USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 THR OG1 : rot 180:sc=-0.00409 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= 0.0111 F(o=-1.2!,f=0.011) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0198 F(o=-0.88,f=-0.02) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.503 USER MOD Single : A 65 HIS : no HE2:sc= -6.51! C(o=-6.5!,f=-7.9!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0094 USER MOD Single : A 71 SER OG : rot -126:sc= -0.246 USER MOD ----------------------------------------------------------------- ATOM 63 N HIS A 3 4.767 -8.359 -4.397 1.00 0.00 N ATOM 64 CA HIS A 3 3.914 -7.831 -5.506 1.00 0.00 C ATOM 65 C HIS A 3 3.769 -6.313 -5.372 1.00 0.00 C ATOM 66 O HIS A 3 2.674 -5.788 -5.339 1.00 0.00 O ATOM 67 CB HIS A 3 2.526 -8.477 -5.460 1.00 0.00 C ATOM 68 CG HIS A 3 2.657 -9.929 -5.090 1.00 0.00 C ATOM 69 ND1 HIS A 3 3.098 -10.887 -5.993 1.00 0.00 N ATOM 70 CD2 HIS A 3 2.409 -10.604 -3.919 1.00 0.00 C ATOM 71 CE1 HIS A 3 3.102 -12.073 -5.358 1.00 0.00 C ATOM 72 NE2 HIS A 3 2.691 -11.953 -4.093 1.00 0.00 N ATOM 0 HA HIS A 3 4.390 -8.071 -6.457 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.898 -7.961 -4.734 1.00 0.00 H new ATOM 0 HB3 HIS A 3 2.037 -8.381 -6.429 1.00 0.00 H new ATOM 0 HD2 HIS A 3 2.050 -10.155 -3.005 1.00 0.00 H new ATOM 0 HE1 HIS A 3 3.400 -13.005 -5.814 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.603 -12.696 -3.400 1.00 0.00 H new ATOM 81 N ALA A 4 4.861 -5.601 -5.297 1.00 0.00 N ATOM 82 CA ALA A 4 4.767 -4.119 -5.168 1.00 0.00 C ATOM 83 C ALA A 4 4.035 -3.549 -6.387 1.00 0.00 C ATOM 84 O ALA A 4 3.235 -2.642 -6.275 1.00 0.00 O ATOM 85 CB ALA A 4 6.170 -3.513 -5.101 1.00 0.00 C ATOM 0 H ALA A 4 5.808 -5.979 -5.319 1.00 0.00 H new ATOM 0 HA ALA A 4 4.221 -3.873 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.094 -2.430 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.700 -3.916 -4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.717 -3.761 -6.011 1.00 0.00 H new ATOM 91 N SER A 5 4.310 -4.075 -7.549 1.00 0.00 N ATOM 92 CA SER A 5 3.640 -3.567 -8.779 1.00 0.00 C ATOM 93 C SER A 5 2.128 -3.778 -8.677 1.00 0.00 C ATOM 94 O SER A 5 1.347 -2.961 -9.126 1.00 0.00 O ATOM 95 CB SER A 5 4.175 -4.322 -9.998 1.00 0.00 C ATOM 96 OG SER A 5 5.592 -4.210 -10.033 1.00 0.00 O ATOM 0 H SER A 5 4.972 -4.837 -7.700 1.00 0.00 H new ATOM 0 HA SER A 5 3.847 -2.502 -8.884 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.882 -5.371 -9.948 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.743 -3.914 -10.912 1.00 0.00 H new ATOM 0 HG SER A 5 5.939 -4.694 -10.811 1.00 0.00 H new ATOM 102 N VAL A 6 1.708 -4.866 -8.097 1.00 0.00 N ATOM 103 CA VAL A 6 0.245 -5.125 -7.975 1.00 0.00 C ATOM 104 C VAL A 6 -0.400 -4.034 -7.122 1.00 0.00 C ATOM 105 O VAL A 6 -1.439 -3.497 -7.459 1.00 0.00 O ATOM 106 CB VAL A 6 0.024 -6.486 -7.320 1.00 0.00 C ATOM 107 CG1 VAL A 6 -1.460 -6.664 -6.996 1.00 0.00 C ATOM 108 CG2 VAL A 6 0.470 -7.592 -8.280 1.00 0.00 C ATOM 0 H VAL A 6 2.312 -5.587 -7.702 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.209 -5.121 -8.966 1.00 0.00 H new ATOM 0 HB VAL A 6 0.606 -6.543 -6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.616 -7.636 -6.528 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.780 -5.877 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.043 -6.606 -7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.313 -8.564 -7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.112 -7.532 -9.199 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.528 -7.468 -8.512 1.00 0.00 H new ATOM 118 N ILE A 7 0.213 -3.694 -6.024 1.00 0.00 N ATOM 119 CA ILE A 7 -0.358 -2.631 -5.151 1.00 0.00 C ATOM 120 C ILE A 7 -0.456 -1.334 -5.954 1.00 0.00 C ATOM 121 O ILE A 7 -1.470 -0.663 -5.955 1.00 0.00 O ATOM 122 CB ILE A 7 0.563 -2.424 -3.949 1.00 0.00 C ATOM 123 CG1 ILE A 7 0.691 -3.742 -3.180 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.027 -1.351 -3.032 1.00 0.00 C ATOM 125 CD1 ILE A 7 1.831 -3.637 -2.165 1.00 0.00 C ATOM 0 H ILE A 7 1.085 -4.106 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.349 -2.921 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 7 1.547 -2.103 -4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.245 -3.968 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.882 -4.562 -3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.630 -1.204 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.122 -0.415 -3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.010 -1.669 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.920 -4.576 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.765 -3.431 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.621 -2.829 -1.464 1.00 0.00 H new ATOM 137 N ALA A 8 0.592 -0.986 -6.647 1.00 0.00 N ATOM 138 CA ALA A 8 0.569 0.255 -7.466 1.00 0.00 C ATOM 139 C ALA A 8 -0.507 0.120 -8.542 1.00 0.00 C ATOM 140 O ALA A 8 -1.161 1.075 -8.909 1.00 0.00 O ATOM 141 CB ALA A 8 1.934 0.455 -8.125 1.00 0.00 C ATOM 0 H ALA A 8 1.466 -1.511 -6.681 1.00 0.00 H new ATOM 0 HA ALA A 8 0.348 1.114 -6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.918 1.364 -8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.701 0.542 -7.355 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.158 -0.399 -8.765 1.00 0.00 H new ATOM 147 N GLN A 9 -0.695 -1.062 -9.057 1.00 0.00 N ATOM 148 CA GLN A 9 -1.728 -1.253 -10.109 1.00 0.00 C ATOM 149 C GLN A 9 -3.096 -0.837 -9.564 1.00 0.00 C ATOM 150 O GLN A 9 -3.881 -0.212 -10.247 1.00 0.00 O ATOM 151 CB GLN A 9 -1.769 -2.724 -10.523 1.00 0.00 C ATOM 152 CG GLN A 9 -2.684 -2.889 -11.738 1.00 0.00 C ATOM 153 CD GLN A 9 -2.803 -4.374 -12.090 1.00 0.00 C ATOM 154 OE1 GLN A 9 -2.071 -5.244 -11.450 1.00 0.00 O flip ATOM 155 NE2 GLN A 9 -3.570 -4.744 -12.955 1.00 0.00 N flip ATOM 0 H GLN A 9 -0.179 -1.902 -8.795 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.481 -0.639 -10.975 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.764 -3.073 -10.761 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.131 -3.335 -9.696 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.669 -2.475 -11.523 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.283 -2.334 -12.586 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.142 -4.063 -13.455 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.643 -5.736 -13.182 1.00 0.00 H new ATOM 164 N PHE A 10 -3.392 -1.178 -8.341 1.00 0.00 N ATOM 165 CA PHE A 10 -4.717 -0.797 -7.770 1.00 0.00 C ATOM 166 C PHE A 10 -4.798 0.716 -7.568 1.00 0.00 C ATOM 167 O PHE A 10 -5.750 1.351 -7.979 1.00 0.00 O ATOM 168 CB PHE A 10 -4.928 -1.489 -6.424 1.00 0.00 C ATOM 169 CG PHE A 10 -5.287 -2.940 -6.638 1.00 0.00 C ATOM 170 CD1 PHE A 10 -6.589 -3.286 -7.020 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.325 -3.938 -6.447 1.00 0.00 C ATOM 172 CE1 PHE A 10 -6.928 -4.629 -7.212 1.00 0.00 C ATOM 173 CE2 PHE A 10 -4.665 -5.283 -6.637 1.00 0.00 C ATOM 174 CZ PHE A 10 -5.966 -5.628 -7.020 1.00 0.00 C ATOM 0 H PHE A 10 -2.780 -1.700 -7.715 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.491 -1.110 -8.470 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.022 -1.415 -5.822 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.721 -0.988 -5.869 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.331 -2.515 -7.166 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.321 -3.671 -6.153 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.932 -4.896 -7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.923 -6.054 -6.488 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.228 -6.665 -7.168 1.00 0.00 H new ATOM 184 N VAL A 11 -3.822 1.303 -6.936 1.00 0.00 N ATOM 185 CA VAL A 11 -3.878 2.774 -6.714 1.00 0.00 C ATOM 186 C VAL A 11 -3.787 3.485 -8.065 1.00 0.00 C ATOM 187 O VAL A 11 -4.455 4.470 -8.305 1.00 0.00 O ATOM 188 CB VAL A 11 -2.726 3.210 -5.803 1.00 0.00 C ATOM 189 CG1 VAL A 11 -2.430 2.104 -4.789 1.00 0.00 C ATOM 190 CG2 VAL A 11 -1.470 3.487 -6.634 1.00 0.00 C ATOM 0 H VAL A 11 -2.995 0.834 -6.566 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.818 3.038 -6.229 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.015 4.122 -5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.610 2.414 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.318 1.916 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.150 1.192 -5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.659 3.796 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.180 2.582 -7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.677 4.281 -7.352 1.00 0.00 H new ATOM 200 N VAL A 12 -2.971 2.987 -8.953 1.00 0.00 N ATOM 201 CA VAL A 12 -2.849 3.629 -10.291 1.00 0.00 C ATOM 202 C VAL A 12 -4.191 3.534 -11.021 1.00 0.00 C ATOM 203 O VAL A 12 -4.675 4.498 -11.580 1.00 0.00 O ATOM 204 CB VAL A 12 -1.770 2.910 -11.099 1.00 0.00 C ATOM 205 CG1 VAL A 12 -1.737 3.462 -12.524 1.00 0.00 C ATOM 206 CG2 VAL A 12 -0.409 3.133 -10.437 1.00 0.00 C ATOM 0 H VAL A 12 -2.385 2.165 -8.810 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.574 4.677 -10.174 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.994 1.844 -11.131 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.966 2.946 -13.096 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.706 3.305 -12.997 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.515 4.529 -12.496 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.363 2.621 -11.011 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.190 4.200 -10.406 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.429 2.737 -9.422 1.00 0.00 H new ATOM 216 N GLU A 13 -4.799 2.377 -11.017 1.00 0.00 N ATOM 217 CA GLU A 13 -6.111 2.215 -11.701 1.00 0.00 C ATOM 218 C GLU A 13 -7.200 2.934 -10.909 1.00 0.00 C ATOM 219 O GLU A 13 -8.235 3.292 -11.437 1.00 0.00 O ATOM 220 CB GLU A 13 -6.445 0.730 -11.804 1.00 0.00 C ATOM 221 CG GLU A 13 -5.487 0.063 -12.787 1.00 0.00 C ATOM 222 CD GLU A 13 -5.856 -1.414 -12.941 1.00 0.00 C ATOM 223 OE1 GLU A 13 -6.696 -1.876 -12.186 1.00 0.00 O ATOM 224 OE2 GLU A 13 -5.293 -2.058 -13.809 1.00 0.00 O ATOM 0 H GLU A 13 -4.440 1.535 -10.567 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.055 2.647 -12.700 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.365 0.259 -10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.475 0.600 -12.137 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.536 0.563 -13.754 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.461 0.157 -12.431 1.00 0.00 H new ATOM 231 N GLU A 14 -6.982 3.130 -9.642 1.00 0.00 N ATOM 232 CA GLU A 14 -8.007 3.806 -8.801 1.00 0.00 C ATOM 233 C GLU A 14 -8.214 5.249 -9.269 1.00 0.00 C ATOM 234 O GLU A 14 -9.290 5.799 -9.134 1.00 0.00 O ATOM 235 CB GLU A 14 -7.544 3.809 -7.343 1.00 0.00 C ATOM 236 CG GLU A 14 -8.659 4.366 -6.453 1.00 0.00 C ATOM 237 CD GLU A 14 -8.159 4.465 -5.011 1.00 0.00 C ATOM 238 OE1 GLU A 14 -7.007 4.136 -4.779 1.00 0.00 O ATOM 239 OE2 GLU A 14 -8.937 4.868 -4.162 1.00 0.00 O ATOM 0 H GLU A 14 -6.134 2.850 -9.149 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.950 3.266 -8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.286 2.797 -7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.644 4.414 -7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.968 5.348 -6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.535 3.719 -6.502 1.00 0.00 H new ATOM 246 N PHE A 15 -7.201 5.876 -9.806 1.00 0.00 N ATOM 247 CA PHE A 15 -7.369 7.289 -10.260 1.00 0.00 C ATOM 248 C PHE A 15 -6.661 7.517 -11.600 1.00 0.00 C ATOM 249 O PHE A 15 -7.171 8.208 -12.461 1.00 0.00 O ATOM 250 CB PHE A 15 -6.785 8.230 -9.204 1.00 0.00 C ATOM 251 CG PHE A 15 -7.088 9.661 -9.578 1.00 0.00 C ATOM 252 CD1 PHE A 15 -8.365 10.186 -9.353 1.00 0.00 C ATOM 253 CD2 PHE A 15 -6.091 10.463 -10.145 1.00 0.00 C ATOM 254 CE1 PHE A 15 -8.648 11.513 -9.698 1.00 0.00 C ATOM 255 CE2 PHE A 15 -6.372 11.789 -10.491 1.00 0.00 C ATOM 256 CZ PHE A 15 -7.651 12.315 -10.268 1.00 0.00 C ATOM 0 H PHE A 15 -6.273 5.477 -9.949 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.432 7.492 -10.393 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.208 8.002 -8.225 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.708 8.084 -9.128 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.133 9.567 -8.913 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.104 10.058 -10.315 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.634 11.918 -9.525 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.603 12.407 -10.930 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.868 13.339 -10.535 1.00 0.00 H new ATOM 266 N LEU A 16 -5.491 6.963 -11.784 1.00 0.00 N ATOM 267 CA LEU A 16 -4.759 7.174 -13.066 1.00 0.00 C ATOM 268 C LEU A 16 -4.494 5.830 -13.756 1.00 0.00 C ATOM 269 O LEU A 16 -3.407 5.296 -13.683 1.00 0.00 O ATOM 270 CB LEU A 16 -3.422 7.851 -12.766 1.00 0.00 C ATOM 271 CG LEU A 16 -3.592 9.367 -12.858 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.513 10.055 -12.019 1.00 0.00 C ATOM 273 CD2 LEU A 16 -3.460 9.807 -14.318 1.00 0.00 C ATOM 0 H LEU A 16 -5.012 6.374 -11.102 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.363 7.798 -13.724 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.075 7.572 -11.771 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.664 7.515 -13.474 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.576 9.645 -12.481 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.635 11.136 -12.085 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.606 9.742 -10.979 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.528 9.777 -12.394 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.581 10.888 -14.385 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.476 9.528 -14.694 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.229 9.318 -14.916 1.00 0.00 H new ATOM 285 N PRO A 17 -5.477 5.293 -14.433 1.00 0.00 N ATOM 286 CA PRO A 17 -5.336 3.998 -15.155 1.00 0.00 C ATOM 287 C PRO A 17 -4.541 4.142 -16.456 1.00 0.00 C ATOM 288 O PRO A 17 -4.103 3.170 -17.039 1.00 0.00 O ATOM 289 CB PRO A 17 -6.777 3.577 -15.446 1.00 0.00 C ATOM 290 CG PRO A 17 -7.582 4.837 -15.437 1.00 0.00 C ATOM 291 CD PRO A 17 -6.829 5.860 -14.582 1.00 0.00 C ATOM 0 HA PRO A 17 -4.785 3.266 -14.565 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.850 3.074 -16.410 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.139 2.877 -14.693 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.718 5.212 -16.451 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.576 4.654 -15.029 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.799 6.836 -15.066 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.310 5.999 -13.614 1.00 0.00 H new ATOM 299 N ASP A 18 -4.355 5.349 -16.918 1.00 0.00 N ATOM 300 CA ASP A 18 -3.597 5.556 -18.180 1.00 0.00 C ATOM 301 C ASP A 18 -2.107 5.728 -17.867 1.00 0.00 C ATOM 302 O ASP A 18 -1.320 6.052 -18.733 1.00 0.00 O ATOM 303 CB ASP A 18 -4.119 6.810 -18.875 1.00 0.00 C ATOM 304 CG ASP A 18 -5.549 6.568 -19.361 1.00 0.00 C ATOM 305 OD1 ASP A 18 -5.972 5.424 -19.349 1.00 0.00 O ATOM 306 OD2 ASP A 18 -6.197 7.532 -19.737 1.00 0.00 O ATOM 0 H ASP A 18 -4.697 6.201 -16.473 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.728 4.691 -18.830 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.096 7.656 -18.188 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.476 7.066 -19.717 1.00 0.00 H new ATOM 311 N VAL A 19 -1.718 5.516 -16.638 1.00 0.00 N ATOM 312 CA VAL A 19 -0.280 5.670 -16.270 1.00 0.00 C ATOM 313 C VAL A 19 0.313 4.302 -15.930 1.00 0.00 C ATOM 314 O VAL A 19 -0.280 3.516 -15.217 1.00 0.00 O ATOM 315 CB VAL A 19 -0.162 6.591 -15.054 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.316 6.832 -14.739 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.842 7.926 -15.360 1.00 0.00 C ATOM 0 H VAL A 19 -2.334 5.243 -15.872 1.00 0.00 H new ATOM 0 HA VAL A 19 0.264 6.102 -17.110 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.645 6.125 -14.195 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.401 7.488 -13.873 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.802 5.881 -14.523 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.799 7.299 -15.597 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.759 8.583 -14.495 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.358 8.393 -16.218 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.895 7.755 -15.586 1.00 0.00 H new ATOM 327 N ALA A 20 1.482 4.011 -16.434 1.00 0.00 N ATOM 328 CA ALA A 20 2.115 2.696 -16.141 1.00 0.00 C ATOM 329 C ALA A 20 2.599 2.677 -14.679 1.00 0.00 C ATOM 330 O ALA A 20 3.427 3.480 -14.301 1.00 0.00 O ATOM 331 CB ALA A 20 3.318 2.504 -17.068 1.00 0.00 C ATOM 0 H ALA A 20 2.025 4.629 -17.037 1.00 0.00 H new ATOM 0 HA ALA A 20 1.391 1.896 -16.299 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.788 1.543 -16.860 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.985 2.528 -18.106 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.039 3.304 -16.899 1.00 0.00 H new ATOM 337 N PRO A 21 2.105 1.775 -13.856 1.00 0.00 N ATOM 338 CA PRO A 21 2.537 1.693 -12.429 1.00 0.00 C ATOM 339 C PRO A 21 4.062 1.646 -12.290 1.00 0.00 C ATOM 340 O PRO A 21 4.619 2.076 -11.298 1.00 0.00 O ATOM 341 CB PRO A 21 1.928 0.383 -11.925 1.00 0.00 C ATOM 342 CG PRO A 21 0.778 0.095 -12.831 1.00 0.00 C ATOM 343 CD PRO A 21 1.091 0.752 -14.176 1.00 0.00 C ATOM 0 HA PRO A 21 2.213 2.568 -11.866 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.660 -0.425 -11.953 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.597 0.478 -10.891 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.641 -0.980 -12.950 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.149 0.491 -12.415 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.472 0.026 -14.894 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.200 1.199 -14.617 1.00 0.00 H new ATOM 351 N ALA A 22 4.740 1.129 -13.276 1.00 0.00 N ATOM 352 CA ALA A 22 6.227 1.057 -13.202 1.00 0.00 C ATOM 353 C ALA A 22 6.802 2.475 -13.184 1.00 0.00 C ATOM 354 O ALA A 22 7.892 2.709 -12.701 1.00 0.00 O ATOM 355 CB ALA A 22 6.763 0.305 -14.422 1.00 0.00 C ATOM 0 H ALA A 22 4.329 0.753 -14.131 1.00 0.00 H new ATOM 0 HA ALA A 22 6.522 0.531 -12.294 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.850 0.252 -14.368 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.351 -0.704 -14.437 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.470 0.830 -15.331 1.00 0.00 H new ATOM 361 N ASP A 23 6.076 3.423 -13.712 1.00 0.00 N ATOM 362 CA ASP A 23 6.578 4.825 -13.733 1.00 0.00 C ATOM 363 C ASP A 23 6.313 5.490 -12.382 1.00 0.00 C ATOM 364 O ASP A 23 6.519 6.676 -12.213 1.00 0.00 O ATOM 365 CB ASP A 23 5.859 5.606 -14.836 1.00 0.00 C ATOM 366 CG ASP A 23 6.481 6.998 -14.963 1.00 0.00 C ATOM 367 OD1 ASP A 23 7.469 7.248 -14.293 1.00 0.00 O ATOM 368 OD2 ASP A 23 5.956 7.792 -15.728 1.00 0.00 O ATOM 0 H ASP A 23 5.156 3.286 -14.130 1.00 0.00 H new ATOM 0 HA ASP A 23 7.651 4.821 -13.927 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.937 5.073 -15.784 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.797 5.690 -14.604 1.00 0.00 H new ATOM 373 N VAL A 24 5.855 4.742 -11.415 1.00 0.00 N ATOM 374 CA VAL A 24 5.577 5.341 -10.078 1.00 0.00 C ATOM 375 C VAL A 24 6.687 4.950 -9.107 1.00 0.00 C ATOM 376 O VAL A 24 7.066 3.799 -9.017 1.00 0.00 O ATOM 377 CB VAL A 24 4.252 4.805 -9.540 1.00 0.00 C ATOM 378 CG1 VAL A 24 3.819 5.636 -8.330 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.182 4.888 -10.631 1.00 0.00 C ATOM 0 H VAL A 24 5.662 3.744 -11.493 1.00 0.00 H new ATOM 0 HA VAL A 24 5.527 6.425 -10.177 1.00 0.00 H new ATOM 0 HB VAL A 24 4.378 3.765 -9.239 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.873 5.254 -7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.580 5.570 -7.552 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.695 6.677 -8.629 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.238 4.505 -10.244 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.054 5.926 -10.937 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.491 4.292 -11.490 1.00 0.00 H new ATOM 389 N ASP A 25 7.207 5.889 -8.370 1.00 0.00 N ATOM 390 CA ASP A 25 8.282 5.549 -7.403 1.00 0.00 C ATOM 391 C ASP A 25 7.649 5.165 -6.066 1.00 0.00 C ATOM 392 O ASP A 25 6.947 5.946 -5.454 1.00 0.00 O ATOM 393 CB ASP A 25 9.192 6.762 -7.203 1.00 0.00 C ATOM 394 CG ASP A 25 9.927 7.072 -8.508 1.00 0.00 C ATOM 395 OD1 ASP A 25 9.908 6.230 -9.390 1.00 0.00 O ATOM 396 OD2 ASP A 25 10.497 8.147 -8.604 1.00 0.00 O ATOM 0 H ASP A 25 6.935 6.872 -8.395 1.00 0.00 H new ATOM 0 HA ASP A 25 8.870 4.715 -7.787 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.602 7.624 -6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.910 6.563 -6.408 1.00 0.00 H new ATOM 401 N VAL A 26 7.893 3.972 -5.603 1.00 0.00 N ATOM 402 CA VAL A 26 7.309 3.548 -4.304 1.00 0.00 C ATOM 403 C VAL A 26 8.109 4.181 -3.164 1.00 0.00 C ATOM 404 O VAL A 26 7.857 3.933 -2.003 1.00 0.00 O ATOM 405 CB VAL A 26 7.382 2.026 -4.195 1.00 0.00 C ATOM 406 CG1 VAL A 26 6.694 1.393 -5.406 1.00 0.00 C ATOM 407 CG2 VAL A 26 8.848 1.589 -4.157 1.00 0.00 C ATOM 0 H VAL A 26 8.472 3.273 -6.069 1.00 0.00 H new ATOM 0 HA VAL A 26 6.269 3.869 -4.242 1.00 0.00 H new ATOM 0 HB VAL A 26 6.881 1.703 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.746 0.307 -5.328 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.650 1.705 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.195 1.716 -6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.902 0.503 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.348 1.913 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.340 2.039 -3.295 1.00 0.00 H new ATOM 417 N ASP A 27 9.066 5.008 -3.490 1.00 0.00 N ATOM 418 CA ASP A 27 9.877 5.668 -2.434 1.00 0.00 C ATOM 419 C ASP A 27 9.177 6.956 -1.995 1.00 0.00 C ATOM 420 O ASP A 27 9.511 7.547 -0.988 1.00 0.00 O ATOM 421 CB ASP A 27 11.258 6.002 -2.994 1.00 0.00 C ATOM 422 CG ASP A 27 12.021 4.708 -3.279 1.00 0.00 C ATOM 423 OD1 ASP A 27 11.570 3.666 -2.831 1.00 0.00 O ATOM 424 OD2 ASP A 27 13.045 4.779 -3.940 1.00 0.00 O ATOM 0 H ASP A 27 9.320 5.254 -4.447 1.00 0.00 H new ATOM 0 HA ASP A 27 9.984 5.001 -1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.159 6.587 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.812 6.614 -2.282 1.00 0.00 H new ATOM 429 N LEU A 28 8.205 7.390 -2.748 1.00 0.00 N ATOM 430 CA LEU A 28 7.475 8.635 -2.387 1.00 0.00 C ATOM 431 C LEU A 28 6.214 8.268 -1.607 1.00 0.00 C ATOM 432 O LEU A 28 5.528 7.319 -1.931 1.00 0.00 O ATOM 433 CB LEU A 28 7.088 9.388 -3.659 1.00 0.00 C ATOM 434 CG LEU A 28 6.418 10.715 -3.292 1.00 0.00 C ATOM 435 CD1 LEU A 28 7.446 11.655 -2.653 1.00 0.00 C ATOM 436 CD2 LEU A 28 5.855 11.367 -4.556 1.00 0.00 C ATOM 0 H LEU A 28 7.884 6.933 -3.602 1.00 0.00 H new ATOM 0 HA LEU A 28 8.114 9.270 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.974 9.573 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.410 8.782 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 28 5.611 10.526 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.965 12.598 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.850 11.194 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.255 11.843 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.378 12.312 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.665 11.552 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.121 10.703 -5.012 1.00 0.00 H new ATOM 448 N ASP A 29 5.906 9.004 -0.577 1.00 0.00 N ATOM 449 CA ASP A 29 4.694 8.681 0.218 1.00 0.00 C ATOM 450 C ASP A 29 3.464 8.731 -0.684 1.00 0.00 C ATOM 451 O ASP A 29 3.349 9.563 -1.563 1.00 0.00 O ATOM 452 CB ASP A 29 4.541 9.689 1.358 1.00 0.00 C ATOM 453 CG ASP A 29 5.687 9.511 2.355 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.380 8.511 2.259 1.00 0.00 O ATOM 455 OD2 ASP A 29 5.853 10.377 3.199 1.00 0.00 O ATOM 0 H ASP A 29 6.439 9.811 -0.254 1.00 0.00 H new ATOM 0 HA ASP A 29 4.793 7.680 0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.544 10.705 0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.584 9.545 1.859 1.00 0.00 H new ATOM 460 N LEU A 30 2.554 7.827 -0.476 1.00 0.00 N ATOM 461 CA LEU A 30 1.328 7.773 -1.312 1.00 0.00 C ATOM 462 C LEU A 30 0.453 9.003 -1.053 1.00 0.00 C ATOM 463 O LEU A 30 -0.156 9.543 -1.952 1.00 0.00 O ATOM 464 CB LEU A 30 0.547 6.515 -0.941 1.00 0.00 C ATOM 465 CG LEU A 30 -0.208 6.000 -2.161 1.00 0.00 C ATOM 466 CD1 LEU A 30 -1.013 4.762 -1.768 1.00 0.00 C ATOM 467 CD2 LEU A 30 -1.152 7.089 -2.669 1.00 0.00 C ATOM 0 H LEU A 30 2.609 7.112 0.249 1.00 0.00 H new ATOM 0 HA LEU A 30 1.606 7.756 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.228 5.748 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.153 6.734 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 30 0.498 5.739 -2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.555 4.389 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.337 3.989 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.722 5.023 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.693 6.723 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.862 7.350 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.575 7.972 -2.944 1.00 0.00 H new ATOM 479 N VAL A 31 0.368 9.436 0.172 1.00 0.00 N ATOM 480 CA VAL A 31 -0.489 10.616 0.483 1.00 0.00 C ATOM 481 C VAL A 31 0.064 11.871 -0.190 1.00 0.00 C ATOM 482 O VAL A 31 -0.682 12.720 -0.638 1.00 0.00 O ATOM 483 CB VAL A 31 -0.542 10.831 1.989 1.00 0.00 C ATOM 484 CG1 VAL A 31 -1.288 12.133 2.277 1.00 0.00 C ATOM 485 CG2 VAL A 31 -1.283 9.660 2.634 1.00 0.00 C ATOM 0 H VAL A 31 0.853 9.027 0.971 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.493 10.425 0.104 1.00 0.00 H new ATOM 0 HB VAL A 31 0.467 10.890 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.332 12.297 3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.765 12.964 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.300 12.068 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.325 9.806 3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.296 9.606 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.757 8.731 2.414 1.00 0.00 H new ATOM 495 N ASP A 32 1.356 12.004 -0.268 1.00 0.00 N ATOM 496 CA ASP A 32 1.926 13.216 -0.916 1.00 0.00 C ATOM 497 C ASP A 32 1.293 13.360 -2.297 1.00 0.00 C ATOM 498 O ASP A 32 1.063 14.450 -2.781 1.00 0.00 O ATOM 499 CB ASP A 32 3.442 13.063 -1.059 1.00 0.00 C ATOM 500 CG ASP A 32 4.093 13.112 0.325 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.401 13.450 1.271 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.272 12.813 0.414 1.00 0.00 O ATOM 0 H ASP A 32 2.038 11.333 0.085 1.00 0.00 H new ATOM 0 HA ASP A 32 1.719 14.098 -0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.678 12.119 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.841 13.859 -1.688 1.00 0.00 H new ATOM 507 N ASN A 33 0.999 12.258 -2.924 1.00 0.00 N ATOM 508 CA ASN A 33 0.368 12.303 -4.269 1.00 0.00 C ATOM 509 C ASN A 33 -1.079 12.786 -4.147 1.00 0.00 C ATOM 510 O ASN A 33 -1.593 13.462 -5.015 1.00 0.00 O ATOM 511 CB ASN A 33 0.373 10.898 -4.860 1.00 0.00 C ATOM 512 CG ASN A 33 1.804 10.500 -5.228 1.00 0.00 C ATOM 513 OD1 ASN A 33 2.572 11.362 -5.835 1.00 0.00 O flip ATOM 514 ND2 ASN A 33 2.226 9.393 -4.958 1.00 0.00 N flip ATOM 0 H ASN A 33 1.170 11.321 -2.559 1.00 0.00 H new ATOM 0 HA ASN A 33 0.924 12.987 -4.910 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.039 10.189 -4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.264 10.862 -5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.625 8.720 -4.483 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.182 9.137 -5.206 1.00 0.00 H new ATOM 521 N GLY A 34 -1.741 12.435 -3.080 1.00 0.00 N ATOM 522 CA GLY A 34 -3.158 12.863 -2.906 1.00 0.00 C ATOM 523 C GLY A 34 -4.069 11.867 -3.620 1.00 0.00 C ATOM 524 O GLY A 34 -5.265 12.057 -3.716 1.00 0.00 O ATOM 0 H GLY A 34 -1.362 11.870 -2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.410 12.911 -1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.302 13.864 -3.313 1.00 0.00 H new ATOM 528 N VAL A 35 -3.507 10.802 -4.119 1.00 0.00 N ATOM 529 CA VAL A 35 -4.331 9.784 -4.825 1.00 0.00 C ATOM 530 C VAL A 35 -5.354 9.203 -3.850 1.00 0.00 C ATOM 531 O VAL A 35 -6.462 8.871 -4.222 1.00 0.00 O ATOM 532 CB VAL A 35 -3.427 8.665 -5.345 1.00 0.00 C ATOM 533 CG1 VAL A 35 -4.287 7.530 -5.904 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.524 9.213 -6.453 1.00 0.00 C ATOM 0 H VAL A 35 -2.510 10.593 -4.068 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.848 10.249 -5.665 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.813 8.286 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.642 6.733 -6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.931 7.139 -5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.902 7.908 -6.721 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.879 8.416 -6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.139 9.592 -7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.910 10.021 -6.056 1.00 0.00 H new ATOM 544 N ILE A 36 -4.991 9.077 -2.602 1.00 0.00 N ATOM 545 CA ILE A 36 -5.945 8.516 -1.608 1.00 0.00 C ATOM 546 C ILE A 36 -6.818 9.636 -1.039 1.00 0.00 C ATOM 547 O ILE A 36 -6.338 10.553 -0.402 1.00 0.00 O ATOM 548 CB ILE A 36 -5.168 7.852 -0.469 1.00 0.00 C ATOM 549 CG1 ILE A 36 -4.339 6.697 -1.022 1.00 0.00 C ATOM 550 CG2 ILE A 36 -6.145 7.305 0.565 1.00 0.00 C ATOM 551 CD1 ILE A 36 -3.428 6.152 0.080 1.00 0.00 C ATOM 0 H ILE A 36 -4.078 9.338 -2.230 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.578 7.777 -2.098 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.513 8.590 -0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.995 5.908 -1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.742 7.036 -1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.590 6.832 1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.747 8.121 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.798 6.569 0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.835 5.326 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.763 6.943 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.036 5.798 0.912 1.00 0.00 H new ATOM 563 N ASP A 37 -8.098 9.555 -1.264 1.00 0.00 N ATOM 564 CA ASP A 37 -9.029 10.589 -0.748 1.00 0.00 C ATOM 565 C ASP A 37 -10.000 9.931 0.235 1.00 0.00 C ATOM 566 O ASP A 37 -9.812 8.800 0.640 1.00 0.00 O ATOM 567 CB ASP A 37 -9.809 11.182 -1.917 1.00 0.00 C ATOM 568 CG ASP A 37 -8.867 12.004 -2.798 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.749 12.246 -2.371 1.00 0.00 O ATOM 570 OD2 ASP A 37 -9.277 12.379 -3.884 1.00 0.00 O ATOM 0 H ASP A 37 -8.543 8.804 -1.792 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.474 11.379 -0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.268 10.385 -2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.618 11.811 -1.546 1.00 0.00 H new ATOM 575 N ALA A 38 -11.040 10.618 0.618 1.00 0.00 N ATOM 576 CA ALA A 38 -12.012 10.007 1.568 1.00 0.00 C ATOM 577 C ALA A 38 -12.648 8.792 0.897 1.00 0.00 C ATOM 578 O ALA A 38 -12.596 7.687 1.402 1.00 0.00 O ATOM 579 CB ALA A 38 -13.097 11.027 1.921 1.00 0.00 C ATOM 0 H ALA A 38 -11.258 11.568 0.318 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.501 9.704 2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.807 10.578 2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.638 11.900 2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.620 11.331 1.014 1.00 0.00 H new ATOM 585 N LEU A 39 -13.215 8.983 -0.260 1.00 0.00 N ATOM 586 CA LEU A 39 -13.814 7.839 -0.987 1.00 0.00 C ATOM 587 C LEU A 39 -12.667 6.974 -1.480 1.00 0.00 C ATOM 588 O LEU A 39 -12.748 5.763 -1.524 1.00 0.00 O ATOM 589 CB LEU A 39 -14.630 8.347 -2.173 1.00 0.00 C ATOM 590 CG LEU A 39 -15.672 9.352 -1.687 1.00 0.00 C ATOM 591 CD1 LEU A 39 -16.597 9.729 -2.845 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.495 8.730 -0.557 1.00 0.00 C ATOM 0 H LEU A 39 -13.288 9.884 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.479 7.270 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.973 8.815 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.121 7.512 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 39 -15.169 10.246 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.341 10.446 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.011 10.174 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -17.100 8.835 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.238 9.448 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.998 7.835 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.836 8.463 0.269 1.00 0.00 H new ATOM 604 N GLY A 40 -11.582 7.605 -1.836 1.00 0.00 N ATOM 605 CA GLY A 40 -10.401 6.849 -2.312 1.00 0.00 C ATOM 606 C GLY A 40 -9.950 5.902 -1.204 1.00 0.00 C ATOM 607 O GLY A 40 -9.580 4.770 -1.449 1.00 0.00 O ATOM 0 H GLY A 40 -11.467 8.618 -1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.649 6.287 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.595 7.534 -2.576 1.00 0.00 H new ATOM 611 N LEU A 41 -9.993 6.357 0.017 1.00 0.00 N ATOM 612 CA LEU A 41 -9.584 5.491 1.150 1.00 0.00 C ATOM 613 C LEU A 41 -10.560 4.321 1.259 1.00 0.00 C ATOM 614 O LEU A 41 -10.172 3.189 1.461 1.00 0.00 O ATOM 615 CB LEU A 41 -9.611 6.314 2.439 1.00 0.00 C ATOM 616 CG LEU A 41 -9.080 5.476 3.600 1.00 0.00 C ATOM 617 CD1 LEU A 41 -8.238 6.363 4.516 1.00 0.00 C ATOM 618 CD2 LEU A 41 -10.256 4.901 4.392 1.00 0.00 C ATOM 0 H LEU A 41 -10.296 7.296 0.277 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.577 5.107 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.005 7.212 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.629 6.642 2.651 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.468 4.661 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.856 5.770 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.402 6.778 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.854 7.175 4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.878 4.303 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.866 5.716 4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.863 4.274 3.739 1.00 0.00 H new ATOM 630 N LEU A 42 -11.829 4.590 1.118 1.00 0.00 N ATOM 631 CA LEU A 42 -12.833 3.494 1.204 1.00 0.00 C ATOM 632 C LEU A 42 -12.567 2.480 0.094 1.00 0.00 C ATOM 633 O LEU A 42 -12.568 1.284 0.313 1.00 0.00 O ATOM 634 CB LEU A 42 -14.232 4.091 1.018 1.00 0.00 C ATOM 635 CG LEU A 42 -15.292 2.989 1.084 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.867 2.911 2.498 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.410 3.306 0.089 1.00 0.00 C ATOM 0 H LEU A 42 -12.213 5.520 0.947 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.764 3.000 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.423 4.836 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.291 4.605 0.059 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.839 2.031 0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.621 2.125 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.068 2.686 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.323 3.866 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.168 2.524 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.863 4.264 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.997 3.356 -0.919 1.00 0.00 H new ATOM 649 N LYS A 43 -12.349 2.951 -1.094 1.00 0.00 N ATOM 650 CA LYS A 43 -12.090 2.028 -2.228 1.00 0.00 C ATOM 651 C LYS A 43 -10.827 1.208 -1.950 1.00 0.00 C ATOM 652 O LYS A 43 -10.735 0.050 -2.305 1.00 0.00 O ATOM 653 CB LYS A 43 -11.901 2.840 -3.506 1.00 0.00 C ATOM 654 CG LYS A 43 -13.212 3.541 -3.868 1.00 0.00 C ATOM 655 CD LYS A 43 -13.051 4.263 -5.207 1.00 0.00 C ATOM 656 CE LYS A 43 -14.318 5.066 -5.510 1.00 0.00 C ATOM 657 NZ LYS A 43 -14.049 6.516 -5.299 1.00 0.00 N ATOM 0 H LYS A 43 -12.339 3.943 -1.332 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.937 1.352 -2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.110 3.576 -3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.589 2.187 -4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.021 2.813 -3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.483 4.253 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.187 4.926 -5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.867 3.540 -6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.636 4.890 -6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.132 4.738 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.910 7.062 -5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.765 6.676 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.284 6.823 -5.933 1.00 0.00 H new ATOM 671 N VAL A 44 -9.851 1.806 -1.322 1.00 0.00 N ATOM 672 CA VAL A 44 -8.590 1.071 -1.025 1.00 0.00 C ATOM 673 C VAL A 44 -8.891 -0.126 -0.124 1.00 0.00 C ATOM 674 O VAL A 44 -8.492 -1.241 -0.395 1.00 0.00 O ATOM 675 CB VAL A 44 -7.620 2.012 -0.310 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.415 1.218 0.198 1.00 0.00 C ATOM 677 CG2 VAL A 44 -7.143 3.090 -1.286 1.00 0.00 C ATOM 0 H VAL A 44 -9.874 2.774 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.146 0.718 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.127 2.481 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.725 1.890 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.753 0.450 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.908 0.747 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.451 3.761 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.637 2.619 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.000 3.658 -1.648 1.00 0.00 H new ATOM 687 N ILE A 45 -9.593 0.102 0.947 1.00 0.00 N ATOM 688 CA ILE A 45 -9.929 -1.006 1.879 1.00 0.00 C ATOM 689 C ILE A 45 -10.923 -1.976 1.232 1.00 0.00 C ATOM 690 O ILE A 45 -10.925 -3.153 1.523 1.00 0.00 O ATOM 691 CB ILE A 45 -10.546 -0.418 3.146 1.00 0.00 C ATOM 692 CG1 ILE A 45 -9.430 -0.021 4.117 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.451 -1.456 3.802 1.00 0.00 C ATOM 694 CD1 ILE A 45 -8.582 1.091 3.498 1.00 0.00 C ATOM 0 H ILE A 45 -9.952 1.017 1.219 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.018 -1.554 2.121 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.135 0.463 2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.858 0.317 5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.806 -0.886 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.891 -1.036 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.244 -1.737 3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.865 -2.338 4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.789 1.372 4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.142 0.737 2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.211 1.958 3.296 1.00 0.00 H new ATOM 706 N ALA A 46 -11.787 -1.490 0.385 1.00 0.00 N ATOM 707 CA ALA A 46 -12.805 -2.386 -0.242 1.00 0.00 C ATOM 708 C ALA A 46 -12.143 -3.459 -1.115 1.00 0.00 C ATOM 709 O ALA A 46 -12.448 -4.631 -1.004 1.00 0.00 O ATOM 710 CB ALA A 46 -13.740 -1.546 -1.109 1.00 0.00 C ATOM 0 H ALA A 46 -11.834 -0.512 0.098 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.360 -2.885 0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.487 -2.192 -1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.239 -0.800 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.163 -1.045 -1.886 1.00 0.00 H new ATOM 716 N TRP A 47 -11.248 -3.083 -1.986 1.00 0.00 N ATOM 717 CA TRP A 47 -10.601 -4.112 -2.851 1.00 0.00 C ATOM 718 C TRP A 47 -9.482 -4.808 -2.081 1.00 0.00 C ATOM 719 O TRP A 47 -9.347 -6.014 -2.117 1.00 0.00 O ATOM 720 CB TRP A 47 -10.016 -3.455 -4.101 1.00 0.00 C ATOM 721 CG TRP A 47 -8.541 -3.703 -4.140 1.00 0.00 C ATOM 722 CD1 TRP A 47 -7.953 -4.889 -4.421 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.464 -2.763 -3.888 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.579 -4.733 -4.348 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.229 -3.437 -4.022 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.443 -1.402 -3.556 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -5.014 -2.779 -3.831 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.224 -0.733 -3.363 1.00 0.00 C ATOM 729 CH2 TRP A 47 -5.011 -1.421 -3.499 1.00 0.00 C ATOM 0 H TRP A 47 -10.939 -2.123 -2.136 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.353 -4.844 -3.145 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.489 -3.860 -4.995 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.217 -2.384 -4.092 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.470 -5.806 -4.662 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.908 -5.483 -4.514 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.373 -0.863 -3.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.082 -3.315 -3.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.221 0.317 -3.109 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.075 -0.903 -3.348 1.00 0.00 H new ATOM 740 N LEU A 48 -8.670 -4.057 -1.396 1.00 0.00 N ATOM 741 CA LEU A 48 -7.549 -4.674 -0.640 1.00 0.00 C ATOM 742 C LEU A 48 -8.098 -5.686 0.368 1.00 0.00 C ATOM 743 O LEU A 48 -7.564 -6.765 0.529 1.00 0.00 O ATOM 744 CB LEU A 48 -6.790 -3.572 0.105 1.00 0.00 C ATOM 745 CG LEU A 48 -5.536 -4.146 0.761 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.393 -4.171 -0.255 1.00 0.00 C ATOM 747 CD2 LEU A 48 -5.142 -3.268 1.951 1.00 0.00 C ATOM 0 H LEU A 48 -8.734 -3.041 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.879 -5.187 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.515 -2.777 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.434 -3.125 0.863 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.736 -5.161 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.498 -4.581 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.675 -4.793 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.190 -3.157 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.247 -3.674 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.941 -2.254 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.957 -3.249 2.675 1.00 0.00 H new ATOM 759 N GLU A 49 -9.160 -5.352 1.047 1.00 0.00 N ATOM 760 CA GLU A 49 -9.733 -6.300 2.039 1.00 0.00 C ATOM 761 C GLU A 49 -10.422 -7.458 1.311 1.00 0.00 C ATOM 762 O GLU A 49 -10.403 -8.586 1.762 1.00 0.00 O ATOM 763 CB GLU A 49 -10.740 -5.559 2.921 1.00 0.00 C ATOM 764 CG GLU A 49 -12.046 -5.353 2.158 1.00 0.00 C ATOM 765 CD GLU A 49 -12.949 -6.577 2.336 1.00 0.00 C ATOM 766 OE1 GLU A 49 -12.466 -7.577 2.837 1.00 0.00 O ATOM 767 OE2 GLU A 49 -14.108 -6.491 1.966 1.00 0.00 O ATOM 0 H GLU A 49 -9.654 -4.464 0.957 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.936 -6.703 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.927 -6.128 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.331 -4.596 3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.553 -4.459 2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.838 -5.193 1.100 1.00 0.00 H new ATOM 774 N ASP A 50 -11.039 -7.188 0.193 1.00 0.00 N ATOM 775 CA ASP A 50 -11.740 -8.267 -0.559 1.00 0.00 C ATOM 776 C ASP A 50 -10.753 -9.357 -0.989 1.00 0.00 C ATOM 777 O ASP A 50 -11.068 -10.530 -0.976 1.00 0.00 O ATOM 778 CB ASP A 50 -12.392 -7.664 -1.800 1.00 0.00 C ATOM 779 CG ASP A 50 -13.268 -8.716 -2.483 1.00 0.00 C ATOM 780 OD1 ASP A 50 -14.403 -8.874 -2.066 1.00 0.00 O ATOM 781 OD2 ASP A 50 -12.789 -9.346 -3.411 1.00 0.00 O ATOM 0 H ASP A 50 -11.088 -6.263 -0.233 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.495 -8.715 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.995 -6.799 -1.523 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.626 -7.311 -2.490 1.00 0.00 H new ATOM 786 N ARG A 51 -9.574 -8.980 -1.395 1.00 0.00 N ATOM 787 CA ARG A 51 -8.580 -9.991 -1.853 1.00 0.00 C ATOM 788 C ARG A 51 -8.219 -10.969 -0.731 1.00 0.00 C ATOM 789 O ARG A 51 -8.003 -12.139 -0.974 1.00 0.00 O ATOM 790 CB ARG A 51 -7.318 -9.279 -2.329 1.00 0.00 C ATOM 791 CG ARG A 51 -7.636 -8.460 -3.580 1.00 0.00 C ATOM 792 CD ARG A 51 -6.342 -7.889 -4.161 1.00 0.00 C ATOM 793 NE ARG A 51 -5.618 -7.121 -3.110 1.00 0.00 N ATOM 794 CZ ARG A 51 -4.331 -6.935 -3.209 1.00 0.00 C ATOM 795 NH1 ARG A 51 -3.679 -7.419 -4.230 1.00 0.00 N ATOM 796 NH2 ARG A 51 -3.695 -6.264 -2.288 1.00 0.00 N ATOM 0 H ARG A 51 -9.254 -8.012 -1.430 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.024 -10.560 -2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.936 -8.628 -1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.537 -10.007 -2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.134 -9.086 -4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.324 -7.651 -3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.712 -8.696 -4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.567 -7.242 -5.009 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.129 -6.741 -2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.176 -7.943 -4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.672 -7.274 -4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.204 -5.885 -1.490 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.688 -6.119 -2.366 1.00 0.00 H new ATOM 810 N PHE A 52 -8.134 -10.513 0.491 1.00 0.00 N ATOM 811 CA PHE A 52 -7.764 -11.442 1.592 1.00 0.00 C ATOM 812 C PHE A 52 -9.018 -11.941 2.310 1.00 0.00 C ATOM 813 O PHE A 52 -8.960 -12.845 3.120 1.00 0.00 O ATOM 814 CB PHE A 52 -6.851 -10.708 2.574 1.00 0.00 C ATOM 815 CG PHE A 52 -5.531 -10.427 1.898 1.00 0.00 C ATOM 816 CD1 PHE A 52 -4.497 -11.369 1.966 1.00 0.00 C ATOM 817 CD2 PHE A 52 -5.342 -9.230 1.197 1.00 0.00 C ATOM 818 CE1 PHE A 52 -3.275 -11.114 1.333 1.00 0.00 C ATOM 819 CE2 PHE A 52 -4.121 -8.975 0.565 1.00 0.00 C ATOM 820 CZ PHE A 52 -3.087 -9.917 0.632 1.00 0.00 C ATOM 0 H PHE A 52 -8.303 -9.547 0.770 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.241 -12.305 1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.316 -9.776 2.896 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.696 -11.312 3.468 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.643 -12.292 2.507 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.139 -8.503 1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.477 -11.840 1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.975 -8.051 0.025 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.144 -9.720 0.143 1.00 0.00 H new ATOM 830 N GLY A 53 -10.154 -11.368 2.023 1.00 0.00 N ATOM 831 CA GLY A 53 -11.399 -11.823 2.695 1.00 0.00 C ATOM 832 C GLY A 53 -11.366 -11.370 4.148 1.00 0.00 C ATOM 833 O GLY A 53 -11.889 -12.025 5.027 1.00 0.00 O ATOM 0 H GLY A 53 -10.272 -10.607 1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.273 -11.410 2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.483 -12.908 2.640 1.00 0.00 H new ATOM 837 N ILE A 54 -10.739 -10.256 4.407 1.00 0.00 N ATOM 838 CA ILE A 54 -10.651 -9.756 5.805 1.00 0.00 C ATOM 839 C ILE A 54 -11.543 -8.527 5.973 1.00 0.00 C ATOM 840 O ILE A 54 -11.815 -7.815 5.031 1.00 0.00 O ATOM 841 CB ILE A 54 -9.200 -9.388 6.105 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.751 -8.289 5.138 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.316 -10.623 5.927 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.288 -7.935 5.407 1.00 0.00 C ATOM 0 H ILE A 54 -10.283 -9.670 3.708 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.986 -10.530 6.496 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.114 -9.029 7.130 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.871 -8.626 4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.378 -7.405 5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.279 -10.362 6.141 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.642 -11.406 6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.396 -10.983 4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.970 -7.153 4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.182 -7.580 6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.667 -8.819 5.263 1.00 0.00 H new ATOM 856 N ALA A 55 -12.013 -8.276 7.166 1.00 0.00 N ATOM 857 CA ALA A 55 -12.893 -7.093 7.384 1.00 0.00 C ATOM 858 C ALA A 55 -12.086 -5.962 8.024 1.00 0.00 C ATOM 859 O ALA A 55 -11.383 -6.158 8.994 1.00 0.00 O ATOM 860 CB ALA A 55 -14.047 -7.482 8.311 1.00 0.00 C ATOM 0 H ALA A 55 -11.826 -8.838 7.996 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.290 -6.756 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.692 -6.618 8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.625 -8.286 7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.648 -7.819 9.267 1.00 0.00 H new ATOM 866 N ALA A 56 -12.187 -4.776 7.489 1.00 0.00 N ATOM 867 CA ALA A 56 -11.431 -3.629 8.065 1.00 0.00 C ATOM 868 C ALA A 56 -11.990 -3.292 9.449 1.00 0.00 C ATOM 869 O ALA A 56 -11.298 -2.772 10.300 1.00 0.00 O ATOM 870 CB ALA A 56 -11.571 -2.412 7.149 1.00 0.00 C ATOM 0 H ALA A 56 -12.762 -4.552 6.677 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.378 -3.897 8.153 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.018 -1.573 7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.172 -2.651 6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.624 -2.144 7.059 1.00 0.00 H new ATOM 876 N ASP A 57 -13.242 -3.578 9.679 1.00 0.00 N ATOM 877 CA ASP A 57 -13.853 -3.272 11.001 1.00 0.00 C ATOM 878 C ASP A 57 -13.039 -3.928 12.117 1.00 0.00 C ATOM 879 O ASP A 57 -12.907 -3.391 13.200 1.00 0.00 O ATOM 880 CB ASP A 57 -15.281 -3.808 11.027 1.00 0.00 C ATOM 881 CG ASP A 57 -16.147 -3.004 10.057 1.00 0.00 C ATOM 882 OD1 ASP A 57 -15.686 -1.974 9.595 1.00 0.00 O ATOM 883 OD2 ASP A 57 -17.259 -3.434 9.791 1.00 0.00 O ATOM 0 H ASP A 57 -13.870 -4.013 9.004 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.860 -2.193 11.156 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.290 -4.862 10.750 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.688 -3.740 12.036 1.00 0.00 H new ATOM 888 N ASP A 58 -12.497 -5.087 11.868 1.00 0.00 N ATOM 889 CA ASP A 58 -11.700 -5.779 12.920 1.00 0.00 C ATOM 890 C ASP A 58 -10.615 -4.841 13.455 1.00 0.00 C ATOM 891 O ASP A 58 -10.306 -4.844 14.630 1.00 0.00 O ATOM 892 CB ASP A 58 -11.046 -7.025 12.326 1.00 0.00 C ATOM 893 CG ASP A 58 -10.428 -7.863 13.447 1.00 0.00 C ATOM 894 OD1 ASP A 58 -10.617 -7.508 14.598 1.00 0.00 O ATOM 895 OD2 ASP A 58 -9.775 -8.844 13.134 1.00 0.00 O ATOM 0 H ASP A 58 -12.571 -5.586 10.981 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.361 -6.066 13.738 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.786 -7.613 11.784 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.279 -6.738 11.607 1.00 0.00 H new ATOM 900 N VAL A 59 -10.034 -4.040 12.604 1.00 0.00 N ATOM 901 CA VAL A 59 -8.967 -3.105 13.065 1.00 0.00 C ATOM 902 C VAL A 59 -9.232 -1.705 12.505 1.00 0.00 C ATOM 903 O VAL A 59 -9.693 -1.549 11.393 1.00 0.00 O ATOM 904 CB VAL A 59 -7.607 -3.601 12.571 1.00 0.00 C ATOM 905 CG1 VAL A 59 -7.566 -3.542 11.042 1.00 0.00 C ATOM 906 CG2 VAL A 59 -6.501 -2.711 13.144 1.00 0.00 C ATOM 0 H VAL A 59 -10.252 -3.992 11.609 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.968 -3.065 14.154 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.455 -4.629 12.899 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.597 -3.895 10.690 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.354 -4.174 10.632 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.718 -2.514 10.713 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.531 -3.064 12.792 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.654 -1.683 12.815 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.529 -2.752 14.233 1.00 0.00 H new ATOM 916 N GLU A 60 -8.941 -0.684 13.265 1.00 0.00 N ATOM 917 CA GLU A 60 -9.177 0.701 12.770 1.00 0.00 C ATOM 918 C GLU A 60 -7.934 1.191 12.024 1.00 0.00 C ATOM 919 O GLU A 60 -6.819 1.016 12.474 1.00 0.00 O ATOM 920 CB GLU A 60 -9.458 1.627 13.955 1.00 0.00 C ATOM 921 CG GLU A 60 -9.837 3.011 13.444 1.00 0.00 C ATOM 922 CD GLU A 60 -10.012 3.966 14.626 1.00 0.00 C ATOM 923 OE1 GLU A 60 -9.815 3.529 15.749 1.00 0.00 O ATOM 924 OE2 GLU A 60 -10.342 5.116 14.390 1.00 0.00 O ATOM 0 H GLU A 60 -8.551 -0.749 14.205 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.034 0.706 12.096 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.265 1.220 14.564 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.578 1.693 14.595 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.064 3.386 12.772 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.761 2.956 12.868 1.00 0.00 H new ATOM 931 N LEU A 61 -8.116 1.795 10.883 1.00 0.00 N ATOM 932 CA LEU A 61 -6.952 2.287 10.105 1.00 0.00 C ATOM 933 C LEU A 61 -6.732 3.775 10.381 1.00 0.00 C ATOM 934 O LEU A 61 -7.666 4.552 10.429 1.00 0.00 O ATOM 935 CB LEU A 61 -7.232 2.081 8.618 1.00 0.00 C ATOM 936 CG LEU A 61 -7.556 0.613 8.359 1.00 0.00 C ATOM 937 CD1 LEU A 61 -7.786 0.398 6.863 1.00 0.00 C ATOM 938 CD2 LEU A 61 -6.386 -0.258 8.823 1.00 0.00 C ATOM 0 H LEU A 61 -9.026 1.968 10.456 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.057 1.737 10.397 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.066 2.709 8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.366 2.383 8.029 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.456 0.338 8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.018 -0.651 6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.619 1.018 6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.886 0.674 6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.618 -1.307 8.638 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.486 0.018 8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.220 -0.106 9.889 1.00 0.00 H new ATOM 950 N SER A 62 -5.501 4.177 10.553 1.00 0.00 N ATOM 951 CA SER A 62 -5.206 5.611 10.814 1.00 0.00 C ATOM 952 C SER A 62 -4.502 6.200 9.593 1.00 0.00 C ATOM 953 O SER A 62 -3.899 5.487 8.817 1.00 0.00 O ATOM 954 CB SER A 62 -4.297 5.731 12.037 1.00 0.00 C ATOM 955 OG SER A 62 -3.223 6.614 11.739 1.00 0.00 O ATOM 0 H SER A 62 -4.684 3.568 10.523 1.00 0.00 H new ATOM 0 HA SER A 62 -6.133 6.152 11.003 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.863 6.104 12.890 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.910 4.750 12.315 1.00 0.00 H new ATOM 0 HG SER A 62 -2.639 6.694 12.522 1.00 0.00 H new ATOM 961 N PRO A 63 -4.568 7.488 9.423 1.00 0.00 N ATOM 962 CA PRO A 63 -3.921 8.174 8.273 1.00 0.00 C ATOM 963 C PRO A 63 -2.430 7.831 8.175 1.00 0.00 C ATOM 964 O PRO A 63 -1.828 7.925 7.123 1.00 0.00 O ATOM 965 CB PRO A 63 -4.111 9.672 8.561 1.00 0.00 C ATOM 966 CG PRO A 63 -4.606 9.769 9.971 1.00 0.00 C ATOM 967 CD PRO A 63 -5.259 8.432 10.304 1.00 0.00 C ATOM 0 HA PRO A 63 -4.359 7.867 7.323 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.173 10.213 8.440 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.826 10.114 7.867 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.784 9.978 10.655 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.322 10.585 10.074 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.128 8.171 11.354 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.332 8.450 10.112 1.00 0.00 H new ATOM 975 N GLU A 64 -1.834 7.428 9.265 1.00 0.00 N ATOM 976 CA GLU A 64 -0.392 7.070 9.247 1.00 0.00 C ATOM 977 C GLU A 64 -0.201 5.772 8.471 1.00 0.00 C ATOM 978 O GLU A 64 0.841 5.527 7.900 1.00 0.00 O ATOM 979 CB GLU A 64 0.099 6.888 10.680 1.00 0.00 C ATOM 980 CG GLU A 64 -0.002 8.213 11.428 1.00 0.00 C ATOM 981 CD GLU A 64 0.558 8.048 12.842 1.00 0.00 C ATOM 982 OE1 GLU A 64 0.830 6.921 13.222 1.00 0.00 O ATOM 983 OE2 GLU A 64 0.707 9.051 13.520 1.00 0.00 O ATOM 0 H GLU A 64 -2.290 7.332 10.172 1.00 0.00 H new ATOM 0 HA GLU A 64 0.178 7.865 8.765 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.496 6.127 11.185 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.131 6.537 10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.551 8.986 10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.041 8.538 11.473 1.00 0.00 H new ATOM 990 N HIS A 65 -1.200 4.937 8.446 1.00 0.00 N ATOM 991 CA HIS A 65 -1.072 3.653 7.708 1.00 0.00 C ATOM 992 C HIS A 65 -0.939 3.947 6.218 1.00 0.00 C ATOM 993 O HIS A 65 -0.500 3.120 5.443 1.00 0.00 O ATOM 994 CB HIS A 65 -2.314 2.799 7.957 1.00 0.00 C ATOM 995 CG HIS A 65 -2.598 1.940 6.757 1.00 0.00 C ATOM 996 ND1 HIS A 65 -2.424 0.562 6.773 1.00 0.00 N ATOM 997 CD2 HIS A 65 -3.068 2.244 5.504 1.00 0.00 C ATOM 998 CE1 HIS A 65 -2.788 0.095 5.563 1.00 0.00 C ATOM 999 NE2 HIS A 65 -3.186 1.079 4.757 1.00 0.00 N ATOM 0 H HIS A 65 -2.099 5.088 8.904 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.190 3.113 8.053 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.164 2.172 8.836 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.170 3.440 8.166 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.083 0.006 7.557 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.309 3.236 5.153 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.761 -0.947 5.281 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.309 5.127 5.814 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.202 5.492 4.379 1.00 0.00 C ATOM 1010 C PHE A 66 0.083 6.290 4.171 1.00 0.00 C ATOM 1011 O PHE A 66 0.276 6.939 3.163 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.410 6.338 3.982 1.00 0.00 C ATOM 1013 CG PHE A 66 -3.675 5.643 4.427 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.016 5.615 5.786 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.507 5.026 3.485 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.188 4.971 6.202 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.678 4.383 3.902 1.00 0.00 C ATOM 1018 CZ PHE A 66 -6.019 4.357 5.260 1.00 0.00 C ATOM 0 H PHE A 66 -1.683 5.858 6.420 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.179 4.594 3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.343 7.325 4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.424 6.488 2.902 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.374 6.090 6.513 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.245 5.046 2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.450 4.949 7.250 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.319 3.906 3.176 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.924 3.862 5.580 1.00 0.00 H new ATOM 1028 N ARG A 67 0.957 6.243 5.133 1.00 0.00 N ATOM 1029 CA ARG A 67 2.238 6.989 5.036 1.00 0.00 C ATOM 1030 C ARG A 67 2.917 6.703 3.693 1.00 0.00 C ATOM 1031 O ARG A 67 3.486 7.586 3.081 1.00 0.00 O ATOM 1032 CB ARG A 67 3.139 6.528 6.179 1.00 0.00 C ATOM 1033 CG ARG A 67 3.420 5.032 6.021 1.00 0.00 C ATOM 1034 CD ARG A 67 3.468 4.352 7.392 1.00 0.00 C ATOM 1035 NE ARG A 67 4.433 3.218 7.351 1.00 0.00 N ATOM 1036 CZ ARG A 67 4.521 2.400 8.363 1.00 0.00 C ATOM 1037 NH1 ARG A 67 3.767 2.578 9.414 1.00 0.00 N ATOM 1038 NH2 ARG A 67 5.364 1.404 8.327 1.00 0.00 N ATOM 0 H ARG A 67 0.836 5.711 5.995 1.00 0.00 H new ATOM 0 HA ARG A 67 2.053 8.061 5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.073 7.089 6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.659 6.721 7.138 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.646 4.573 5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.367 4.886 5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.767 5.070 8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.477 3.990 7.665 1.00 0.00 H new ATOM 0 HE ARG A 67 5.025 3.081 6.532 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.109 3.357 9.444 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.836 1.938 10.205 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.955 1.265 7.507 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.432 0.765 9.119 1.00 0.00 H new ATOM 1052 N SER A 68 2.869 5.486 3.224 1.00 0.00 N ATOM 1053 CA SER A 68 3.518 5.171 1.923 1.00 0.00 C ATOM 1054 C SER A 68 2.997 3.838 1.385 1.00 0.00 C ATOM 1055 O SER A 68 2.497 3.011 2.120 1.00 0.00 O ATOM 1056 CB SER A 68 5.032 5.082 2.119 1.00 0.00 C ATOM 1057 OG SER A 68 5.339 3.917 2.874 1.00 0.00 O ATOM 0 H SER A 68 2.410 4.700 3.684 1.00 0.00 H new ATOM 0 HA SER A 68 3.284 5.960 1.208 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.534 5.046 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.397 5.970 2.635 1.00 0.00 H new ATOM 0 HG SER A 68 6.309 3.855 3.000 1.00 0.00 H new ATOM 1063 N ILE A 69 3.133 3.620 0.106 1.00 0.00 N ATOM 1064 CA ILE A 69 2.675 2.343 -0.487 1.00 0.00 C ATOM 1065 C ILE A 69 3.400 1.201 0.221 1.00 0.00 C ATOM 1066 O ILE A 69 2.860 0.132 0.433 1.00 0.00 O ATOM 1067 CB ILE A 69 3.031 2.335 -1.971 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.479 3.601 -2.626 1.00 0.00 C ATOM 1069 CG2 ILE A 69 2.409 1.111 -2.632 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.606 4.619 -2.827 1.00 0.00 C ATOM 0 H ILE A 69 3.545 4.279 -0.554 1.00 0.00 H new ATOM 0 HA ILE A 69 1.597 2.227 -0.372 1.00 0.00 H new ATOM 0 HB ILE A 69 4.114 2.302 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.024 3.355 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.696 4.031 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.661 1.102 -3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.794 0.207 -2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.326 1.147 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.205 5.518 -3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.041 4.875 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.375 4.189 -3.469 1.00 0.00 H new ATOM 1082 N ARG A 70 4.627 1.435 0.589 1.00 0.00 N ATOM 1083 CA ARG A 70 5.420 0.389 1.288 1.00 0.00 C ATOM 1084 C ARG A 70 4.675 -0.034 2.554 1.00 0.00 C ATOM 1085 O ARG A 70 4.615 -1.199 2.897 1.00 0.00 O ATOM 1086 CB ARG A 70 6.771 0.988 1.685 1.00 0.00 C ATOM 1087 CG ARG A 70 7.484 1.529 0.445 1.00 0.00 C ATOM 1088 CD ARG A 70 8.305 2.762 0.834 1.00 0.00 C ATOM 1089 NE ARG A 70 9.364 2.368 1.806 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.351 3.182 2.059 1.00 0.00 C ATOM 1091 NH1 ARG A 70 10.414 4.340 1.460 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.278 2.839 2.913 1.00 0.00 N ATOM 0 H ARG A 70 5.119 2.315 0.434 1.00 0.00 H new ATOM 0 HA ARG A 70 5.565 -0.473 0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.625 1.789 2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.387 0.230 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.134 0.763 0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.756 1.790 -0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.757 3.205 -0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.657 3.520 1.274 1.00 0.00 H new ATOM 0 HE ARG A 70 9.317 1.462 2.273 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.691 4.609 0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.187 4.976 1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.230 1.934 3.382 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.050 3.476 3.111 1.00 0.00 H new ATOM 1106 N SER A 71 4.101 0.909 3.248 1.00 0.00 N ATOM 1107 CA SER A 71 3.353 0.575 4.492 1.00 0.00 C ATOM 1108 C SER A 71 2.157 -0.312 4.146 1.00 0.00 C ATOM 1109 O SER A 71 1.821 -1.229 4.870 1.00 0.00 O ATOM 1110 CB SER A 71 2.858 1.864 5.146 1.00 0.00 C ATOM 1111 OG SER A 71 2.350 1.569 6.441 1.00 0.00 O ATOM 0 H SER A 71 4.118 1.900 3.006 1.00 0.00 H new ATOM 0 HA SER A 71 4.010 0.045 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.672 2.585 5.218 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.081 2.321 4.533 1.00 0.00 H new ATOM 0 HG SER A 71 1.436 1.913 6.520 1.00 0.00 H new ATOM 1117 N ILE A 72 1.508 -0.045 3.045 1.00 0.00 N ATOM 1118 CA ILE A 72 0.336 -0.866 2.654 1.00 0.00 C ATOM 1119 C ILE A 72 0.767 -2.324 2.509 1.00 0.00 C ATOM 1120 O ILE A 72 0.120 -3.225 3.007 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.200 -0.357 1.316 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.492 1.142 1.409 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.482 -1.104 0.969 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.370 1.416 2.623 1.00 0.00 C ATOM 0 H ILE A 72 1.743 0.710 2.400 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.441 -0.793 3.415 1.00 0.00 H new ATOM 0 HB ILE A 72 0.546 -0.528 0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.441 1.700 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.991 1.483 0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.867 -0.743 0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.273 -2.171 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.225 -0.933 1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.577 2.484 2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.308 0.870 2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.854 1.091 3.526 1.00 0.00 H new ATOM 1136 N ASP A 73 1.856 -2.567 1.835 1.00 0.00 N ATOM 1137 CA ASP A 73 2.323 -3.969 1.667 1.00 0.00 C ATOM 1138 C ASP A 73 2.573 -4.581 3.044 1.00 0.00 C ATOM 1139 O ASP A 73 2.216 -5.711 3.311 1.00 0.00 O ATOM 1140 CB ASP A 73 3.628 -3.979 0.874 1.00 0.00 C ATOM 1141 CG ASP A 73 3.973 -5.417 0.484 1.00 0.00 C ATOM 1142 OD1 ASP A 73 3.081 -6.248 0.513 1.00 0.00 O ATOM 1143 OD2 ASP A 73 5.125 -5.663 0.170 1.00 0.00 O ATOM 0 H ASP A 73 2.441 -1.857 1.395 1.00 0.00 H new ATOM 0 HA ASP A 73 1.566 -4.545 1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.529 -3.362 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.433 -3.549 1.471 1.00 0.00 H new ATOM 1148 N ALA A 74 3.190 -3.837 3.917 1.00 0.00 N ATOM 1149 CA ALA A 74 3.475 -4.359 5.280 1.00 0.00 C ATOM 1150 C ALA A 74 2.164 -4.572 6.037 1.00 0.00 C ATOM 1151 O ALA A 74 1.993 -5.547 6.738 1.00 0.00 O ATOM 1152 CB ALA A 74 4.342 -3.348 6.027 1.00 0.00 C ATOM 0 H ALA A 74 3.511 -2.884 3.744 1.00 0.00 H new ATOM 0 HA ALA A 74 4.000 -5.311 5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.556 -3.722 7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.277 -3.201 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.812 -2.398 6.100 1.00 0.00 H new ATOM 1158 N PHE A 75 1.239 -3.664 5.901 1.00 0.00 N ATOM 1159 CA PHE A 75 -0.061 -3.816 6.615 1.00 0.00 C ATOM 1160 C PHE A 75 -0.769 -5.079 6.124 1.00 0.00 C ATOM 1161 O PHE A 75 -1.262 -5.871 6.903 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.943 -2.603 6.336 1.00 0.00 C ATOM 1163 CG PHE A 75 -2.205 -2.703 7.159 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -2.214 -2.252 8.484 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -3.365 -3.249 6.597 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -3.383 -2.349 9.248 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -4.534 -3.346 7.360 1.00 0.00 C ATOM 1168 CZ PHE A 75 -4.543 -2.895 8.686 1.00 0.00 C ATOM 0 H PHE A 75 1.325 -2.825 5.328 1.00 0.00 H new ATOM 0 HA PHE A 75 0.124 -3.893 7.686 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.407 -1.686 6.581 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.190 -2.555 5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.319 -1.829 8.917 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.358 -3.596 5.574 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.390 -2.003 10.271 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.429 -3.768 6.927 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.445 -2.969 9.275 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.821 -5.276 4.835 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.491 -6.483 4.291 1.00 0.00 C ATOM 1180 C VAL A 76 -0.768 -7.732 4.792 1.00 0.00 C ATOM 1181 O VAL A 76 -1.380 -8.679 5.246 1.00 0.00 O ATOM 1182 CB VAL A 76 -1.428 -6.429 2.767 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -1.890 -7.759 2.189 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -2.338 -5.309 2.260 1.00 0.00 C ATOM 0 H VAL A 76 -0.425 -4.648 4.135 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.530 -6.517 4.618 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.402 -6.236 2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.844 -7.718 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.242 -8.557 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.916 -7.955 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.294 -5.269 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.363 -5.503 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.006 -4.356 2.672 1.00 0.00 H new ATOM 1194 N VAL A 77 0.535 -7.738 4.723 1.00 0.00 N ATOM 1195 CA VAL A 77 1.302 -8.913 5.201 1.00 0.00 C ATOM 1196 C VAL A 77 1.182 -9.011 6.723 1.00 0.00 C ATOM 1197 O VAL A 77 1.001 -10.077 7.275 1.00 0.00 O ATOM 1198 CB VAL A 77 2.768 -8.736 4.809 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.613 -9.787 5.518 1.00 0.00 C ATOM 1200 CG2 VAL A 77 2.912 -8.905 3.294 1.00 0.00 C ATOM 0 H VAL A 77 1.100 -6.974 4.354 1.00 0.00 H new ATOM 0 HA VAL A 77 0.909 -9.825 4.752 1.00 0.00 H new ATOM 0 HB VAL A 77 3.106 -7.741 5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.659 -9.662 5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.509 -9.671 6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.276 -10.782 5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.957 -8.779 3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.575 -9.901 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.306 -8.156 2.785 1.00 0.00 H new ATOM 1210 N GLY A 78 1.283 -7.899 7.400 1.00 0.00 N ATOM 1211 CA GLY A 78 1.180 -7.904 8.888 1.00 0.00 C ATOM 1212 C GLY A 78 -0.165 -8.490 9.322 1.00 0.00 C ATOM 1213 O GLY A 78 -0.288 -9.067 10.385 1.00 0.00 O ATOM 0 H GLY A 78 1.434 -6.980 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.995 -8.489 9.314 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.283 -6.889 9.270 1.00 0.00 H new ATOM 1217 N ALA A 79 -1.179 -8.325 8.521 1.00 0.00 N ATOM 1218 CA ALA A 79 -2.525 -8.847 8.897 1.00 0.00 C ATOM 1219 C ALA A 79 -2.544 -10.379 8.894 1.00 0.00 C ATOM 1220 O ALA A 79 -3.140 -10.996 9.755 1.00 0.00 O ATOM 1221 CB ALA A 79 -3.562 -8.328 7.899 1.00 0.00 C ATOM 0 H ALA A 79 -1.135 -7.850 7.619 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.761 -8.502 9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.548 -8.706 8.169 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.573 -7.238 7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.304 -8.669 6.896 1.00 0.00 H new ATOM 1227 N THR A 80 -1.924 -11.002 7.928 1.00 0.00 N ATOM 1228 CA THR A 80 -1.944 -12.492 7.878 1.00 0.00 C ATOM 1229 C THR A 80 -0.627 -13.072 8.393 1.00 0.00 C ATOM 1230 O THR A 80 -0.603 -14.124 9.000 1.00 0.00 O ATOM 1231 CB THR A 80 -2.166 -12.941 6.432 1.00 0.00 C ATOM 1232 OG1 THR A 80 -0.997 -12.675 5.670 1.00 0.00 O ATOM 1233 CG2 THR A 80 -3.351 -12.178 5.836 1.00 0.00 C ATOM 0 H THR A 80 -1.407 -10.547 7.176 1.00 0.00 H new ATOM 0 HA THR A 80 -2.752 -12.853 8.514 1.00 0.00 H new ATOM 0 HB THR A 80 -2.377 -14.010 6.411 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.137 -12.964 4.744 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.509 -12.498 4.806 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.247 -12.383 6.421 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.142 -11.108 5.856 1.00 0.00 H new ATOM 1241 N THR A 81 0.465 -12.408 8.147 1.00 0.00 N ATOM 1242 CA THR A 81 1.776 -12.935 8.611 1.00 0.00 C ATOM 1243 C THR A 81 2.576 -11.817 9.286 1.00 0.00 C ATOM 1244 O THR A 81 2.410 -10.662 8.968 1.00 0.00 O ATOM 1245 CB THR A 81 2.548 -13.451 7.402 1.00 0.00 C ATOM 1246 OG1 THR A 81 2.004 -12.883 6.219 1.00 0.00 O ATOM 1247 CG2 THR A 81 2.438 -14.973 7.337 1.00 0.00 C ATOM 0 H THR A 81 0.507 -11.522 7.644 1.00 0.00 H new ATOM 0 HA THR A 81 1.617 -13.740 9.328 1.00 0.00 H new ATOM 0 HB THR A 81 3.597 -13.169 7.492 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.500 -13.212 5.440 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.990 -15.341 6.472 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.855 -15.407 8.246 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.390 -15.259 7.247 1.00 0.00 H new