 0.00 C ATOM 1244 O GLY A 85 36.261 -11.390 -2.853 1.00 0.00 O ATOM 0 H GLY A 85 33.672 -12.738 -1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 85 35.966 -12.189 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 85 35.805 -13.394 -0.962 1.00 0.00 H new ATOM 1248 N SER A 86 37.585 -10.873 -1.097 1.00 0.00 N ATOM 1249 CA SER A 86 38.478 -9.965 -1.809 1.00 0.00 C ATOM 1250 C SER A 86 37.731 -8.788 -2.445 1.00 0.00 C ATOM 1251 O SER A 86 38.316 -8.050 -3.239 1.00 0.00 O ATOM 1252 CB SER A 86 39.295 -10.738 -2.851 1.00 0.00 C ATOM 1253 OG SER A 86 40.096 -11.710 -2.208 1.00 0.00 O ATOM 0 H SER A 86 37.837 -10.999 -0.117 1.00 0.00 H new ATOM 0 HA SER A 86 39.161 -9.533 -1.078 1.00 0.00 H new ATOM 0 HB2 SER A 86 38.627 -11.219 -3.566 1.00 0.00 H new ATOM 0 HB3 SER A 86 39.925 -10.050 -3.416 1.00 0.00 H new ATOM 0 HG SER A 86 40.615 -12.202 -2.878 1.00 0.00 H new ATOM 1259 N ASP A 87 36.451 -8.601 -2.105 1.00 0.00 N ATOM 1260 CA ASP A 87 35.611 -7.553 -2.674 1.00 0.00 C ATOM 1261 C ASP A 87 35.027 -6.615 -1.617 1.00 0.00 C ATOM 1262 O ASP A 87 34.260 -5.712 -1.943 1.00 0.00 O ATOM 1263 CB ASP A 87 34.508 -8.170 -3.543 1.00 0.00 C ATOM 1264 CG ASP A 87 35.043 -8.759 -4.850 1.00 0.00 C ATOM 1265 OD1 ASP A 87 36.158 -8.367 -5.259 1.00 0.00 O ATOM 1266 OD2 ASP A 87 34.323 -9.602 -5.430 1.00 0.00 O ATOM 0 H ASP A 87 35.968 -9.182 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 87 36.252 -6.934 -3.302 1.00 0.00 H new ATOM 0 HB2 ASP A 87 34.001 -8.952 -2.978 1.00 0.00 H new ATOM 0 HB3 ASP A 87 33.763 -7.408 -3.771 1.00 0.00 H new ATOM 1271 N ASP A 88 35.393 -6.826 -0.350 1.00 0.00 N ATOM 1272 CA ASP A 88 34.921 -6.010 0.759 1.00 0.00 C ATOM 1273 C ASP A 88 35.757 -4.740 0.940 1.00 0.00 C ATOM 1274 O ASP A 88 35.704 -4.101 1.990 1.00 0.00 O ATOM 1275 CB ASP A 88 34.848 -6.842 2.046 1.00 0.00 C ATOM 1276 CG ASP A 88 36.166 -7.544 2.390 1.00 0.00 C ATOM 1277 OD1 ASP A 88 37.167 -7.307 1.677 1.00 0.00 O ATOM 1278 OD2 ASP A 88 36.154 -8.319 3.373 1.00 0.00 O ATOM 0 H ASP A 88 36.028 -7.573 -0.069 1.00 0.00 H new ATOM 0 HA ASP A 88 33.912 -5.675 0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 88 34.563 -6.193 2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 88 34.062 -7.590 1.943 1.00 0.00 H new ATOM 1283 N SER A 89 36.530 -4.375 -0.085 1.00 0.00 N ATOM 1284 CA SER A 89 37.394 -3.202 -0.064 1.00 0.00 C ATOM 1285 C SER A 89 36.607 -1.909 -0.299 1.00 0.00 C ATOM 1286 O SER A 89 37.112 -0.978 -0.927 1.00 0.00 O ATOM 1287 CB SER A 89 38.504 -3.372 -1.099 1.00 0.00 C ATOM 1288 OG SER A 89 37.949 -3.472 -2.394 1.00 0.00 O ATOM 0 H SER A 89 36.571 -4.895 -0.962 1.00 0.00 H new ATOM 0 HA SER A 89 37.839 -3.117 0.927 1.00 0.00 H new ATOM 0 HB2 SER A 89 39.188 -2.525 -1.053 1.00 0.00 H new ATOM 0 HB3 SER A 89 39.087 -4.265 -0.875 1.00 0.00 H new ATOM 0 HG SER A 89 38.668 -3.579 -3.051 1.00 0.00 H new ATOM 1294 N VAL A 90 35.369 -1.846 0.203 1.00 0.00 N ATOM 1295 CA VAL A 90 34.529 -0.663 0.059 1.00 0.00 C ATOM 1296 C VAL A 90 35.207 0.529 0.737 1.00 0.00 C ATOM 1297 O VAL A 90 35.851 0.383 1.775 1.00 0.00 O ATOM 1298 CB VAL A 90 33.135 -0.934 0.646 1.00 0.00 C ATOM 1299 CG1 VAL A 90 33.211 -1.353 2.116 1.00 0.00 C ATOM 1300 CG2 VAL A 90 32.254 0.311 0.536 1.00 0.00 C ATOM 0 H VAL A 90 34.928 -2.610 0.716 1.00 0.00 H new ATOM 0 HA VAL A 90 34.401 -0.425 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 90 32.701 -1.751 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 90 32.205 -1.536 2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 90 33.803 -2.264 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 90 33.679 -0.558 2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 90 31.271 0.099 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 90 32.715 1.132 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 90 32.147 0.590 -0.512 1.00 0.00 H new ATOM 1310 N ASP A 91 35.061 1.716 0.138 1.00 0.00 N ATOM 1311 CA ASP A 91 35.731 2.918 0.617 1.00 0.00 C ATOM 1312 C ASP A 91 34.904 3.520 1.757 1.00 0.00 C ATOM 1313 O ASP A 91 33.688 3.342 1.815 1.00 0.00 O ATOM 1314 CB ASP A 91 35.856 3.902 -0.552 1.00 0.00 C ATOM 1315 CG ASP A 91 36.816 5.052 -0.239 1.00 0.00 C ATOM 1316 OD1 ASP A 91 37.448 5.012 0.841 1.00 0.00 O ATOM 1317 OD2 ASP A 91 36.910 5.961 -1.093 1.00 0.00 O ATOM 0 H ASP A 91 34.478 1.865 -0.686 1.00 0.00 H new ATOM 0 HA ASP A 91 36.728 2.690 0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 91 36.205 3.370 -1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 91 34.873 4.307 -0.791 1.00 0.00 H new ATOM 1322 N SER A 92 35.566 4.240 2.668 1.00 0.00 N ATOM 1323 CA SER A 92 34.919 4.800 3.848 1.00 0.00 C ATOM 1324 C SER A 92 33.899 5.874 3.475 1.00 0.00 C ATOM 1325 O SER A 92 33.043 6.213 4.292 1.00 0.00 O ATOM 1326 CB SER A 92 35.981 5.385 4.777 1.00 0.00 C ATOM 1327 OG SER A 92 36.876 4.367 5.183 1.00 0.00 O ATOM 0 H SER A 92 36.563 4.448 2.604 1.00 0.00 H new ATOM 0 HA SER A 92 34.381 3.999 4.356 1.00 0.00 H new ATOM 0 HB2 SER A 92 36.526 6.179 4.267 1.00 0.00 H new ATOM 0 HB3 SER A 92 35.507 5.834 5.650 1.00 0.00 H new ATOM 0 HG SER A 92 37.556 4.747 5.777 1.00 0.00 H new ATOM 1333 N ARG A 93 33.971 6.411 2.251 1.00 0.00 N ATOM 1334 CA ARG A 93 33.034 7.432 1.794 1.00 0.00 C ATOM 1335 C ARG A 93 31.674 6.819 1.461 1.00 0.00 C ATOM 1336 O ARG A 93 30.747 7.544 1.096 1.00 0.00 O ATOM 1337 CB ARG A 93 33.616 8.171 0.582 1.00 0.00 C ATOM 1338 CG ARG A 93 33.800 7.218 -0.600 1.00 0.00 C ATOM 1339 CD ARG A 93 34.490 7.930 -1.764 1.00 0.00 C ATOM 1340 NE ARG A 93 33.622 8.948 -2.364 1.00 0.00 N ATOM 1341 CZ ARG A 93 33.739 10.263 -2.166 1.00 0.00 C ATOM 1342 NH1 ARG A 93 34.676 10.752 -1.356 1.00 0.00 N ATOM 1343 NH2 ARG A 93 32.908 11.097 -2.782 1.00 0.00 N ATOM 0 H ARG A 93 34.674 6.150 1.560 1.00 0.00 H new ATOM 0 HA ARG A 93 32.881 8.150 2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 93 32.953 8.988 0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 93 34.575 8.616 0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 93 34.393 6.357 -0.291 1.00 0.00 H new ATOM 0 HG3 ARG A 93 32.830 6.838 -0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 93 35.410 8.397 -1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 93 34.773 7.200 -2.522 1.00 0.00 H new ATOM 0 HE ARG A 93 32.873 8.628 -2.978 1.00 0.00 H new ATOM 0 HH11 ARG A 93 35.317 10.119 -0.877 1.00 0.00 H new ATOM 0 HH12 ARG A 93 34.753 11.759 -1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 93 32.185 10.731 -3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 93 32.993 12.103 -2.635 1.00 0.00 H new ATOM 1357 N PHE A 94 31.546 5.494 1.588 1.00 0.00 N ATOM 1358 CA PHE A 94 30.289 4.804 1.340 1.00 0.00 C ATOM 1359 C PHE A 94 29.928 3.935 2.548 1.00 0.00 C ATOM 1360 O PHE A 94 28.931 3.218 2.509 1.00 0.00 O ATOM 1361 CB PHE A 94 30.415 3.926 0.095 1.00 0.00 C ATOM 1362 CG PHE A 94 30.936 4.650 -1.128 1.00 0.00 C ATOM 1363 CD1 PHE A 94 30.193 5.694 -1.698 1.00 0.00 C ATOM 1364 CD2 PHE A 94 32.163 4.277 -1.694 1.00 0.00 C ATOM 1365 CE1 PHE A 94 30.668 6.346 -2.845 1.00 0.00 C ATOM 1366 CE2 PHE A 94 32.638 4.930 -2.839 1.00 0.00 C ATOM 1367 CZ PHE A 94 31.888 5.965 -3.415 1.00 0.00 C ATOM 0 H PHE A 94 32.310 4.878 1.865 1.00 0.00 H new ATOM 0 HA PHE A 94 29.503 5.542 1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 94 31.079 3.091 0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 94 29.438 3.502 -0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 94 29.256 5.996 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 94 32.744 3.484 -1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 94 30.091 7.144 -3.289 1.00 0.00 H new ATOM 0 HE2 PHE A 94 33.580 4.636 -3.277 1.00 0.00 H new ATOM 0 HZ PHE A 94 32.252 6.468 -4.299 1.00 0.00 H new ATOM 1377 N ARG A 95 30.726 3.996 3.622 1.00 0.00 N ATOM 1378 CA ARG A 95 30.432 3.259 4.845 1.00 0.00 C ATOM 1379 C ARG A 95 29.242 3.872 5.579 1.00 0.00 C ATOM 1380 O ARG A 95 28.719 3.276 6.520 1.00 0.00 O ATOM 1381 CB ARG A 95 31.681 3.214 5.731 1.00 0.00 C ATOM 1382 CG ARG A 95 32.721 2.235 5.174 1.00 0.00 C ATOM 1383 CD ARG A 95 32.219 0.790 5.222 1.00 0.00 C ATOM 1384 NE ARG A 95 31.862 0.392 6.592 1.00 0.00 N ATOM 1385 CZ ARG A 95 32.706 -0.182 7.450 1.00 0.00 C ATOM 1386 NH1 ARG A 95 33.969 -0.423 7.102 1.00 0.00 N ATOM 1387 NH2 ARG A 95 32.289 -0.521 8.666 1.00 0.00 N ATOM 0 H ARG A 95 31.581 4.551 3.663 1.00 0.00 H new ATOM 0 HA ARG A 95 30.155 2.236 4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 95 32.117 4.211 5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 95 31.402 2.916 6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 95 32.959 2.504 4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 95 33.644 2.319 5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 95 31.350 0.683 4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 95 32.990 0.122 4.836 1.00 0.00 H new ATOM 0 HE ARG A 95 30.907 0.566 6.906 1.00 0.00 H new ATOM 0 HH11 ARG A 95 34.299 -0.168 6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 95 34.606 -0.863 7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 95 31.324 -0.342 8.942 1.00 0.00 H new ATOM 0 HH22 ARG A 95 32.934 -0.960 9.322 1.00 0.00 H new ATOM 1401 N ASP A 96 28.813 5.065 5.149 1.00 0.00 N ATOM 1402 CA ASP A 96 27.593 5.690 5.645 1.00 0.00 C ATOM 1403 C ASP A 96 26.353 5.125 4.947 1.00 0.00 C ATOM 1404 O ASP A 96 25.228 5.550 5.221 1.00 0.00 O ATOM 1405 CB ASP A 96 27.678 7.209 5.481 1.00 0.00 C ATOM 1406 CG ASP A 96 28.768 7.828 6.357 1.00 0.00 C ATOM 1407 OD1 ASP A 96 29.360 7.091 7.178 1.00 0.00 O ATOM 1408 OD2 ASP A 96 28.999 9.049 6.194 1.00 0.00 O ATOM 0 H ASP A 96 29.305 5.619 4.448 1.00 0.00 H new ATOM 0 HA ASP A 96 27.496 5.461 6.706 1.00 0.00 H new ATOM 0 HB2 ASP A 96 27.875 7.449 4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 96 26.716 7.654 5.734 1.00 0.00 H new ATOM 1413 N ARG A 97 26.560 4.162 4.041 1.00 0.00 N ATOM 1414 CA ARG A 97 25.500 3.522 3.277 1.00 0.00 C ATOM 1415 C ARG A 97 25.530 2.012 3.512 1.00 0.00 C ATOM 1416 O ARG A 97 26.574 1.468 3.874 1.00 0.00 O ATOM 1417 CB ARG A 97 25.665 3.879 1.793 1.00 0.00 C ATOM 1418 CG ARG A 97 25.062 5.254 1.493 1.00 0.00 C ATOM 1419 CD ARG A 97 23.539 5.204 1.569 1.00 0.00 C ATOM 1420 NE ARG A 97 22.949 6.528 1.324 1.00 0.00 N ATOM 1421 CZ ARG A 97 22.122 7.153 2.171 1.00 0.00 C ATOM 1422 NH1 ARG A 97 21.784 6.601 3.331 1.00 0.00 N ATOM 1423 NH2 ARG A 97 21.626 8.345 1.850 1.00 0.00 N ATOM 0 H ARG A 97 27.489 3.804 3.819 1.00 0.00 H new ATOM 0 HA ARG A 97 24.525 3.882 3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 97 26.723 3.876 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 97 25.180 3.122 1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 97 25.443 5.987 2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 97 25.371 5.583 0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 97 23.159 4.493 0.836 1.00 0.00 H new ATOM 0 HD3 ARG A 97 23.233 4.843 2.551 1.00 0.00 H new ATOM 0 HE ARG A 97 23.185 7.001 0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 97 22.156 5.687 3.588 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.153 7.091 3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 97 21.876 8.779 0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 97 20.995 8.825 2.492 1.00 0.00 H new ATOM 1437 N PRO A 98 24.397 1.328 3.309 1.00 0.00 N ATOM 1438 CA PRO A 98 24.274 -0.095 3.564 1.00 0.00 C ATOM 1439 C PRO A 98 25.062 -0.888 2.530 1.00 0.00 C ATOM 1440 O PRO A 98 25.398 -0.375 1.462 1.00 0.00 O ATOM 1441 CB PRO A 98 22.783 -0.404 3.468 1.00 0.00 C ATOM 1442 CG PRO A 98 22.260 0.673 2.521 1.00 0.00 C ATOM 1443 CD PRO A 98 23.147 1.878 2.815 1.00 0.00 C ATOM 0 HA PRO A 98 24.673 -0.369 4.541 1.00 0.00 H new ATOM 0 HB2 PRO A 98 22.604 -1.405 3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.298 -0.352 4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.339 0.362 1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.209 0.894 2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 98 23.308 2.475 1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 98 22.687 2.533 3.555 1.00 0.00 H new ATOM 1451 N VAL A 99 25.358 -2.152 2.848 1.00 0.00 N ATOM 1452 CA VAL A 99 26.112 -3.007 1.949 1.00 0.00 C ATOM 1453 C VAL A 99 25.666 -4.452 2.114 1.00 0.00 C ATOM 1454 O VAL A 99 25.650 -4.992 3.221 1.00 0.00 O ATOM 1455 CB VAL A 99 27.614 -2.848 2.223 1.00 0.00 C ATOM 1456 CG1 VAL A 99 27.958 -3.058 3.702 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.427 -3.846 1.400 1.00 0.00 C ATOM 0 H VAL A 99 25.083 -2.598 3.723 1.00 0.00 H new ATOM 0 HA VAL A 99 25.923 -2.714 0.916 1.00 0.00 H new ATOM 0 HB VAL A 99 27.868 -1.826 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.031 -2.936 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.424 -2.325 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 99 27.663 -4.063 4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.488 -3.713 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.129 -4.861 1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.245 -3.676 0.339 1.00 0.00 H new ATOM 1467 N LEU A 100 25.309 -5.073 0.992 1.00 0.00 N ATOM 1468 CA LEU A 100 25.061 -6.505 0.927 1.00 0.00 C ATOM 1469 C LEU A 100 26.385 -7.226 0.682 1.00 0.00 C ATOM 1470 O LEU A 100 27.302 -6.651 0.100 1.00 0.00 O ATOM 1471 CB LEU A 100 24.050 -6.802 -0.185 1.00 0.00 C ATOM 1472 CG LEU A 100 22.687 -6.154 0.100 1.00 0.00 C ATOM 1473 CD1 LEU A 100 21.754 -6.423 -1.079 1.00 0.00 C ATOM 1474 CD2 LEU A 100 22.055 -6.746 1.364 1.00 0.00 C ATOM 0 H LEU A 100 25.184 -4.592 0.101 1.00 0.00 H new ATOM 0 HA LEU A 100 24.639 -6.861 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.436 -6.435 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 100 23.926 -7.880 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 100 22.835 -5.084 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 100 20.783 -5.967 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 100 22.182 -5.996 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 100 21.630 -7.498 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 100 21.091 -6.271 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 100 21.912 -7.818 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 100 22.712 -6.570 2.216 1.00 0.00 H new ATOM 1486 N GLN A 101 26.496 -8.480 1.122 1.00 0.00 N ATOM 1487 CA GLN A 101 27.761 -9.204 1.072 1.00 0.00 C ATOM 1488 C GLN A 101 27.513 -10.656 0.651 1.00 0.00 C ATOM 1489 O GLN A 101 26.981 -10.905 -0.431 1.00 0.00 O ATOM 1490 CB GLN A 101 28.455 -9.069 2.433 1.00 0.00 C ATOM 1491 CG GLN A 101 29.931 -9.475 2.357 1.00 0.00 C ATOM 1492 CD GLN A 101 30.690 -9.039 3.602 1.00 0.00 C ATOM 1493 OE1 GLN A 101 30.098 -8.760 4.641 1.00 0.00 O ATOM 1494 NE2 GLN A 101 32.014 -8.977 3.504 1.00 0.00 N ATOM 0 H GLN A 101 25.722 -9.014 1.517 1.00 0.00 H new ATOM 0 HA GLN A 101 28.430 -8.783 0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 101 28.378 -8.039 2.781 1.00 0.00 H new ATOM 0 HB3 GLN A 101 27.943 -9.692 3.166 1.00 0.00 H new ATOM 0 HG2 GLN A 101 30.007 -10.556 2.242 1.00 0.00 H new ATOM 0 HG3 GLN A 101 30.388 -9.028 1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 101 32.472 -9.216 2.625 1.00 0.00 H new ATOM 0 HE22 GLN A 101 32.572 -8.690 4.308 1.00 0.00 H new ATOM 1503 N LYS A 102 27.899 -11.614 1.501 1.00 0.00 N ATOM 1504 CA LYS A 102 27.642 -13.034 1.295 1.00 0.00 C ATOM 1505 C LYS A 102 26.142 -13.291 1.098 1.00 0.00 C ATOM 1506 O LYS A 102 25.329 -12.412 1.386 1.00 0.00 O ATOM 1507 CB LYS A 102 28.236 -13.831 2.468 1.00 0.00 C ATOM 1508 CG LYS A 102 27.934 -13.236 3.854 1.00 0.00 C ATOM 1509 CD LYS A 102 26.444 -13.278 4.204 1.00 0.00 C ATOM 1510 CE LYS A 102 26.221 -12.853 5.656 1.00 0.00 C ATOM 1511 NZ LYS A 102 26.900 -13.762 6.600 1.00 0.00 N ATOM 0 H LYS A 102 28.406 -11.416 2.363 1.00 0.00 H new ATOM 0 HA LYS A 102 28.130 -13.373 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 102 27.851 -14.850 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 102 29.317 -13.893 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 102 28.496 -13.784 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 102 28.281 -12.203 3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 102 25.889 -12.618 3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 102 26.057 -14.285 4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 102 26.590 -11.837 5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 102 25.152 -12.837 5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 26.461 -13.679 7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 26.812 -14.742 6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 27.906 -13.507 6.665 1.00 0.00 H new ATOM 1525 N PRO A 103 25.754 -14.479 0.608 1.00 0.00 N ATOM 1526 CA PRO A 103 24.361 -14.822 0.383 1.00 0.00 C ATOM 1527 C PRO A 103 23.508 -14.441 1.592 1.00 0.00 C ATOM 1528 O PRO A 103 23.853 -14.763 2.729 1.00 0.00 O ATOM 1529 CB PRO A 103 24.354 -16.324 0.103 1.00 0.00 C ATOM 1530 CG PRO A 103 25.735 -16.579 -0.494 1.00 0.00 C ATOM 1531 CD PRO A 103 26.631 -15.569 0.220 1.00 0.00 C ATOM 0 HA PRO A 103 23.926 -14.276 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.197 -16.902 1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.559 -16.600 -0.590 1.00 0.00 H new ATOM 0 HG2 PRO A 103 26.065 -17.603 -0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.739 -16.425 -1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 103 27.110 -16.016 1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.427 -15.218 -0.436 1.00 0.00 H new ATOM 1539 N PHE A 104 22.395 -13.756 1.333 1.00 0.00 N ATOM 1540 CA PHE A 104 21.573 -13.134 2.358 1.00 0.00 C ATOM 1541 C PHE A 104 20.144 -13.660 2.446 1.00 0.00 C ATOM 1542 O PHE A 104 19.583 -14.127 1.456 1.00 0.00 O ATOM 1543 CB PHE A 104 21.641 -11.609 2.234 1.00 0.00 C ATOM 1544 CG PHE A 104 21.790 -11.139 0.804 1.00 0.00 C ATOM 1545 CD1 PHE A 104 23.024 -10.649 0.357 1.00 0.00 C ATOM 1546 CD2 PHE A 104 20.706 -11.217 -0.083 1.00 0.00 C ATOM 1547 CE1 PHE A 104 23.181 -10.252 -0.976 1.00 0.00 C ATOM 1548 CE2 PHE A 104 20.859 -10.810 -1.414 1.00 0.00 C ATOM 1549 CZ PHE A 104 22.097 -10.331 -1.862 1.00 0.00 C ATOM 0 H PHE A 104 22.037 -13.618 0.388 1.00 0.00 H new ATOM 0 HA PHE A 104 22.003 -13.427 3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 104 20.737 -11.174 2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.481 -11.239 2.822 1.00 0.00 H new ATOM 0 HD1 PHE A 104 23.856 -10.577 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 104 19.753 -11.591 0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 104 24.136 -9.885 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 104 20.023 -10.865 -2.095 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.216 -10.022 -2.890 1.00 0.00 H new ATOM 1559 N THR A 105 19.564 -13.581 3.645 1.00 0.00 N ATOM 1560 CA THR A 105 18.188 -13.986 3.887 1.00 0.00 C ATOM 1561 C THR A 105 17.173 -12.946 3.428 1.00 0.00 C ATOM 1562 O THR A 105 17.543 -11.832 3.055 1.00 0.00 O ATOM 1563 CB THR A 105 17.974 -14.374 5.355 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.648 -13.225 6.105 1.00 0.00 O ATOM 1565 CG2 THR A 105 19.221 -15.023 5.957 1.00 0.00 C ATOM 0 H THR A 105 20.042 -13.232 4.476 1.00 0.00 H new ATOM 0 HA THR A 105 18.013 -14.871 3.275 1.00 0.00 H new ATOM 0 HB THR A 105 17.160 -15.098 5.391 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.510 -13.475 7.043 1.00 0.00 H new ATOM 0 HG21 THR A 105 19.029 -15.283 6.998 1.00 0.00 H new ATOM 0 HG22 THR A 105 19.468 -15.925 5.397 1.00 0.00 H new ATOM 0 HG23 THR A 105 20.056 -14.324 5.906 1.00 0.00 H new ATOM 1573 N MET A 106 15.887 -13.310 3.456 1.00 0.00 N ATOM 1574 CA MET A 106 14.813 -12.394 3.105 1.00 0.00 C ATOM 1575 C MET A 106 14.847 -11.191 4.065 1.00 0.00 C ATOM 1576 O MET A 106 14.520 -10.071 3.682 1.00 0.00 O ATOM 1577 CB MET A 106 13.490 -13.159 3.214 1.00 0.00 C ATOM 1578 CG MET A 106 12.399 -12.629 2.277 1.00 0.00 C ATOM 1579 SD MET A 106 11.927 -10.898 2.504 1.00 0.00 S ATOM 1580 CE MET A 106 12.894 -10.168 1.160 1.00 0.00 C ATOM 0 H MET A 106 15.569 -14.242 3.721 1.00 0.00 H new ATOM 0 HA MET A 106 14.925 -12.017 2.089 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.668 -14.211 2.993 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.132 -13.106 4.242 1.00 0.00 H new ATOM 0 HG2 MET A 106 12.736 -12.761 1.249 1.00 0.00 H new ATOM 0 HG3 MET A 106 11.509 -13.246 2.402 1.00 0.00 H new ATOM 0 HE1 MET A 106 13.100 -9.122 1.387 1.00 0.00 H new ATOM 0 HE2 MET A 106 13.835 -10.708 1.054 1.00 0.00 H new ATOM 0 HE3 MET A 106 12.331 -10.234 0.229 1.00 0.00 H new ATOM 1590 N ASP A 107 15.259 -11.425 5.314 1.00 0.00 N ATOM 1591 CA ASP A 107 15.385 -10.365 6.305 1.00 0.00 C ATOM 1592 C ASP A 107 16.690 -9.586 6.148 1.00 0.00 C ATOM 1593 O ASP A 107 16.795 -8.455 6.621 1.00 0.00 O ATOM 1594 CB ASP A 107 15.280 -10.953 7.716 1.00 0.00 C ATOM 1595 CG ASP A 107 13.891 -11.529 8.014 1.00 0.00 C ATOM 1596 OD1 ASP A 107 13.754 -12.136 9.099 1.00 0.00 O ATOM 1597 OD2 ASP A 107 12.985 -11.357 7.168 1.00 0.00 O ATOM 0 H ASP A 107 15.512 -12.350 5.660 1.00 0.00 H new ATOM 0 HA ASP A 107 14.568 -9.662 6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.027 -11.737 7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.512 -10.178 8.447 1.00 0.00 H new ATOM 1602 N GLY A 108 17.688 -10.182 5.488 1.00 0.00 N ATOM 1603 CA GLY A 108 18.992 -9.557 5.305 1.00 0.00 C ATOM 1604 C GLY A 108 18.924 -8.399 4.316 1.00 0.00 C ATOM 1605 O GLY A 108 19.562 -7.371 4.527 1.00 0.00 O ATOM 0 H GLY A 108 17.610 -11.108 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 108 19.361 -9.196 6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.706 -10.300 4.948 1.00 0.00 H new ATOM 1609 N VAL A 109 18.147 -8.560 3.237 1.00 0.00 N ATOM 1610 CA VAL A 109 17.969 -7.490 2.267 1.00 0.00 C ATOM 1611 C VAL A 109 17.027 -6.425 2.815 1.00 0.00 C ATOM 1612 O VAL A 109 17.136 -5.256 2.455 1.00 0.00 O ATOM 1613 CB VAL A 109 17.456 -8.055 0.934 1.00 0.00 C ATOM 1614 CG1 VAL A 109 18.346 -9.203 0.468 1.00 0.00 C ATOM 1615 CG2 VAL A 109 16.022 -8.566 1.074 1.00 0.00 C ATOM 0 H VAL A 109 17.638 -9.417 3.021 1.00 0.00 H new ATOM 0 HA VAL A 109 18.935 -7.020 2.083 1.00 0.00 H new ATOM 0 HB VAL A 109 17.479 -7.249 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 109 17.971 -9.594 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 109 19.365 -8.841 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 109 18.339 -9.996 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.681 -8.961 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 109 15.989 -9.355 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.372 -7.746 1.380 1.00 0.00 H new ATOM 1625 N ALA A 110 16.099 -6.825 3.690 1.00 0.00 N ATOM 1626 CA ALA A 110 15.186 -5.884 4.313 1.00 0.00 C ATOM 1627 C ALA A 110 15.936 -5.017 5.325 1.00 0.00 C ATOM 1628 O ALA A 110 15.534 -3.891 5.604 1.00 0.00 O ATOM 1629 CB ALA A 110 14.059 -6.660 4.993 1.00 0.00 C ATOM 0 H ALA A 110 15.967 -7.795 3.977 1.00 0.00 H new ATOM 0 HA ALA A 110 14.759 -5.226 3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.368 -5.961 5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.525 -7.252 4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.479 -7.321 5.751 1.00 0.00 H new ATOM 1635 N LYS A 111 17.037 -5.546 5.876 1.00 0.00 N ATOM 1636 CA LYS A 111 17.864 -4.817 6.821 1.00 0.00 C ATOM 1637 C LYS A 111 18.650 -3.725 6.103 1.00 0.00 C ATOM 1638 O LYS A 111 18.820 -2.631 6.634 1.00 0.00 O ATOM 1639 CB LYS A 111 18.806 -5.811 7.495 1.00 0.00 C ATOM 1640 CG LYS A 111 19.621 -5.127 8.594 1.00 0.00 C ATOM 1641 CD LYS A 111 20.539 -6.148 9.256 1.00 0.00 C ATOM 1642 CE LYS A 111 19.728 -7.152 10.074 1.00 0.00 C ATOM 1643 NZ LYS A 111 20.607 -8.125 10.749 1.00 0.00 N ATOM 0 H LYS A 111 17.370 -6.489 5.674 1.00 0.00 H new ATOM 0 HA LYS A 111 17.241 -4.333 7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.231 -6.633 7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.478 -6.243 6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 111 20.210 -4.313 8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.954 -4.687 9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 111 21.116 -6.673 8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 111 21.253 -5.637 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 111 19.131 -6.622 10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 111 19.032 -7.679 9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 20.029 -8.794 11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 21.159 -8.646 10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 21.254 -7.622 11.389 1.00 0.00 H new ATOM 1657 N ALA A 112 19.127 -4.028 4.893 1.00 0.00 N ATOM 1658 CA ALA A 112 19.917 -3.087 4.118 1.00 0.00 C ATOM 1659 C ALA A 112 19.036 -1.972 3.557 1.00 0.00 C ATOM 1660 O ALA A 112 19.424 -0.806 3.572 1.00 0.00 O ATOM 1661 CB ALA A 112 20.613 -3.840 2.984 1.00 0.00 C ATOM 0 H ALA A 112 18.975 -4.925 4.432 1.00 0.00 H new ATOM 0 HA ALA A 112 20.664 -2.626 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.209 -3.142 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.263 -4.609 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.864 -4.307 2.344 1.00 0.00 H new ATOM 1667 N LEU A 113 17.846 -2.323 3.063 1.00 0.00 N ATOM 1668 CA LEU A 113 16.945 -1.339 2.475 1.00 0.00 C ATOM 1669 C LEU A 113 16.330 -0.445 3.553 1.00 0.00 C ATOM 1670 O LEU A 113 15.872 0.655 3.252 1.00 0.00 O ATOM 1671 CB LEU A 113 15.845 -2.060 1.691 1.00 0.00 C ATOM 1672 CG LEU A 113 16.398 -2.777 0.457 1.00 0.00 C ATOM 1673 CD1 LEU A 113 15.276 -3.577 -0.202 1.00 0.00 C ATOM 1674 CD2 LEU A 113 16.942 -1.773 -0.559 1.00 0.00 C ATOM 0 H LEU A 113 17.489 -3.278 3.060 1.00 0.00 H new ATOM 0 HA LEU A 113 17.515 -0.702 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.352 -2.783 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 113 15.087 -1.339 1.383 1.00 0.00 H new ATOM 0 HG LEU A 113 17.207 -3.435 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.664 -4.090 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.889 -4.311 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 113 14.474 -2.902 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.329 -2.307 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 113 16.142 -1.103 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.744 -1.192 -0.103 1.00 0.00 H new ATOM 1686 N ALA A 114 16.315 -0.904 4.808 1.00 0.00 N ATOM 1687 CA ALA A 114 15.817 -0.097 5.910 1.00 0.00 C ATOM 1688 C ALA A 114 16.862 0.941 6.315 1.00 0.00 C ATOM 1689 O ALA A 114 16.512 2.044 6.733 1.00 0.00 O ATOM 1690 CB ALA A 114 15.484 -1.011 7.090 1.00 0.00 C ATOM 0 H ALA A 114 16.643 -1.831 5.079 1.00 0.00 H new ATOM 0 HA ALA A 114 14.915 0.431 5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.110 -0.412 7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.722 -1.730 6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.382 -1.543 7.403 1.00 0.00 H new ATOM 1696 N ALA A 115 18.145 0.585 6.190 1.00 0.00 N ATOM 1697 CA ALA A 115 19.244 1.492 6.485 1.00 0.00 C ATOM 1698 C ALA A 115 19.563 2.377 5.277 1.00 0.00 C ATOM 1699 O ALA A 115 20.380 3.291 5.376 1.00 0.00 O ATOM 1700 CB ALA A 115 20.469 0.684 6.911 1.00 0.00 C ATOM 0 H ALA A 115 18.444 -0.340 5.881 1.00 0.00 H new ATOM 0 HA ALA A 115 18.952 2.151 7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 115 21.293 1.362 7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 115 20.229 0.102 7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.760 0.011 6.104 1.00 0.00 H new ATOM 1706 N LEU A 116 18.928 2.108 4.135 1.00 0.00 N ATOM 1707 CA LEU A 116 19.173 2.853 2.908 1.00 0.00 C ATOM 1708 C LEU A 116 18.514 4.234 2.934 1.00 0.00 C ATOM 1709 O LEU A 116 18.968 5.151 2.251 1.00 0.00 O ATOM 1710 CB LEU A 116 18.636 2.018 1.748 1.00 0.00 C ATOM 1711 CG LEU A 116 18.927 2.643 0.388 1.00 0.00 C ATOM 1712 CD1 LEU A 116 20.425 2.860 0.199 1.00 0.00 C ATOM 1713 CD2 LEU A 116 18.439 1.685 -0.695 1.00 0.00 C ATOM 0 H LEU A 116 18.232 1.369 4.039 1.00 0.00 H new ATOM 0 HA LEU A 116 20.243 3.029 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 116 19.078 1.022 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.559 1.894 1.863 1.00 0.00 H new ATOM 0 HG LEU A 116 18.420 3.606 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 116 20.607 3.307 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 116 20.797 3.526 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 116 20.942 1.903 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 116 18.638 2.114 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 116 18.962 0.733 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.367 1.522 -0.581 1.00 0.00 H new