USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=7 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=-0.00915 USER MOD Set 1.2: A 81 THR OG1 : rot 36:sc= 0.806 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.0158 K(o=-0.016,f=-2.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.475 USER MOD Single : A 65 HIS : no HE2:sc= -7.77! C(o=-7.8!,f=-13!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.931 USER MOD Single : A 71 SER OG : rot -140:sc= -3.63! USER MOD ----------------------------------------------------------------- ATOM 63 N HIS A 3 3.658 -9.526 -4.833 1.00 0.00 N ATOM 64 CA HIS A 3 2.776 -8.769 -5.771 1.00 0.00 C ATOM 65 C HIS A 3 2.817 -7.270 -5.460 1.00 0.00 C ATOM 66 O HIS A 3 1.795 -6.614 -5.405 1.00 0.00 O ATOM 67 CB HIS A 3 1.337 -9.277 -5.642 1.00 0.00 C ATOM 68 CG HIS A 3 1.316 -10.770 -5.813 1.00 0.00 C ATOM 69 ND1 HIS A 3 1.406 -11.641 -4.735 1.00 0.00 N ATOM 70 CD2 HIS A 3 1.214 -11.565 -6.928 1.00 0.00 C ATOM 71 CE1 HIS A 3 1.357 -12.894 -5.220 1.00 0.00 C ATOM 72 NE2 HIS A 3 1.241 -12.902 -6.550 1.00 0.00 N ATOM 0 HA HIS A 3 3.134 -8.925 -6.789 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.930 -9.006 -4.668 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.705 -8.805 -6.394 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.126 -11.206 -7.943 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.405 -13.784 -4.610 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.184 -13.717 -7.160 1.00 0.00 H new ATOM 81 N ALA A 4 3.982 -6.717 -5.264 1.00 0.00 N ATOM 82 CA ALA A 4 4.067 -5.258 -4.970 1.00 0.00 C ATOM 83 C ALA A 4 3.530 -4.468 -6.167 1.00 0.00 C ATOM 84 O ALA A 4 2.836 -3.480 -6.015 1.00 0.00 O ATOM 85 CB ALA A 4 5.525 -4.870 -4.723 1.00 0.00 C ATOM 0 H ALA A 4 4.875 -7.209 -5.294 1.00 0.00 H new ATOM 0 HA ALA A 4 3.475 -5.031 -4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.586 -3.803 -4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.913 -5.434 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.117 -5.096 -5.610 1.00 0.00 H new ATOM 91 N SER A 5 3.847 -4.900 -7.358 1.00 0.00 N ATOM 92 CA SER A 5 3.361 -4.181 -8.567 1.00 0.00 C ATOM 93 C SER A 5 1.832 -4.173 -8.581 1.00 0.00 C ATOM 94 O SER A 5 1.210 -3.232 -9.032 1.00 0.00 O ATOM 95 CB SER A 5 3.878 -4.885 -9.822 1.00 0.00 C ATOM 96 OG SER A 5 3.550 -4.107 -10.966 1.00 0.00 O ATOM 0 H SER A 5 4.423 -5.721 -7.544 1.00 0.00 H new ATOM 0 HA SER A 5 3.728 -3.155 -8.548 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.958 -5.021 -9.758 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.436 -5.878 -9.904 1.00 0.00 H new ATOM 0 HG SER A 5 3.881 -4.555 -11.772 1.00 0.00 H new ATOM 102 N VAL A 6 1.222 -5.216 -8.092 1.00 0.00 N ATOM 103 CA VAL A 6 -0.266 -5.268 -8.081 1.00 0.00 C ATOM 104 C VAL A 6 -0.813 -4.105 -7.254 1.00 0.00 C ATOM 105 O VAL A 6 -1.731 -3.419 -7.655 1.00 0.00 O ATOM 106 CB VAL A 6 -0.723 -6.587 -7.465 1.00 0.00 C ATOM 107 CG1 VAL A 6 -2.229 -6.540 -7.213 1.00 0.00 C ATOM 108 CG2 VAL A 6 -0.402 -7.735 -8.425 1.00 0.00 C ATOM 0 H VAL A 6 1.689 -6.034 -7.700 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.639 -5.193 -9.103 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.203 -6.745 -6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.554 -7.483 -6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.458 -5.723 -6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.751 -6.381 -8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.728 -8.678 -7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.922 -7.575 -9.370 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.673 -7.770 -8.604 1.00 0.00 H new ATOM 118 N ILE A 7 -0.246 -3.873 -6.104 1.00 0.00 N ATOM 119 CA ILE A 7 -0.723 -2.751 -5.250 1.00 0.00 C ATOM 120 C ILE A 7 -0.544 -1.436 -6.009 1.00 0.00 C ATOM 121 O ILE A 7 -1.427 -0.597 -6.049 1.00 0.00 O ATOM 122 CB ILE A 7 0.103 -2.716 -3.965 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.039 -4.053 -3.237 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.399 -1.587 -3.064 1.00 0.00 C ATOM 125 CD1 ILE A 7 1.013 -4.149 -2.134 1.00 0.00 C ATOM 0 H ILE A 7 0.529 -4.413 -5.718 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.776 -2.890 -5.003 1.00 0.00 H new ATOM 0 HB ILE A 7 1.151 -2.543 -4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.038 -4.142 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.081 -4.877 -3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.191 -1.563 -2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.300 -0.635 -3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.447 -1.758 -2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.911 -5.102 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.008 -4.080 -2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.872 -3.334 -1.425 1.00 0.00 H new ATOM 137 N ALA A 8 0.595 -1.257 -6.622 1.00 0.00 N ATOM 138 CA ALA A 8 0.835 -0.006 -7.387 1.00 0.00 C ATOM 139 C ALA A 8 -0.189 0.090 -8.518 1.00 0.00 C ATOM 140 O ALA A 8 -0.663 1.156 -8.857 1.00 0.00 O ATOM 141 CB ALA A 8 2.246 -0.033 -7.977 1.00 0.00 C ATOM 0 H ALA A 8 1.367 -1.924 -6.625 1.00 0.00 H new ATOM 0 HA ALA A 8 0.737 0.856 -6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.423 0.884 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.976 -0.112 -7.171 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.346 -0.891 -8.642 1.00 0.00 H new ATOM 147 N GLN A 9 -0.533 -1.022 -9.106 1.00 0.00 N ATOM 148 CA GLN A 9 -1.526 -1.005 -10.217 1.00 0.00 C ATOM 149 C GLN A 9 -2.891 -0.547 -9.696 1.00 0.00 C ATOM 150 O GLN A 9 -3.592 0.201 -10.347 1.00 0.00 O ATOM 151 CB GLN A 9 -1.651 -2.414 -10.803 1.00 0.00 C ATOM 152 CG GLN A 9 -2.535 -2.370 -12.052 1.00 0.00 C ATOM 153 CD GLN A 9 -2.727 -3.790 -12.590 1.00 0.00 C ATOM 154 OE1 GLN A 9 -1.853 -4.329 -13.238 1.00 0.00 O ATOM 155 NE2 GLN A 9 -3.844 -4.420 -12.347 1.00 0.00 N ATOM 0 H GLN A 9 -0.169 -1.944 -8.865 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.190 -0.312 -10.988 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.665 -2.803 -11.056 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.081 -3.090 -10.064 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.501 -1.927 -11.811 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.076 -1.740 -12.814 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.577 -3.966 -11.803 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.983 -5.366 -12.702 1.00 0.00 H new ATOM 164 N PHE A 10 -3.280 -0.995 -8.534 1.00 0.00 N ATOM 165 CA PHE A 10 -4.608 -0.587 -7.989 1.00 0.00 C ATOM 166 C PHE A 10 -4.661 0.925 -7.786 1.00 0.00 C ATOM 167 O PHE A 10 -5.586 1.584 -8.218 1.00 0.00 O ATOM 168 CB PHE A 10 -4.854 -1.275 -6.647 1.00 0.00 C ATOM 169 CG PHE A 10 -5.461 -2.640 -6.864 1.00 0.00 C ATOM 170 CD1 PHE A 10 -6.809 -2.754 -7.223 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.683 -3.791 -6.691 1.00 0.00 C ATOM 172 CE1 PHE A 10 -7.379 -4.018 -7.411 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.255 -5.055 -6.876 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.602 -5.168 -7.237 1.00 0.00 C ATOM 0 H PHE A 10 -2.739 -1.623 -7.940 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.376 -0.882 -8.704 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.915 -1.369 -6.101 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.519 -0.666 -6.035 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.409 -1.866 -7.355 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.643 -3.704 -6.415 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.419 -4.106 -7.690 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.656 -5.944 -6.740 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.042 -6.144 -7.381 1.00 0.00 H new ATOM 184 N VAL A 11 -3.687 1.485 -7.129 1.00 0.00 N ATOM 185 CA VAL A 11 -3.711 2.955 -6.906 1.00 0.00 C ATOM 186 C VAL A 11 -3.607 3.669 -8.253 1.00 0.00 C ATOM 187 O VAL A 11 -4.283 4.647 -8.501 1.00 0.00 O ATOM 188 CB VAL A 11 -2.538 3.356 -6.010 1.00 0.00 C ATOM 189 CG1 VAL A 11 -2.741 2.772 -4.612 1.00 0.00 C ATOM 190 CG2 VAL A 11 -1.238 2.814 -6.601 1.00 0.00 C ATOM 0 H VAL A 11 -2.882 0.994 -6.740 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.643 3.239 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.485 4.443 -5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.905 3.058 -3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.669 3.156 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.794 1.685 -4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.402 3.099 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.292 1.727 -6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.091 3.228 -7.599 1.00 0.00 H new ATOM 200 N VAL A 12 -2.773 3.183 -9.130 1.00 0.00 N ATOM 201 CA VAL A 12 -2.638 3.831 -10.464 1.00 0.00 C ATOM 202 C VAL A 12 -3.964 3.718 -11.222 1.00 0.00 C ATOM 203 O VAL A 12 -4.446 4.675 -11.795 1.00 0.00 O ATOM 204 CB VAL A 12 -1.528 3.136 -11.252 1.00 0.00 C ATOM 205 CG1 VAL A 12 -1.501 3.664 -12.687 1.00 0.00 C ATOM 206 CG2 VAL A 12 -0.180 3.419 -10.586 1.00 0.00 C ATOM 0 H VAL A 12 -2.180 2.367 -8.981 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.386 4.884 -10.339 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.716 2.062 -11.266 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.708 3.165 -13.243 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.460 3.466 -13.166 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.316 4.738 -12.676 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.614 2.924 -11.146 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.001 4.494 -10.573 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.193 3.041 -9.564 1.00 0.00 H new ATOM 216 N GLU A 13 -4.561 2.554 -11.228 1.00 0.00 N ATOM 217 CA GLU A 13 -5.855 2.377 -11.945 1.00 0.00 C ATOM 218 C GLU A 13 -6.972 3.111 -11.205 1.00 0.00 C ATOM 219 O GLU A 13 -7.957 3.515 -11.789 1.00 0.00 O ATOM 220 CB GLU A 13 -6.186 0.890 -12.026 1.00 0.00 C ATOM 221 CG GLU A 13 -5.197 0.197 -12.958 1.00 0.00 C ATOM 222 CD GLU A 13 -5.575 -1.278 -13.101 1.00 0.00 C ATOM 223 OE1 GLU A 13 -6.449 -1.718 -12.374 1.00 0.00 O ATOM 224 OE2 GLU A 13 -4.985 -1.942 -13.937 1.00 0.00 O ATOM 0 H GLU A 13 -4.205 1.717 -10.765 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.767 2.790 -12.950 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.141 0.442 -11.033 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.204 0.753 -12.392 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.202 0.681 -13.935 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.185 0.287 -12.563 1.00 0.00 H new ATOM 231 N GLU A 14 -6.836 3.266 -9.920 1.00 0.00 N ATOM 232 CA GLU A 14 -7.899 3.950 -9.135 1.00 0.00 C ATOM 233 C GLU A 14 -8.029 5.414 -9.567 1.00 0.00 C ATOM 234 O GLU A 14 -9.098 5.988 -9.495 1.00 0.00 O ATOM 235 CB GLU A 14 -7.552 3.887 -7.646 1.00 0.00 C ATOM 236 CG GLU A 14 -8.728 4.421 -6.824 1.00 0.00 C ATOM 237 CD GLU A 14 -8.348 4.439 -5.343 1.00 0.00 C ATOM 238 OE1 GLU A 14 -7.224 4.076 -5.034 1.00 0.00 O ATOM 239 OE2 GLU A 14 -9.186 4.817 -4.541 1.00 0.00 O ATOM 0 H GLU A 14 -6.033 2.948 -9.378 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.848 3.446 -9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.329 2.860 -7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.657 4.476 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.991 5.426 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.607 3.795 -6.977 1.00 0.00 H new ATOM 246 N PHE A 15 -6.960 6.031 -10.001 1.00 0.00 N ATOM 247 CA PHE A 15 -7.054 7.465 -10.415 1.00 0.00 C ATOM 248 C PHE A 15 -6.340 7.701 -11.750 1.00 0.00 C ATOM 249 O PHE A 15 -6.799 8.474 -12.568 1.00 0.00 O ATOM 250 CB PHE A 15 -6.410 8.345 -9.342 1.00 0.00 C ATOM 251 CG PHE A 15 -7.197 8.236 -8.059 1.00 0.00 C ATOM 252 CD1 PHE A 15 -8.376 8.974 -7.896 1.00 0.00 C ATOM 253 CD2 PHE A 15 -6.748 7.399 -7.031 1.00 0.00 C ATOM 254 CE1 PHE A 15 -9.106 8.874 -6.705 1.00 0.00 C ATOM 255 CE2 PHE A 15 -7.477 7.300 -5.839 1.00 0.00 C ATOM 256 CZ PHE A 15 -8.656 8.037 -5.677 1.00 0.00 C ATOM 0 H PHE A 15 -6.035 5.610 -10.087 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.107 7.720 -10.534 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.378 8.036 -9.175 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.382 9.382 -9.676 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.722 9.620 -8.689 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.839 6.829 -7.157 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.016 9.442 -6.580 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.130 6.655 -5.045 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.219 7.960 -4.758 1.00 0.00 H new ATOM 266 N LEU A 16 -5.218 7.068 -11.975 1.00 0.00 N ATOM 267 CA LEU A 16 -4.480 7.292 -13.253 1.00 0.00 C ATOM 268 C LEU A 16 -4.269 5.967 -13.992 1.00 0.00 C ATOM 269 O LEU A 16 -3.202 5.393 -13.946 1.00 0.00 O ATOM 270 CB LEU A 16 -3.118 7.905 -12.930 1.00 0.00 C ATOM 271 CG LEU A 16 -3.231 9.431 -12.935 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.029 10.034 -12.207 1.00 0.00 C ATOM 273 CD2 LEU A 16 -3.259 9.937 -14.379 1.00 0.00 C ATOM 0 H LEU A 16 -4.782 6.408 -11.331 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.061 7.959 -13.889 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.773 7.558 -11.956 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.379 7.582 -13.663 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.149 9.728 -12.428 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.109 11.121 -12.210 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.009 9.675 -11.178 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.110 9.736 -12.713 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.340 11.024 -14.382 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.341 9.640 -14.887 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.116 9.508 -14.898 1.00 0.00 H new ATOM 285 N PRO A 17 -5.273 5.488 -14.682 1.00 0.00 N ATOM 286 CA PRO A 17 -5.176 4.215 -15.450 1.00 0.00 C ATOM 287 C PRO A 17 -4.365 4.377 -16.738 1.00 0.00 C ATOM 288 O PRO A 17 -3.947 3.411 -17.347 1.00 0.00 O ATOM 289 CB PRO A 17 -6.629 3.860 -15.765 1.00 0.00 C ATOM 290 CG PRO A 17 -7.387 5.149 -15.710 1.00 0.00 C ATOM 291 CD PRO A 17 -6.606 6.103 -14.804 1.00 0.00 C ATOM 0 HA PRO A 17 -4.659 3.440 -14.884 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.714 3.399 -16.749 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.022 3.145 -15.042 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.497 5.572 -16.708 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.392 4.987 -15.320 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.544 7.101 -15.238 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.085 6.208 -13.831 1.00 0.00 H new ATOM 299 N ASP A 18 -4.142 5.591 -17.161 1.00 0.00 N ATOM 300 CA ASP A 18 -3.363 5.818 -18.406 1.00 0.00 C ATOM 301 C ASP A 18 -1.880 5.991 -18.068 1.00 0.00 C ATOM 302 O ASP A 18 -1.082 6.345 -18.913 1.00 0.00 O ATOM 303 CB ASP A 18 -3.879 7.077 -19.094 1.00 0.00 C ATOM 304 CG ASP A 18 -5.299 6.835 -19.611 1.00 0.00 C ATOM 305 OD1 ASP A 18 -5.718 5.688 -19.617 1.00 0.00 O ATOM 306 OD2 ASP A 18 -5.942 7.798 -19.993 1.00 0.00 O ATOM 0 H ASP A 18 -4.468 6.437 -16.694 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.479 4.960 -19.069 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.873 7.914 -18.395 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.222 7.347 -19.920 1.00 0.00 H new ATOM 311 N VAL A 19 -1.507 5.749 -16.837 1.00 0.00 N ATOM 312 CA VAL A 19 -0.076 5.905 -16.443 1.00 0.00 C ATOM 313 C VAL A 19 0.511 4.538 -16.084 1.00 0.00 C ATOM 314 O VAL A 19 -0.097 3.755 -15.382 1.00 0.00 O ATOM 315 CB VAL A 19 0.019 6.831 -15.230 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.489 7.069 -14.882 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.648 8.169 -15.560 1.00 0.00 C ATOM 0 H VAL A 19 -2.132 5.450 -16.089 1.00 0.00 H new ATOM 0 HA VAL A 19 0.483 6.332 -17.275 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.485 6.370 -14.380 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.556 7.729 -14.017 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.967 6.117 -14.650 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.994 7.531 -15.731 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.582 8.831 -14.697 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.142 8.628 -16.409 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.696 8.002 -15.809 1.00 0.00 H new ATOM 327 N ALA A 20 1.691 4.247 -16.561 1.00 0.00 N ATOM 328 CA ALA A 20 2.321 2.933 -16.247 1.00 0.00 C ATOM 329 C ALA A 20 2.809 2.939 -14.787 1.00 0.00 C ATOM 330 O ALA A 20 3.643 3.745 -14.424 1.00 0.00 O ATOM 331 CB ALA A 20 3.520 2.720 -17.174 1.00 0.00 C ATOM 0 H ALA A 20 2.246 4.863 -17.155 1.00 0.00 H new ATOM 0 HA ALA A 20 1.594 2.133 -16.389 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.987 1.761 -16.951 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.184 2.727 -18.211 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.244 3.520 -17.022 1.00 0.00 H new ATOM 337 N PRO A 21 2.315 2.053 -13.946 1.00 0.00 N ATOM 338 CA PRO A 21 2.752 1.995 -12.519 1.00 0.00 C ATOM 339 C PRO A 21 4.277 1.947 -12.384 1.00 0.00 C ATOM 340 O PRO A 21 4.834 2.358 -11.387 1.00 0.00 O ATOM 341 CB PRO A 21 2.143 0.692 -11.994 1.00 0.00 C ATOM 342 CG PRO A 21 0.986 0.398 -12.887 1.00 0.00 C ATOM 343 CD PRO A 21 1.296 1.029 -14.244 1.00 0.00 C ATOM 0 HA PRO A 21 2.432 2.880 -11.969 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.872 -0.118 -12.018 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.821 0.800 -10.958 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.839 -0.678 -12.986 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.065 0.808 -12.472 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.671 0.289 -14.951 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.405 1.472 -14.689 1.00 0.00 H new ATOM 351 N ALA A 22 4.953 1.450 -13.383 1.00 0.00 N ATOM 352 CA ALA A 22 6.440 1.378 -13.315 1.00 0.00 C ATOM 353 C ALA A 22 7.016 2.795 -13.268 1.00 0.00 C ATOM 354 O ALA A 22 8.109 3.016 -12.784 1.00 0.00 O ATOM 355 CB ALA A 22 6.972 0.651 -14.551 1.00 0.00 C ATOM 0 H ALA A 22 4.540 1.091 -14.244 1.00 0.00 H new ATOM 0 HA ALA A 22 6.738 0.834 -12.418 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.060 0.598 -14.502 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.561 -0.358 -14.585 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.675 1.194 -15.448 1.00 0.00 H new ATOM 361 N ASP A 23 6.291 3.755 -13.772 1.00 0.00 N ATOM 362 CA ASP A 23 6.797 5.157 -13.763 1.00 0.00 C ATOM 363 C ASP A 23 6.538 5.792 -12.394 1.00 0.00 C ATOM 364 O ASP A 23 6.760 6.970 -12.197 1.00 0.00 O ATOM 365 CB ASP A 23 6.073 5.966 -14.843 1.00 0.00 C ATOM 366 CG ASP A 23 6.692 7.362 -14.936 1.00 0.00 C ATOM 367 OD1 ASP A 23 7.682 7.596 -14.262 1.00 0.00 O ATOM 368 OD2 ASP A 23 6.164 8.174 -15.677 1.00 0.00 O ATOM 0 H ASP A 23 5.369 3.629 -14.190 1.00 0.00 H new ATOM 0 HA ASP A 23 7.869 5.154 -13.963 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.149 5.458 -15.805 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.012 6.042 -14.605 1.00 0.00 H new ATOM 373 N VAL A 24 6.074 5.022 -11.447 1.00 0.00 N ATOM 374 CA VAL A 24 5.802 5.586 -10.092 1.00 0.00 C ATOM 375 C VAL A 24 6.860 5.082 -9.115 1.00 0.00 C ATOM 376 O VAL A 24 7.170 3.908 -9.075 1.00 0.00 O ATOM 377 CB VAL A 24 4.432 5.119 -9.607 1.00 0.00 C ATOM 378 CG1 VAL A 24 4.033 5.916 -8.363 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.394 5.337 -10.710 1.00 0.00 C ATOM 0 H VAL A 24 5.871 4.028 -11.552 1.00 0.00 H new ATOM 0 HA VAL A 24 5.825 6.674 -10.146 1.00 0.00 H new ATOM 0 HB VAL A 24 4.478 4.058 -9.360 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.055 5.583 -8.016 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.771 5.756 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.989 6.977 -8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.417 5.003 -10.361 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.347 6.397 -10.961 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.678 4.767 -11.595 1.00 0.00 H new ATOM 389 N ASP A 25 7.410 5.951 -8.314 1.00 0.00 N ATOM 390 CA ASP A 25 8.433 5.498 -7.338 1.00 0.00 C ATOM 391 C ASP A 25 7.736 5.082 -6.044 1.00 0.00 C ATOM 392 O ASP A 25 7.063 5.871 -5.411 1.00 0.00 O ATOM 393 CB ASP A 25 9.403 6.645 -7.045 1.00 0.00 C ATOM 394 CG ASP A 25 10.194 6.982 -8.311 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.153 6.191 -9.240 1.00 0.00 O ATOM 396 OD2 ASP A 25 10.826 8.026 -8.331 1.00 0.00 O ATOM 0 H ASP A 25 7.196 6.948 -8.294 1.00 0.00 H new ATOM 0 HA ASP A 25 8.985 4.653 -7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.853 7.522 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.084 6.363 -6.242 1.00 0.00 H new ATOM 401 N VAL A 26 7.895 3.853 -5.639 1.00 0.00 N ATOM 402 CA VAL A 26 7.245 3.400 -4.383 1.00 0.00 C ATOM 403 C VAL A 26 8.030 3.944 -3.188 1.00 0.00 C ATOM 404 O VAL A 26 7.731 3.647 -2.048 1.00 0.00 O ATOM 405 CB VAL A 26 7.239 1.873 -4.340 1.00 0.00 C ATOM 406 CG1 VAL A 26 6.553 1.327 -5.592 1.00 0.00 C ATOM 407 CG2 VAL A 26 8.680 1.360 -4.284 1.00 0.00 C ATOM 0 H VAL A 26 8.447 3.145 -6.124 1.00 0.00 H new ATOM 0 HA VAL A 26 6.219 3.767 -4.343 1.00 0.00 H new ATOM 0 HB VAL A 26 6.697 1.538 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.550 0.237 -5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.527 1.692 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.093 1.662 -6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.677 0.270 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.221 1.697 -5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.170 1.747 -3.390 1.00 0.00 H new ATOM 417 N ASP A 27 9.027 4.747 -3.441 1.00 0.00 N ATOM 418 CA ASP A 27 9.829 5.319 -2.329 1.00 0.00 C ATOM 419 C ASP A 27 9.226 6.661 -1.914 1.00 0.00 C ATOM 420 O ASP A 27 9.654 7.281 -0.961 1.00 0.00 O ATOM 421 CB ASP A 27 11.266 5.528 -2.804 1.00 0.00 C ATOM 422 CG ASP A 27 11.925 4.171 -3.055 1.00 0.00 C ATOM 423 OD1 ASP A 27 11.353 3.172 -2.649 1.00 0.00 O ATOM 424 OD2 ASP A 27 12.991 4.152 -3.649 1.00 0.00 O ATOM 0 H ASP A 27 9.320 5.031 -4.376 1.00 0.00 H new ATOM 0 HA ASP A 27 9.822 4.639 -1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.275 6.123 -3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.830 6.085 -2.056 1.00 0.00 H new ATOM 429 N LEU A 28 8.232 7.115 -2.628 1.00 0.00 N ATOM 430 CA LEU A 28 7.593 8.416 -2.285 1.00 0.00 C ATOM 431 C LEU A 28 6.319 8.158 -1.484 1.00 0.00 C ATOM 432 O LEU A 28 5.560 7.258 -1.784 1.00 0.00 O ATOM 433 CB LEU A 28 7.249 9.168 -3.570 1.00 0.00 C ATOM 434 CG LEU A 28 6.681 10.548 -3.225 1.00 0.00 C ATOM 435 CD1 LEU A 28 7.779 11.423 -2.617 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.152 11.210 -4.499 1.00 0.00 C ATOM 0 H LEU A 28 7.834 6.638 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 28 8.281 9.016 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.139 9.275 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.523 8.600 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 28 5.871 10.435 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.370 12.403 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.159 10.953 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.592 11.537 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.747 12.193 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.965 11.319 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.367 10.590 -4.932 1.00 0.00 H new ATOM 448 N ASP A 29 6.078 8.934 -0.466 1.00 0.00 N ATOM 449 CA ASP A 29 4.853 8.720 0.350 1.00 0.00 C ATOM 450 C ASP A 29 3.618 8.887 -0.532 1.00 0.00 C ATOM 451 O ASP A 29 3.518 9.806 -1.319 1.00 0.00 O ATOM 452 CB ASP A 29 4.814 9.738 1.492 1.00 0.00 C ATOM 453 CG ASP A 29 5.943 9.442 2.480 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.535 8.382 2.372 1.00 0.00 O ATOM 455 OD2 ASP A 29 6.197 10.283 3.327 1.00 0.00 O ATOM 0 H ASP A 29 6.674 9.705 -0.165 1.00 0.00 H new ATOM 0 HA ASP A 29 4.865 7.713 0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.919 10.748 1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.851 9.693 2.000 1.00 0.00 H new ATOM 460 N LEU A 30 2.684 7.989 -0.409 1.00 0.00 N ATOM 461 CA LEU A 30 1.453 8.063 -1.239 1.00 0.00 C ATOM 462 C LEU A 30 0.599 9.262 -0.814 1.00 0.00 C ATOM 463 O LEU A 30 0.009 9.935 -1.632 1.00 0.00 O ATOM 464 CB LEU A 30 0.648 6.779 -1.040 1.00 0.00 C ATOM 465 CG LEU A 30 -0.123 6.449 -2.318 1.00 0.00 C ATOM 466 CD1 LEU A 30 -1.044 5.257 -2.059 1.00 0.00 C ATOM 467 CD2 LEU A 30 -0.959 7.657 -2.742 1.00 0.00 C ATOM 0 H LEU A 30 2.721 7.200 0.237 1.00 0.00 H new ATOM 0 HA LEU A 30 1.731 8.179 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.316 5.956 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.045 6.898 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 30 0.581 6.202 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.595 5.019 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.448 4.395 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.746 5.506 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.507 7.418 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.664 7.908 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.302 8.507 -2.926 1.00 0.00 H new ATOM 479 N VAL A 31 0.510 9.519 0.457 1.00 0.00 N ATOM 480 CA VAL A 31 -0.331 10.658 0.926 1.00 0.00 C ATOM 481 C VAL A 31 0.227 11.984 0.415 1.00 0.00 C ATOM 482 O VAL A 31 -0.513 12.891 0.089 1.00 0.00 O ATOM 483 CB VAL A 31 -0.372 10.678 2.448 1.00 0.00 C ATOM 484 CG1 VAL A 31 -1.104 11.938 2.906 1.00 0.00 C ATOM 485 CG2 VAL A 31 -1.118 9.441 2.943 1.00 0.00 C ATOM 0 H VAL A 31 0.981 8.993 1.193 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.340 10.526 0.534 1.00 0.00 H new ATOM 0 HB VAL A 31 0.640 10.676 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.139 11.963 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.576 12.819 2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.120 11.933 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.152 9.448 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.134 9.447 2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.602 8.544 2.602 1.00 0.00 H new ATOM 495 N ASP A 32 1.520 12.116 0.341 1.00 0.00 N ATOM 496 CA ASP A 32 2.095 13.397 -0.151 1.00 0.00 C ATOM 497 C ASP A 32 1.446 13.728 -1.492 1.00 0.00 C ATOM 498 O ASP A 32 1.231 14.874 -1.830 1.00 0.00 O ATOM 499 CB ASP A 32 3.607 13.247 -0.333 1.00 0.00 C ATOM 500 CG ASP A 32 4.224 14.616 -0.627 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.496 15.594 -0.583 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.414 14.663 -0.890 1.00 0.00 O ATOM 0 H ASP A 32 2.199 11.399 0.597 1.00 0.00 H new ATOM 0 HA ASP A 32 1.905 14.195 0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.052 12.821 0.567 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.819 12.558 -1.150 1.00 0.00 H new ATOM 507 N ASN A 33 1.127 12.720 -2.252 1.00 0.00 N ATOM 508 CA ASN A 33 0.482 12.947 -3.573 1.00 0.00 C ATOM 509 C ASN A 33 -0.959 13.428 -3.378 1.00 0.00 C ATOM 510 O ASN A 33 -1.469 14.216 -4.150 1.00 0.00 O ATOM 511 CB ASN A 33 0.466 11.632 -4.343 1.00 0.00 C ATOM 512 CG ASN A 33 1.893 11.250 -4.737 1.00 0.00 C ATOM 513 OD1 ASN A 33 2.784 12.076 -4.715 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.150 10.023 -5.101 1.00 0.00 N ATOM 0 H ASN A 33 1.287 11.741 -2.013 1.00 0.00 H new ATOM 0 HA ASN A 33 1.041 13.704 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.024 10.846 -3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.154 11.728 -5.234 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.098 9.758 -5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.402 9.329 -5.120 1.00 0.00 H new ATOM 521 N GLY A 34 -1.622 12.948 -2.364 1.00 0.00 N ATOM 522 CA GLY A 34 -3.036 13.365 -2.131 1.00 0.00 C ATOM 523 C GLY A 34 -3.951 12.513 -3.005 1.00 0.00 C ATOM 524 O GLY A 34 -5.146 12.728 -3.068 1.00 0.00 O ATOM 0 H GLY A 34 -1.248 12.285 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.297 13.243 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.162 14.421 -2.370 1.00 0.00 H new ATOM 528 N VAL A 35 -3.399 11.538 -3.669 1.00 0.00 N ATOM 529 CA VAL A 35 -4.234 10.658 -4.529 1.00 0.00 C ATOM 530 C VAL A 35 -5.273 9.971 -3.648 1.00 0.00 C ATOM 531 O VAL A 35 -6.369 9.668 -4.075 1.00 0.00 O ATOM 532 CB VAL A 35 -3.350 9.605 -5.199 1.00 0.00 C ATOM 533 CG1 VAL A 35 -4.230 8.600 -5.944 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.408 10.290 -6.193 1.00 0.00 C ATOM 0 H VAL A 35 -2.404 11.313 -3.653 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.728 11.247 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.765 9.085 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.601 7.849 -6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.904 8.113 -5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.814 9.120 -6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.777 9.541 -6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.994 10.809 -6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.781 11.008 -5.665 1.00 0.00 H new ATOM 544 N ILE A 36 -4.931 9.726 -2.412 1.00 0.00 N ATOM 545 CA ILE A 36 -5.889 9.061 -1.490 1.00 0.00 C ATOM 546 C ILE A 36 -6.785 10.110 -0.832 1.00 0.00 C ATOM 547 O ILE A 36 -6.322 11.108 -0.317 1.00 0.00 O ATOM 548 CB ILE A 36 -5.117 8.311 -0.405 1.00 0.00 C ATOM 549 CG1 ILE A 36 -4.224 7.253 -1.044 1.00 0.00 C ATOM 550 CG2 ILE A 36 -6.099 7.624 0.536 1.00 0.00 C ATOM 551 CD1 ILE A 36 -3.323 6.645 0.030 1.00 0.00 C ATOM 0 H ILE A 36 -4.027 9.959 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.503 8.361 -2.057 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.505 9.021 0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.833 6.477 -1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.620 7.698 -1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.548 7.089 1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.742 8.372 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.710 6.919 -0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.681 5.887 -0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.706 7.427 0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.938 6.186 0.804 1.00 0.00 H new ATOM 563 N ASP A 37 -8.064 9.877 -0.842 1.00 0.00 N ATOM 564 CA ASP A 37 -9.017 10.835 -0.218 1.00 0.00 C ATOM 565 C ASP A 37 -9.920 10.066 0.752 1.00 0.00 C ATOM 566 O ASP A 37 -9.646 8.934 1.098 1.00 0.00 O ATOM 567 CB ASP A 37 -9.870 11.490 -1.308 1.00 0.00 C ATOM 568 CG ASP A 37 -10.658 12.656 -0.710 1.00 0.00 C ATOM 569 OD1 ASP A 37 -10.439 12.961 0.451 1.00 0.00 O ATOM 570 OD2 ASP A 37 -11.468 13.225 -1.422 1.00 0.00 O ATOM 0 H ASP A 37 -8.497 9.054 -1.261 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.471 11.610 0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.233 11.846 -2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.554 10.758 -1.738 1.00 0.00 H new ATOM 575 N ALA A 38 -10.992 10.664 1.191 1.00 0.00 N ATOM 576 CA ALA A 38 -11.900 9.950 2.134 1.00 0.00 C ATOM 577 C ALA A 38 -12.502 8.742 1.421 1.00 0.00 C ATOM 578 O ALA A 38 -12.385 7.617 1.868 1.00 0.00 O ATOM 579 CB ALA A 38 -13.019 10.893 2.582 1.00 0.00 C ATOM 0 H ALA A 38 -11.278 11.610 0.940 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.340 9.621 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.682 10.370 3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.586 11.759 3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.587 11.223 1.712 1.00 0.00 H new ATOM 585 N LEU A 39 -13.117 8.964 0.295 1.00 0.00 N ATOM 586 CA LEU A 39 -13.693 7.832 -0.468 1.00 0.00 C ATOM 587 C LEU A 39 -12.532 7.024 -1.019 1.00 0.00 C ATOM 588 O LEU A 39 -12.593 5.817 -1.145 1.00 0.00 O ATOM 589 CB LEU A 39 -14.548 8.363 -1.618 1.00 0.00 C ATOM 590 CG LEU A 39 -15.598 9.328 -1.074 1.00 0.00 C ATOM 591 CD1 LEU A 39 -16.574 9.704 -2.190 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.362 8.662 0.072 1.00 0.00 C ATOM 0 H LEU A 39 -13.244 9.883 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.325 7.216 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.918 8.870 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.034 7.536 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 39 -15.106 10.228 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.324 10.393 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.029 10.182 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -17.066 8.805 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.111 9.352 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.854 7.761 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.666 8.398 0.868 1.00 0.00 H new ATOM 604 N GLY A 40 -11.460 7.695 -1.333 1.00 0.00 N ATOM 605 CA GLY A 40 -10.270 6.992 -1.863 1.00 0.00 C ATOM 606 C GLY A 40 -9.806 5.971 -0.830 1.00 0.00 C ATOM 607 O GLY A 40 -9.453 4.854 -1.155 1.00 0.00 O ATOM 0 H GLY A 40 -11.361 8.706 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.512 6.496 -2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.473 7.705 -2.075 1.00 0.00 H new ATOM 611 N LEU A 41 -9.820 6.343 0.420 1.00 0.00 N ATOM 612 CA LEU A 41 -9.399 5.398 1.483 1.00 0.00 C ATOM 613 C LEU A 41 -10.391 4.239 1.537 1.00 0.00 C ATOM 614 O LEU A 41 -10.017 3.090 1.670 1.00 0.00 O ATOM 615 CB LEU A 41 -9.388 6.135 2.822 1.00 0.00 C ATOM 616 CG LEU A 41 -8.816 5.228 3.911 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.953 6.062 4.857 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.966 4.597 4.701 1.00 0.00 C ATOM 0 H LEU A 41 -10.107 7.265 0.749 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.402 5.011 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.790 7.043 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.400 6.442 3.086 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.211 4.444 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.542 5.420 5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.138 6.520 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.563 6.842 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.561 3.949 5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.567 5.383 5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.590 4.009 4.028 1.00 0.00 H new ATOM 630 N LEU A 42 -11.656 4.534 1.430 1.00 0.00 N ATOM 631 CA LEU A 42 -12.678 3.452 1.470 1.00 0.00 C ATOM 632 C LEU A 42 -12.425 2.479 0.320 1.00 0.00 C ATOM 633 O LEU A 42 -12.445 1.277 0.491 1.00 0.00 O ATOM 634 CB LEU A 42 -14.067 4.079 1.304 1.00 0.00 C ATOM 635 CG LEU A 42 -15.143 2.991 1.331 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.728 2.880 2.740 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.250 3.353 0.340 1.00 0.00 C ATOM 0 H LEU A 42 -12.026 5.478 1.317 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.620 2.919 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.247 4.799 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.117 4.627 0.363 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.702 2.034 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.494 2.105 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.936 2.623 3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.171 3.834 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.019 2.581 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.691 4.310 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.830 3.427 -0.663 1.00 0.00 H new ATOM 649 N LYS A 43 -12.194 2.993 -0.847 1.00 0.00 N ATOM 650 CA LYS A 43 -11.944 2.109 -2.014 1.00 0.00 C ATOM 651 C LYS A 43 -10.711 1.244 -1.745 1.00 0.00 C ATOM 652 O LYS A 43 -10.640 0.100 -2.150 1.00 0.00 O ATOM 653 CB LYS A 43 -11.706 2.963 -3.256 1.00 0.00 C ATOM 654 CG LYS A 43 -12.989 3.713 -3.619 1.00 0.00 C ATOM 655 CD LYS A 43 -12.777 4.483 -4.925 1.00 0.00 C ATOM 656 CE LYS A 43 -14.012 5.333 -5.224 1.00 0.00 C ATOM 657 NZ LYS A 43 -13.741 6.751 -4.855 1.00 0.00 N ATOM 0 H LYS A 43 -12.167 3.993 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.809 1.466 -2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.898 3.672 -3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.394 2.332 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.815 3.010 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.260 4.401 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.896 5.119 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.595 3.787 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.267 5.264 -6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.869 4.958 -4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.581 7.329 -5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.518 6.809 -3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.935 7.106 -5.408 1.00 0.00 H new ATOM 671 N VAL A 44 -9.736 1.786 -1.069 1.00 0.00 N ATOM 672 CA VAL A 44 -8.502 1.006 -0.776 1.00 0.00 C ATOM 673 C VAL A 44 -8.847 -0.213 0.080 1.00 0.00 C ATOM 674 O VAL A 44 -8.431 -1.320 -0.200 1.00 0.00 O ATOM 675 CB VAL A 44 -7.514 1.892 -0.017 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.336 1.045 0.467 1.00 0.00 C ATOM 677 CG2 VAL A 44 -6.999 2.993 -0.949 1.00 0.00 C ATOM 0 H VAL A 44 -9.741 2.739 -0.706 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.057 0.672 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.014 2.343 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.632 1.677 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.700 0.259 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.835 0.595 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.294 3.626 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.499 2.540 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.837 3.597 -1.296 1.00 0.00 H new ATOM 687 N ILE A 45 -9.598 -0.013 1.122 1.00 0.00 N ATOM 688 CA ILE A 45 -9.972 -1.147 2.010 1.00 0.00 C ATOM 689 C ILE A 45 -10.914 -2.117 1.288 1.00 0.00 C ATOM 690 O ILE A 45 -10.900 -3.303 1.539 1.00 0.00 O ATOM 691 CB ILE A 45 -10.668 -0.598 3.254 1.00 0.00 C ATOM 692 CG1 ILE A 45 -9.622 -0.247 4.317 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.625 -1.651 3.807 1.00 0.00 C ATOM 694 CD1 ILE A 45 -8.756 0.914 3.827 1.00 0.00 C ATOM 0 H ILE A 45 -9.973 0.894 1.400 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.067 -1.687 2.290 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.228 0.299 2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.115 0.024 5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.998 -1.115 4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.122 -1.260 4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.371 -1.897 3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.066 -2.549 4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.014 1.160 4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.251 0.627 2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.386 1.784 3.640 1.00 0.00 H new ATOM 706 N ALA A 46 -11.755 -1.626 0.421 1.00 0.00 N ATOM 707 CA ALA A 46 -12.717 -2.534 -0.273 1.00 0.00 C ATOM 708 C ALA A 46 -11.989 -3.519 -1.194 1.00 0.00 C ATOM 709 O ALA A 46 -12.228 -4.711 -1.149 1.00 0.00 O ATOM 710 CB ALA A 46 -13.681 -1.691 -1.108 1.00 0.00 C ATOM 0 H ALA A 46 -11.820 -0.641 0.162 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.257 -3.105 0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.388 -2.345 -1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.225 -1.008 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.118 -1.118 -1.845 1.00 0.00 H new ATOM 716 N TRP A 47 -11.108 -3.047 -2.033 1.00 0.00 N ATOM 717 CA TRP A 47 -10.396 -3.987 -2.948 1.00 0.00 C ATOM 718 C TRP A 47 -9.241 -4.658 -2.209 1.00 0.00 C ATOM 719 O TRP A 47 -9.027 -5.848 -2.321 1.00 0.00 O ATOM 720 CB TRP A 47 -9.849 -3.225 -4.156 1.00 0.00 C ATOM 721 CG TRP A 47 -8.371 -3.432 -4.242 1.00 0.00 C ATOM 722 CD1 TRP A 47 -7.761 -4.593 -4.573 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.311 -2.471 -3.993 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.390 -4.405 -4.530 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.065 -3.110 -4.179 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.316 -1.119 -3.627 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -4.860 -2.427 -4.002 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.108 -0.424 -3.448 1.00 0.00 C ATOM 729 CH2 TRP A 47 -4.882 -1.079 -3.635 1.00 0.00 C ATOM 0 H TRP A 47 -10.852 -2.064 -2.125 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.100 -4.747 -3.287 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.331 -3.574 -5.069 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.074 -2.163 -4.063 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.261 -5.515 -4.829 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.705 -5.133 -4.733 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.256 -0.607 -3.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.919 -2.936 -4.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.124 0.618 -3.165 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.956 -0.542 -3.495 1.00 0.00 H new ATOM 740 N LEU A 48 -8.484 -3.902 -1.467 1.00 0.00 N ATOM 741 CA LEU A 48 -7.331 -4.493 -0.739 1.00 0.00 C ATOM 742 C LEU A 48 -7.822 -5.600 0.197 1.00 0.00 C ATOM 743 O LEU A 48 -7.220 -6.652 0.295 1.00 0.00 O ATOM 744 CB LEU A 48 -6.649 -3.392 0.079 1.00 0.00 C ATOM 745 CG LEU A 48 -5.374 -3.925 0.730 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.214 -3.836 -0.263 1.00 0.00 C ATOM 747 CD2 LEU A 48 -5.050 -3.083 1.966 1.00 0.00 C ATOM 0 H LEU A 48 -8.615 -2.899 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.624 -4.920 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.410 -2.546 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.331 -3.025 0.846 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.521 -4.965 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.306 -4.217 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.445 -4.431 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.064 -2.797 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.141 -3.459 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.903 -2.044 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.876 -3.145 2.675 1.00 0.00 H new ATOM 759 N GLU A 49 -8.906 -5.378 0.886 1.00 0.00 N ATOM 760 CA GLU A 49 -9.423 -6.425 1.809 1.00 0.00 C ATOM 761 C GLU A 49 -10.032 -7.573 1.001 1.00 0.00 C ATOM 762 O GLU A 49 -9.938 -8.725 1.376 1.00 0.00 O ATOM 763 CB GLU A 49 -10.482 -5.808 2.724 1.00 0.00 C ATOM 764 CG GLU A 49 -11.802 -5.666 1.966 1.00 0.00 C ATOM 765 CD GLU A 49 -12.574 -6.989 1.995 1.00 0.00 C ATOM 766 OE1 GLU A 49 -12.296 -7.801 2.861 1.00 0.00 O ATOM 767 OE2 GLU A 49 -13.433 -7.167 1.147 1.00 0.00 O ATOM 0 H GLU A 49 -9.455 -4.519 0.850 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.606 -6.817 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.624 -6.434 3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.148 -4.832 3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.404 -4.875 2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.608 -5.373 0.934 1.00 0.00 H new ATOM 774 N ASP A 50 -10.664 -7.268 -0.099 1.00 0.00 N ATOM 775 CA ASP A 50 -11.288 -8.340 -0.924 1.00 0.00 C ATOM 776 C ASP A 50 -10.231 -9.343 -1.396 1.00 0.00 C ATOM 777 O ASP A 50 -10.476 -10.531 -1.461 1.00 0.00 O ATOM 778 CB ASP A 50 -11.954 -7.705 -2.143 1.00 0.00 C ATOM 779 CG ASP A 50 -12.756 -8.765 -2.900 1.00 0.00 C ATOM 780 OD1 ASP A 50 -13.886 -9.013 -2.515 1.00 0.00 O ATOM 781 OD2 ASP A 50 -12.224 -9.313 -3.852 1.00 0.00 O ATOM 0 H ASP A 50 -10.775 -6.321 -0.462 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.026 -8.867 -0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.610 -6.893 -1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.199 -7.270 -2.797 1.00 0.00 H new ATOM 786 N ARG A 51 -9.067 -8.875 -1.749 1.00 0.00 N ATOM 787 CA ARG A 51 -8.006 -9.798 -2.242 1.00 0.00 C ATOM 788 C ARG A 51 -7.603 -10.812 -1.167 1.00 0.00 C ATOM 789 O ARG A 51 -7.331 -11.958 -1.466 1.00 0.00 O ATOM 790 CB ARG A 51 -6.783 -8.987 -2.655 1.00 0.00 C ATOM 791 CG ARG A 51 -7.132 -8.120 -3.865 1.00 0.00 C ATOM 792 CD ARG A 51 -5.865 -7.448 -4.394 1.00 0.00 C ATOM 793 NE ARG A 51 -5.207 -6.689 -3.294 1.00 0.00 N ATOM 794 CZ ARG A 51 -3.916 -6.494 -3.314 1.00 0.00 C ATOM 795 NH1 ARG A 51 -3.199 -6.950 -4.305 1.00 0.00 N ATOM 796 NH2 ARG A 51 -3.342 -5.838 -2.344 1.00 0.00 N ATOM 0 H ARG A 51 -8.803 -7.890 -1.717 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.402 -10.347 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.453 -8.359 -1.827 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.956 -9.654 -2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.585 -8.732 -4.645 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.867 -7.365 -3.585 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.182 -8.199 -4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.113 -6.776 -5.216 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.766 -6.321 -2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.647 -7.460 -5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.191 -6.796 -4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.901 -5.478 -1.571 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.334 -5.685 -2.358 1.00 0.00 H new ATOM 810 N PHE A 52 -7.540 -10.413 0.076 1.00 0.00 N ATOM 811 CA PHE A 52 -7.130 -11.376 1.132 1.00 0.00 C ATOM 812 C PHE A 52 -8.363 -11.950 1.829 1.00 0.00 C ATOM 813 O PHE A 52 -8.277 -12.909 2.570 1.00 0.00 O ATOM 814 CB PHE A 52 -6.241 -10.655 2.143 1.00 0.00 C ATOM 815 CG PHE A 52 -4.937 -10.285 1.478 1.00 0.00 C ATOM 816 CD1 PHE A 52 -3.868 -11.188 1.486 1.00 0.00 C ATOM 817 CD2 PHE A 52 -4.800 -9.043 0.848 1.00 0.00 C ATOM 818 CE1 PHE A 52 -2.660 -10.848 0.864 1.00 0.00 C ATOM 819 CE2 PHE A 52 -3.592 -8.703 0.226 1.00 0.00 C ATOM 820 CZ PHE A 52 -2.522 -9.606 0.234 1.00 0.00 C ATOM 0 H PHE A 52 -7.753 -9.470 0.401 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.576 -12.199 0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.742 -9.760 2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.055 -11.296 3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.974 -12.147 1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.626 -8.347 0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.835 -11.545 0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.486 -7.744 -0.260 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.591 -9.344 -0.246 1.00 0.00 H new ATOM 830 N GLY A 53 -9.511 -11.376 1.599 1.00 0.00 N ATOM 831 CA GLY A 53 -10.740 -11.900 2.253 1.00 0.00 C ATOM 832 C GLY A 53 -10.700 -11.541 3.732 1.00 0.00 C ATOM 833 O GLY A 53 -11.209 -12.259 4.570 1.00 0.00 O ATOM 0 H GLY A 53 -9.650 -10.570 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.627 -11.474 1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.802 -12.981 2.129 1.00 0.00 H new ATOM 837 N ILE A 54 -10.089 -10.437 4.063 1.00 0.00 N ATOM 838 CA ILE A 54 -10.005 -10.038 5.493 1.00 0.00 C ATOM 839 C ILE A 54 -11.019 -8.930 5.781 1.00 0.00 C ATOM 840 O ILE A 54 -11.332 -8.126 4.930 1.00 0.00 O ATOM 841 CB ILE A 54 -8.592 -9.537 5.789 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.275 -8.351 4.873 1.00 0.00 C ATOM 843 CG2 ILE A 54 -7.589 -10.666 5.537 1.00 0.00 C ATOM 844 CD1 ILE A 54 -6.888 -7.803 5.206 1.00 0.00 C ATOM 0 H ILE A 54 -9.645 -9.796 3.405 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.229 -10.896 6.127 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.524 -9.220 6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.313 -8.664 3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.025 -7.570 4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.580 -10.310 5.748 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.820 -11.510 6.188 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.652 -10.983 4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.664 -6.959 4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.867 -7.474 6.245 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.143 -8.584 5.058 1.00 0.00 H new ATOM 856 N ALA A 55 -11.542 -8.887 6.977 1.00 0.00 N ATOM 857 CA ALA A 55 -12.541 -7.832 7.313 1.00 0.00 C ATOM 858 C ALA A 55 -11.822 -6.597 7.860 1.00 0.00 C ATOM 859 O ALA A 55 -11.255 -6.621 8.933 1.00 0.00 O ATOM 860 CB ALA A 55 -13.510 -8.367 8.368 1.00 0.00 C ATOM 0 H ALA A 55 -11.322 -9.535 7.734 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.094 -7.559 6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.241 -7.597 8.615 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.025 -9.244 7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.956 -8.642 9.265 1.00 0.00 H new ATOM 866 N ALA A 56 -11.848 -5.515 7.130 1.00 0.00 N ATOM 867 CA ALA A 56 -11.174 -4.276 7.607 1.00 0.00 C ATOM 868 C ALA A 56 -11.923 -3.719 8.820 1.00 0.00 C ATOM 869 O ALA A 56 -11.358 -3.047 9.658 1.00 0.00 O ATOM 870 CB ALA A 56 -11.172 -3.235 6.487 1.00 0.00 C ATOM 0 H ALA A 56 -12.308 -5.437 6.223 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.148 -4.508 7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.679 -2.327 6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.637 -3.631 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.199 -3.004 6.203 1.00 0.00 H new ATOM 876 N ASP A 57 -13.197 -3.988 8.916 1.00 0.00 N ATOM 877 CA ASP A 57 -13.987 -3.470 10.065 1.00 0.00 C ATOM 878 C ASP A 57 -13.349 -3.912 11.383 1.00 0.00 C ATOM 879 O ASP A 57 -13.356 -3.190 12.360 1.00 0.00 O ATOM 880 CB ASP A 57 -15.410 -4.016 9.978 1.00 0.00 C ATOM 881 CG ASP A 57 -16.121 -3.403 8.771 1.00 0.00 C ATOM 882 OD1 ASP A 57 -15.590 -2.459 8.211 1.00 0.00 O ATOM 883 OD2 ASP A 57 -17.186 -3.889 8.427 1.00 0.00 O ATOM 0 H ASP A 57 -13.725 -4.546 8.245 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.005 -2.381 10.030 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.389 -5.102 9.888 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.956 -3.783 10.892 1.00 0.00 H new ATOM 888 N ASP A 58 -12.802 -5.096 11.423 1.00 0.00 N ATOM 889 CA ASP A 58 -12.173 -5.582 12.683 1.00 0.00 C ATOM 890 C ASP A 58 -11.112 -4.584 13.153 1.00 0.00 C ATOM 891 O ASP A 58 -10.966 -4.334 14.333 1.00 0.00 O ATOM 892 CB ASP A 58 -11.518 -6.940 12.433 1.00 0.00 C ATOM 893 CG ASP A 58 -12.599 -7.988 12.165 1.00 0.00 C ATOM 894 OD1 ASP A 58 -13.759 -7.686 12.394 1.00 0.00 O ATOM 895 OD2 ASP A 58 -12.250 -9.075 11.734 1.00 0.00 O ATOM 0 H ASP A 58 -12.764 -5.747 10.639 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.939 -5.680 13.452 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.839 -6.877 11.582 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.920 -7.232 13.297 1.00 0.00 H new ATOM 900 N VAL A 59 -10.374 -4.013 12.240 1.00 0.00 N ATOM 901 CA VAL A 59 -9.321 -3.029 12.630 1.00 0.00 C ATOM 902 C VAL A 59 -9.544 -1.714 11.883 1.00 0.00 C ATOM 903 O VAL A 59 -9.815 -1.701 10.698 1.00 0.00 O ATOM 904 CB VAL A 59 -7.946 -3.589 12.274 1.00 0.00 C ATOM 905 CG1 VAL A 59 -6.860 -2.631 12.767 1.00 0.00 C ATOM 906 CG2 VAL A 59 -7.763 -4.954 12.940 1.00 0.00 C ATOM 0 H VAL A 59 -10.454 -4.185 11.238 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.375 -2.848 13.704 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.868 -3.699 11.192 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.879 -3.031 12.513 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.990 -1.659 12.292 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.937 -2.519 13.849 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.781 -5.354 12.686 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.841 -4.845 14.022 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.536 -5.637 12.588 1.00 0.00 H new ATOM 916 N GLU A 60 -9.430 -0.604 12.559 1.00 0.00 N ATOM 917 CA GLU A 60 -9.635 0.705 11.876 1.00 0.00 C ATOM 918 C GLU A 60 -8.302 1.191 11.304 1.00 0.00 C ATOM 919 O GLU A 60 -7.292 1.201 11.979 1.00 0.00 O ATOM 920 CB GLU A 60 -10.163 1.729 12.881 1.00 0.00 C ATOM 921 CG GLU A 60 -10.508 3.025 12.157 1.00 0.00 C ATOM 922 CD GLU A 60 -10.937 4.084 13.175 1.00 0.00 C ATOM 923 OE1 GLU A 60 -10.922 3.780 14.357 1.00 0.00 O ATOM 924 OE2 GLU A 60 -11.272 5.179 12.756 1.00 0.00 O ATOM 0 H GLU A 60 -9.204 -0.546 13.552 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.357 0.586 11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.046 1.336 13.386 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.414 1.918 13.650 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.646 3.378 11.592 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.310 2.850 11.439 1.00 0.00 H new ATOM 931 N LEU A 61 -8.290 1.589 10.061 1.00 0.00 N ATOM 932 CA LEU A 61 -7.029 2.066 9.443 1.00 0.00 C ATOM 933 C LEU A 61 -7.004 3.596 9.437 1.00 0.00 C ATOM 934 O LEU A 61 -8.011 4.241 9.217 1.00 0.00 O ATOM 935 CB LEU A 61 -6.957 1.551 8.007 1.00 0.00 C ATOM 936 CG LEU A 61 -7.144 0.034 7.995 1.00 0.00 C ATOM 937 CD1 LEU A 61 -6.913 -0.499 6.580 1.00 0.00 C ATOM 938 CD2 LEU A 61 -6.141 -0.615 8.952 1.00 0.00 C ATOM 0 H LEU A 61 -9.105 1.603 9.448 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.177 1.697 10.014 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.727 2.027 7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.996 1.812 7.564 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.158 -0.206 8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.047 -1.581 6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.628 -0.040 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.899 -0.256 6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.276 -1.697 8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.127 -0.373 8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.305 -0.238 9.962 1.00 0.00 H new ATOM 950 N SER A 62 -5.859 4.179 9.669 1.00 0.00 N ATOM 951 CA SER A 62 -5.757 5.662 9.671 1.00 0.00 C ATOM 952 C SER A 62 -4.973 6.107 8.437 1.00 0.00 C ATOM 953 O SER A 62 -4.207 5.350 7.875 1.00 0.00 O ATOM 954 CB SER A 62 -5.027 6.122 10.933 1.00 0.00 C ATOM 955 OG SER A 62 -4.010 7.049 10.577 1.00 0.00 O ATOM 0 H SER A 62 -4.986 3.686 9.858 1.00 0.00 H new ATOM 0 HA SER A 62 -6.755 6.101 9.653 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.730 6.585 11.625 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.590 5.266 11.447 1.00 0.00 H new ATOM 0 HG SER A 62 -3.541 7.347 11.385 1.00 0.00 H new ATOM 961 N PRO A 63 -5.160 7.328 8.018 1.00 0.00 N ATOM 962 CA PRO A 63 -4.459 7.884 6.828 1.00 0.00 C ATOM 963 C PRO A 63 -2.936 7.760 6.954 1.00 0.00 C ATOM 964 O PRO A 63 -2.222 7.736 5.972 1.00 0.00 O ATOM 965 CB PRO A 63 -4.877 9.360 6.791 1.00 0.00 C ATOM 966 CG PRO A 63 -5.527 9.643 8.108 1.00 0.00 C ATOM 967 CD PRO A 63 -6.054 8.313 8.633 1.00 0.00 C ATOM 0 HA PRO A 63 -4.724 7.345 5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.012 10.006 6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.566 9.549 5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.812 10.078 8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.338 10.362 7.992 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.015 8.267 9.721 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.092 8.150 8.344 1.00 0.00 H new ATOM 975 N GLU A 64 -2.439 7.675 8.157 1.00 0.00 N ATOM 976 CA GLU A 64 -0.973 7.546 8.356 1.00 0.00 C ATOM 977 C GLU A 64 -0.521 6.177 7.865 1.00 0.00 C ATOM 978 O GLU A 64 0.597 5.999 7.429 1.00 0.00 O ATOM 979 CB GLU A 64 -0.649 7.693 9.839 1.00 0.00 C ATOM 980 CG GLU A 64 -1.044 9.085 10.314 1.00 0.00 C ATOM 981 CD GLU A 64 -0.643 9.261 11.780 1.00 0.00 C ATOM 982 OE1 GLU A 64 -0.251 8.279 12.387 1.00 0.00 O ATOM 983 OE2 GLU A 64 -0.737 10.375 12.269 1.00 0.00 O ATOM 0 H GLU A 64 -2.991 7.690 9.014 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.454 8.323 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.183 6.937 10.415 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.415 7.529 10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.556 9.842 9.700 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.119 9.227 10.201 1.00 0.00 H new ATOM 990 N HIS A 65 -1.384 5.206 7.932 1.00 0.00 N ATOM 991 CA HIS A 65 -1.005 3.849 7.468 1.00 0.00 C ATOM 992 C HIS A 65 -0.778 3.888 5.958 1.00 0.00 C ATOM 993 O HIS A 65 -0.147 3.021 5.388 1.00 0.00 O ATOM 994 CB HIS A 65 -2.123 2.862 7.796 1.00 0.00 C ATOM 995 CG HIS A 65 -2.028 1.676 6.879 1.00 0.00 C ATOM 996 ND1 HIS A 65 -3.111 1.229 6.134 1.00 0.00 N ATOM 997 CD2 HIS A 65 -0.985 0.839 6.567 1.00 0.00 C ATOM 998 CE1 HIS A 65 -2.697 0.168 5.417 1.00 0.00 C ATOM 999 NE2 HIS A 65 -1.413 -0.107 5.645 1.00 0.00 N ATOM 0 H HIS A 65 -2.336 5.295 8.288 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.092 3.529 7.970 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.045 2.540 8.834 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.094 3.345 7.684 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.048 1.631 6.131 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.013 0.906 6.975 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.327 -0.391 4.741 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.287 4.897 5.312 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.104 5.015 3.843 1.00 0.00 C ATOM 1010 C PHE A 66 0.108 5.902 3.573 1.00 0.00 C ATOM 1011 O PHE A 66 0.331 6.366 2.474 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.349 5.645 3.222 1.00 0.00 C ATOM 1013 CG PHE A 66 -3.573 4.863 3.637 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.036 4.934 4.957 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.252 4.074 2.701 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.174 4.216 5.341 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.390 3.356 3.085 1.00 0.00 C ATOM 1018 CZ PHE A 66 -5.851 3.428 4.405 1.00 0.00 C ATOM 0 H PHE A 66 -1.825 5.649 5.742 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.949 4.029 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.442 6.683 3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.261 5.653 2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.514 5.544 5.679 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.897 4.019 1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.529 4.270 6.359 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.913 2.746 2.363 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.730 2.875 4.701 1.00 0.00 H new ATOM 1028 N ARG A 67 0.886 6.140 4.589 1.00 0.00 N ATOM 1029 CA ARG A 67 2.089 6.997 4.445 1.00 0.00 C ATOM 1030 C ARG A 67 2.854 6.639 3.168 1.00 0.00 C ATOM 1031 O ARG A 67 3.370 7.500 2.486 1.00 0.00 O ATOM 1032 CB ARG A 67 2.983 6.761 5.662 1.00 0.00 C ATOM 1033 CG ARG A 67 3.369 5.283 5.719 1.00 0.00 C ATOM 1034 CD ARG A 67 3.368 4.806 7.171 1.00 0.00 C ATOM 1035 NE ARG A 67 4.251 3.613 7.303 1.00 0.00 N ATOM 1036 CZ ARG A 67 4.135 2.825 8.337 1.00 0.00 C ATOM 1037 NH1 ARG A 67 3.246 3.083 9.257 1.00 0.00 N ATOM 1038 NH2 ARG A 67 4.907 1.780 8.450 1.00 0.00 N ATOM 0 H ARG A 67 0.735 5.770 5.528 1.00 0.00 H new ATOM 0 HA ARG A 67 1.792 8.044 4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.877 7.381 5.598 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.460 7.049 6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.667 4.691 5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.356 5.138 5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.716 5.604 7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.354 4.557 7.482 1.00 0.00 H new ATOM 0 HE ARG A 67 4.947 3.412 6.585 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.642 3.900 9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.155 2.467 10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.601 1.579 7.730 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.817 1.164 9.258 1.00 0.00 H new ATOM 1052 N SER A 68 2.944 5.380 2.836 1.00 0.00 N ATOM 1053 CA SER A 68 3.690 5.000 1.602 1.00 0.00 C ATOM 1054 C SER A 68 3.193 3.651 1.075 1.00 0.00 C ATOM 1055 O SER A 68 2.568 2.886 1.782 1.00 0.00 O ATOM 1056 CB SER A 68 5.180 4.915 1.926 1.00 0.00 C ATOM 1057 OG SER A 68 5.384 3.933 2.933 1.00 0.00 O ATOM 0 H SER A 68 2.538 4.605 3.360 1.00 0.00 H new ATOM 0 HA SER A 68 3.523 5.754 0.833 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.745 4.657 1.030 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.546 5.884 2.266 1.00 0.00 H new ATOM 0 HG SER A 68 6.339 3.874 3.143 1.00 0.00 H new ATOM 1063 N ILE A 69 3.466 3.359 -0.169 1.00 0.00 N ATOM 1064 CA ILE A 69 3.016 2.072 -0.761 1.00 0.00 C ATOM 1065 C ILE A 69 3.629 0.897 0.003 1.00 0.00 C ATOM 1066 O ILE A 69 2.966 -0.076 0.301 1.00 0.00 O ATOM 1067 CB ILE A 69 3.482 2.011 -2.217 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.997 3.246 -2.974 1.00 0.00 C ATOM 1069 CG2 ILE A 69 2.914 0.772 -2.888 1.00 0.00 C ATOM 1070 CD1 ILE A 69 1.495 3.429 -2.761 1.00 0.00 C ATOM 0 H ILE A 69 3.986 3.965 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 69 1.929 2.010 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 69 4.571 1.975 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.533 4.130 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.212 3.140 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.249 0.734 -3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.260 -0.118 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.825 0.810 -2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.155 4.311 -3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.966 2.550 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.291 3.556 -1.698 1.00 0.00 H new ATOM 1082 N ARG A 70 4.894 0.973 0.311 1.00 0.00 N ATOM 1083 CA ARG A 70 5.549 -0.148 1.041 1.00 0.00 C ATOM 1084 C ARG A 70 4.837 -0.379 2.375 1.00 0.00 C ATOM 1085 O ARG A 70 4.638 -1.503 2.794 1.00 0.00 O ATOM 1086 CB ARG A 70 7.021 0.195 1.288 1.00 0.00 C ATOM 1087 CG ARG A 70 7.134 1.628 1.808 1.00 0.00 C ATOM 1088 CD ARG A 70 7.832 2.497 0.762 1.00 0.00 C ATOM 1089 NE ARG A 70 9.281 2.151 0.715 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.111 2.703 1.557 1.00 0.00 C ATOM 1091 NH1 ARG A 70 9.674 3.556 2.442 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.380 2.401 1.513 1.00 0.00 N ATOM 0 H ARG A 70 5.502 1.762 0.089 1.00 0.00 H new ATOM 0 HA ARG A 70 5.487 -1.057 0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.450 -0.499 2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.590 0.087 0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.143 2.027 2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.695 1.644 2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.378 2.342 -0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.707 3.552 1.008 1.00 0.00 H new ATOM 0 HE ARG A 70 9.624 1.483 0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.682 3.792 2.476 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.324 3.987 3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.722 1.734 0.821 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.030 2.832 2.171 1.00 0.00 H new ATOM 1106 N SER A 71 4.450 0.669 3.043 1.00 0.00 N ATOM 1107 CA SER A 71 3.749 0.501 4.347 1.00 0.00 C ATOM 1108 C SER A 71 2.424 -0.233 4.128 1.00 0.00 C ATOM 1109 O SER A 71 2.038 -1.083 4.907 1.00 0.00 O ATOM 1110 CB SER A 71 3.474 1.876 4.958 1.00 0.00 C ATOM 1111 OG SER A 71 2.966 1.711 6.276 1.00 0.00 O ATOM 0 H SER A 71 4.588 1.634 2.744 1.00 0.00 H new ATOM 0 HA SER A 71 4.377 -0.080 5.023 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.390 2.467 4.980 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.757 2.422 4.345 1.00 0.00 H new ATOM 0 HG SER A 71 2.251 2.362 6.435 1.00 0.00 H new ATOM 1117 N ILE A 72 1.720 0.092 3.078 1.00 0.00 N ATOM 1118 CA ILE A 72 0.422 -0.579 2.811 1.00 0.00 C ATOM 1119 C ILE A 72 0.639 -2.078 2.598 1.00 0.00 C ATOM 1120 O ILE A 72 -0.018 -2.903 3.202 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.202 0.031 1.559 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.447 1.524 1.788 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.526 -0.662 1.265 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -0.937 2.166 0.488 1.00 0.00 C ATOM 0 H ILE A 72 1.992 0.797 2.392 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.242 -0.438 3.664 1.00 0.00 H new ATOM 0 HB ILE A 72 0.473 -0.101 0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.186 1.665 2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.471 2.007 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.973 -0.228 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.352 -1.726 1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.202 -0.529 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.112 3.230 0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.183 2.037 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.866 1.690 0.175 1.00 0.00 H new ATOM 1136 N ASP A 73 1.555 -2.438 1.741 1.00 0.00 N ATOM 1137 CA ASP A 73 1.809 -3.883 1.489 1.00 0.00 C ATOM 1138 C ASP A 73 2.216 -4.561 2.796 1.00 0.00 C ATOM 1139 O ASP A 73 1.806 -5.664 3.095 1.00 0.00 O ATOM 1140 CB ASP A 73 2.944 -4.026 0.475 1.00 0.00 C ATOM 1141 CG ASP A 73 2.954 -5.449 -0.086 1.00 0.00 C ATOM 1142 OD1 ASP A 73 2.078 -6.216 0.280 1.00 0.00 O ATOM 1143 OD2 ASP A 73 3.838 -5.748 -0.872 1.00 0.00 O ATOM 0 H ASP A 73 2.137 -1.794 1.205 1.00 0.00 H new ATOM 0 HA ASP A 73 0.905 -4.350 1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.816 -3.306 -0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.900 -3.805 0.950 1.00 0.00 H new ATOM 1148 N ALA A 74 3.030 -3.904 3.572 1.00 0.00 N ATOM 1149 CA ALA A 74 3.484 -4.495 4.859 1.00 0.00 C ATOM 1150 C ALA A 74 2.307 -4.626 5.826 1.00 0.00 C ATOM 1151 O ALA A 74 2.215 -5.573 6.577 1.00 0.00 O ATOM 1152 CB ALA A 74 4.554 -3.592 5.472 1.00 0.00 C ATOM 0 H ALA A 74 3.403 -2.977 3.368 1.00 0.00 H new ATOM 0 HA ALA A 74 3.896 -5.487 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.892 -4.018 6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.398 -3.511 4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.136 -2.601 5.650 1.00 0.00 H new ATOM 1158 N PHE A 75 1.413 -3.678 5.828 1.00 0.00 N ATOM 1159 CA PHE A 75 0.255 -3.759 6.762 1.00 0.00 C ATOM 1160 C PHE A 75 -0.582 -5.001 6.447 1.00 0.00 C ATOM 1161 O PHE A 75 -0.938 -5.759 7.327 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.613 -2.514 6.613 1.00 0.00 C ATOM 1163 CG PHE A 75 -1.707 -2.540 7.653 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -1.479 -1.996 8.923 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -2.948 -3.111 7.348 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -2.494 -2.022 9.888 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -3.963 -3.138 8.312 1.00 0.00 C ATOM 1168 CZ PHE A 75 -3.735 -2.593 9.582 1.00 0.00 C ATOM 0 H PHE A 75 1.433 -2.854 5.227 1.00 0.00 H new ATOM 0 HA PHE A 75 0.627 -3.824 7.784 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.005 -1.617 6.731 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.047 -2.477 5.614 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.521 -1.557 9.158 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.123 -3.531 6.368 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.319 -1.602 10.867 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.921 -3.579 8.077 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.518 -2.613 10.326 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.905 -5.216 5.200 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.720 -6.404 4.838 1.00 0.00 C ATOM 1180 C VAL A 76 -0.931 -7.681 5.138 1.00 0.00 C ATOM 1181 O VAL A 76 -1.433 -8.600 5.755 1.00 0.00 O ATOM 1182 CB VAL A 76 -2.046 -6.342 3.350 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -2.778 -7.615 2.941 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -2.939 -5.131 3.075 1.00 0.00 C ATOM 0 H VAL A 76 -0.638 -4.618 4.418 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.642 -6.411 5.420 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.123 -6.251 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.013 -7.574 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.144 -8.479 3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.702 -7.703 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.173 -5.085 2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.863 -5.223 3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.418 -4.220 3.371 1.00 0.00 H new ATOM 1194 N VAL A 77 0.301 -7.745 4.713 1.00 0.00 N ATOM 1195 CA VAL A 77 1.118 -8.954 4.982 1.00 0.00 C ATOM 1196 C VAL A 77 1.428 -9.027 6.477 1.00 0.00 C ATOM 1197 O VAL A 77 1.429 -10.084 7.077 1.00 0.00 O ATOM 1198 CB VAL A 77 2.420 -8.855 4.190 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.362 -9.973 4.623 1.00 0.00 C ATOM 1200 CG2 VAL A 77 2.120 -8.991 2.697 1.00 0.00 C ATOM 0 H VAL A 77 0.775 -7.009 4.190 1.00 0.00 H new ATOM 0 HA VAL A 77 0.574 -9.850 4.682 1.00 0.00 H new ATOM 0 HB VAL A 77 2.889 -7.889 4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.292 -9.904 4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.575 -9.877 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.893 -10.938 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.049 -8.920 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.652 -9.957 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.445 -8.193 2.387 1.00 0.00 H new ATOM 1210 N GLY A 78 1.698 -7.903 7.076 1.00 0.00 N ATOM 1211 CA GLY A 78 2.019 -7.875 8.528 1.00 0.00 C ATOM 1212 C GLY A 78 0.853 -8.450 9.339 1.00 0.00 C ATOM 1213 O GLY A 78 1.045 -9.083 10.358 1.00 0.00 O ATOM 0 H GLY A 78 1.710 -6.993 6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.924 -8.452 8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.221 -6.851 8.844 1.00 0.00 H new ATOM 1217 N ALA A 79 -0.356 -8.213 8.906 1.00 0.00 N ATOM 1218 CA ALA A 79 -1.538 -8.722 9.665 1.00 0.00 C ATOM 1219 C ALA A 79 -1.647 -10.247 9.556 1.00 0.00 C ATOM 1220 O ALA A 79 -1.945 -10.922 10.522 1.00 0.00 O ATOM 1221 CB ALA A 79 -2.810 -8.085 9.102 1.00 0.00 C ATOM 0 H ALA A 79 -0.578 -7.689 8.059 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.414 -8.458 10.715 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.676 -8.453 9.653 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.750 -7.001 9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.912 -8.346 8.049 1.00 0.00 H new ATOM 1227 N THR A 80 -1.420 -10.795 8.397 1.00 0.00 N ATOM 1228 CA THR A 80 -1.524 -12.274 8.247 1.00 0.00 C ATOM 1229 C THR A 80 -0.234 -12.925 8.725 1.00 0.00 C ATOM 1230 O THR A 80 -0.236 -14.005 9.283 1.00 0.00 O ATOM 1231 CB THR A 80 -1.761 -12.622 6.775 1.00 0.00 C ATOM 1232 OG1 THR A 80 -0.609 -12.280 6.018 1.00 0.00 O ATOM 1233 CG2 THR A 80 -2.969 -11.841 6.252 1.00 0.00 C ATOM 0 H THR A 80 -1.168 -10.287 7.549 1.00 0.00 H new ATOM 0 HA THR A 80 -2.358 -12.643 8.845 1.00 0.00 H new ATOM 0 HB THR A 80 -1.954 -13.691 6.680 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.759 -12.504 5.076 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.137 -12.089 5.204 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.852 -12.105 6.834 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.779 -10.772 6.345 1.00 0.00 H new ATOM 1241 N THR A 81 0.869 -12.274 8.506 1.00 0.00 N ATOM 1242 CA THR A 81 2.169 -12.836 8.935 1.00 0.00 C ATOM 1243 C THR A 81 2.971 -11.747 9.647 1.00 0.00 C ATOM 1244 O THR A 81 2.784 -10.580 9.390 1.00 0.00 O ATOM 1245 CB THR A 81 2.929 -13.310 7.702 1.00 0.00 C ATOM 1246 OG1 THR A 81 2.474 -12.591 6.564 1.00 0.00 O ATOM 1247 CG2 THR A 81 2.685 -14.804 7.493 1.00 0.00 C ATOM 0 H THR A 81 0.924 -11.367 8.043 1.00 0.00 H new ATOM 0 HA THR A 81 2.014 -13.674 9.614 1.00 0.00 H new ATOM 0 HB THR A 81 3.996 -13.135 7.842 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.272 -11.667 6.820 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.229 -15.142 6.611 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.033 -15.355 8.367 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.619 -14.982 7.352 1.00 0.00 H new